data_1sse_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 1sse _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 301' ' ' GLU . . . . . . . . . . . . . 21.0 pt-20 . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 302' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -61.83 -64.76 0.84 Allowed 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.563 -0.71 . . . . 0.0 109.298 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 303' ' ' CYS . . . . . . . . . . . . . 19.9 t -76.54 -48.1 20.49 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.191 -0.943 . . . . 0.0 110.624 -179.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 16.2 m -51.7 -20.16 1.95 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.291 -0.881 . . . . 0.0 111.142 -178.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -102.97 -19.17 14.69 Favored 'General case' 0 N--CA 1.504 2.259 0 O-C-N 120.947 -1.096 . . . . 0.0 108.78 178.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 306' ' ' MET . . . . . . . . . . . . . 19.8 mmm -70.06 -23.44 63.08 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 107.662 -1.236 . . . . 0.0 107.662 177.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 307' ' ' ASN . . . . . 0.438 ' O ' ' C ' ' A' ' 308' ' ' GLN . 3.9 m-80 -91.82 -37.48 12.92 Favored 'General case' 0 N--CA 1.499 2.003 0 N-CA-C 106.931 -1.507 . . . . 0.0 106.931 178.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 308' ' ' GLN . . . . . 0.549 ' C ' ' H ' ' A' ' 310' ' ' CYS . 29.2 tt0 -35.64 -38.71 0.12 Allowed 'General case' 0 N--CA 1.506 2.347 0 CA-C-O 121.748 0.785 . . . . 0.0 109.255 178.321 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 309' ' ' VAL . . . . . 0.435 ' C ' ' H ' ' A' ' 311' ' ' GLY . 48.6 t -46.8 -12.42 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.775 0 CA-C-O 121.526 0.679 . . . . 0.0 109.759 179.377 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 310' ' ' CYS . . . . . 0.549 ' H ' ' C ' ' A' ' 308' ' ' GLN . 4.2 t -73.63 9.9 1.27 Allowed 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.512 -0.743 . . . . 0.0 109.547 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 311' ' ' GLY . . . . . 0.435 ' H ' ' C ' ' A' ' 309' ' ' VAL . . . . . . . . 0 N--CA 1.491 2.314 0 N-CA-C 109.412 -1.475 . . . . 0.0 109.412 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 593' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.233 0 N-CA-C 109.315 -1.514 . . . . 0.0 109.315 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 594' ' ' SER . . . . . . . . . . . . . 74.4 m -82.27 164.55 21.08 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.223 -1.163 . . . . 0.0 109.987 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 595' ' ' LEU . . . . . . . . . . . . . 5.4 tt -94.06 117.54 30.24 Favored 'General case' 0 C--N 1.299 -1.605 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 596' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -131.04 161.63 31.6 Favored 'General case' 0 N--CA 1.504 2.256 0 O-C-N 121.372 -0.83 . . . . 0.0 109.206 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 597' ' ' ARG . . . . . 0.419 ' H ' ' CB ' ' B' ' 600' ' ' GLU . 0.9 OUTLIER -109.99 -156.17 0.58 Allowed 'General case' 0 N--CA 1.504 2.228 0 CA-C-O 121.687 0.756 . . . . 0.0 111.216 -178.864 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 598' ' ' CYS . . . . . 0.53 ' O ' ' N ' ' B' ' 600' ' ' GLU . 7.1 p -59.02 -105.39 0.0 OUTLIER 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.734 -0.604 . . . . 0.0 111.777 -178.046 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 599' ' ' SER . . . . . 0.528 ' O ' ' N ' ' B' ' 602' ' ' TRP . 14.5 t -44.21 -18.12 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.853 0 CA-C-O 121.852 0.834 . . . . 0.0 109.593 -178.719 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 600' ' ' GLU . . . . . 0.53 ' N ' ' O ' ' B' ' 598' ' ' CYS . 5.4 tp10 -47.63 -38.13 14.09 Favored 'General case' 0 C--N 1.301 -1.508 0 CA-C-O 122.733 1.254 . . . . 0.0 108.108 179.182 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 601' ' ' ILE . . . . . 0.574 ' O ' ' N ' ' B' ' 604' ' ' ARG . 1.3 mp -69.47 -32.04 51.49 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.07 0 N-CA-C 107.423 -1.325 . . . . 0.0 107.423 -179.323 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 602' ' ' TRP . . . . . 0.528 ' N ' ' O ' ' B' ' 599' ' ' SER . 59.4 t-105 -45.46 -36.77 4.63 Favored 'General case' 0 N--CA 1.495 1.809 0 N-CA-C 107.228 -1.397 . . . . 0.0 107.228 179.266 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 603' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -68.12 -43.55 78.15 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 107.5 -1.296 . . . . 0.0 107.5 177.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 604' ' ' ARG . . . . . 0.574 ' N ' ' O ' ' B' ' 601' ' ' ILE . 4.7 tpp180 -55.76 -50.47 70.34 Favored 'General case' 0 N--CA 1.497 1.923 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 178.513 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 605' ' ' ILE . . . . . . . . . . . . . 25.7 mm -46.98 -46.6 8.44 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.993 0 O-C-N 121.65 -0.656 . . . . 0.0 109.922 178.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 606' ' ' THR . . . . . . . . . . . . . 75.1 p . . . . . 0 C--N 1.297 -1.682 0 O-C-N 120.618 -1.301 . . . . 0.0 110.493 -178.893 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 614' ' ' ILE . . . . . . . . . . . . . 77.3 mt . . . . . 0 N--CA 1.495 1.793 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 615' ' ' ASP . . . . . 0.459 ' OD1' ' N ' ' B' ' 615' ' ' ASP . 30.6 p-10 -119.9 117.52 28.33 Favored 'General case' 0 N--CA 1.495 1.8 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 179.364 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 616' ' ' VAL . . . . . . . . . . . . . 27.7 m -77.95 -16.79 14.02 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.389 -0.819 . . . . 0.0 108.988 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 617' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -75.07 -36.47 61.77 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.381 -0.824 . . . . 0.0 109.592 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 618' ' ' GLY . . . . . . . . . . . . . . . -67.27 -36.86 90.33 Favored Glycine 0 N--CA 1.488 2.162 0 N-CA-C 109.667 -1.373 . . . . 0.0 109.667 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 619' ' ' LEU . . . . . . . . . . . . . 3.5 mt -65.53 -29.34 69.96 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.016 -1.285 . . . . 0.0 108.109 179.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 620' ' ' CYS . . . . . . . . . . . . . 49.2 t -64.86 -52.72 55.09 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.599 -0.688 . . . . 0.0 110.702 -179.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 35.2 t -81.54 -2.78 51.2 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 120.433 -1.417 . . . . 0.0 110.123 -179.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 622' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -100.44 -43.29 6.27 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.134 -0.979 . . . . 0.0 109.273 178.235 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 623' ' ' LEU . . . . . . . . . . . . . 10.0 mp -87.51 -19.48 27.87 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 120.55 -1.344 . . . . 0.0 110.02 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 624' ' ' MET . . . . . 0.457 ' SD ' ' C ' ' B' ' 624' ' ' MET . 0.8 OUTLIER -75.84 -27.87 58.01 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 120.775 -1.203 . . . . 0.0 111.643 -178.043 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 625' ' ' ALA . . . . . . . . . . . . . . . -101.89 -5.1 25.15 Favored 'General case' 0 N--CA 1.506 2.371 0 O-C-N 120.631 -1.293 . . . . 0.0 109.184 179.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 626' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -95.65 -12.39 25.64 Favored 'General case' 0 N--CA 1.493 1.716 0 N-CA-C 105.451 -2.055 . . . . 0.0 105.451 175.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 627' ' ' ALA . . . . . . . . . . . . . . . -48.65 145.05 3.87 Favored 'General case' 0 N--CA 1.492 1.635 0 CA-C-N 115.318 -0.855 . . . . 0.0 111.082 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 628' ' ' LYS . . . . . . . . . . . . . 44.4 mtpt -126.02 89.22 2.98 Favored 'General case' 0 N--CA 1.497 1.9 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 179.052 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 629' ' ' CYS . . . . . . . . . . . . . 18.2 t -49.28 120.7 4.24 Favored 'General case' 0 N--CA 1.494 1.734 0 CA-C-O 122.309 1.052 . . . . 0.0 111.376 -178.326 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 630' ' ' SER . . . . . . . . . . . . . 31.1 m -143.28 161.31 38.63 Favored 'General case' 0 N--CA 1.495 1.781 0 N-CA-C 107.861 -1.162 . . . . 0.0 107.861 178.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 631' ' ' GLU . . . . . 0.55 ' C ' ' H ' ' B' ' 633' ' ' GLY . 43.3 mm-40 -62.23 -24.61 67.35 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.477 -1.39 . . . . 0.0 109.0 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 56.6 mtp180 -80.39 33.25 0.29 Allowed 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 107.363 -1.347 . . . . 0.0 107.363 177.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 633' ' ' GLY . . . . . 0.55 ' H ' ' C ' ' B' ' 631' ' ' GLU . . . 71.14 -170.55 47.38 Favored Glycine 0 N--CA 1.488 2.149 0 N-CA-C 107.731 -2.148 . . . . 0.0 107.731 -178.441 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 634' ' ' VAL . . . . . . . . . . . . . 7.5 p -73.88 139.04 20.0 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.451 0 O-C-N 120.601 -1.529 . . . . 0.0 109.276 179.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 26.0 m -133.25 136.13 55.45 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.13 0 O-C-N 121.175 -0.953 . . . . 0.0 109.669 179.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 636' ' ' ILE . . . . . . . . . . . . . 96.3 mt -134.97 154.74 37.0 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.847 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 637' ' ' ASN . . . . . 0.54 HD21 ' N ' ' B' ' 637' ' ' ASN . 0.9 OUTLIER -81.56 132.38 35.31 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.099 -1.001 . . . . 0.0 110.122 -179.803 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -52.38 -10.57 0.15 Allowed 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.653 -0.655 . . . . 0.0 110.309 179.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 639' ' ' GLU . . . . . 0.42 ' H ' ' C ' ' B' ' 637' ' ' ASN . 32.3 tt0 -77.72 -19.76 54.69 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.837 -1.164 . . . . 0.0 109.526 179.631 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 640' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -88.65 -37.09 15.86 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 120.596 -1.315 . . . . 0.0 108.674 177.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 641' ' ' VAL . . . . . . . . . . . . . 2.1 m -76.0 -27.31 18.07 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.745 0 O-C-N 121.079 -1.013 . . . . 0.0 109.059 179.001 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 642' ' ' GLN . . . . . . . . . . . . . 9.4 tm0? -76.9 -33.51 57.78 Favored 'General case' 0 N--CA 1.491 1.625 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 178.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 643' ' ' LEU . . . . . . . . . . . . . 90.0 mt -85.33 -21.76 28.79 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.233 -0.917 . . . . 0.0 108.679 178.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 644' ' ' ALA . . . . . . . . . . . . . . . -85.65 -28.06 24.99 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.97 -1.081 . . . . 0.0 108.284 178.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 645' ' ' LEU . . . . . . . . . . . . . 66.0 mt -87.59 -23.33 24.34 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.444 -0.785 . . . . 0.0 109.455 179.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 646' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -94.1 -13.24 27.02 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.984 -1.073 . . . . 0.0 110.846 -179.088 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 647' ' ' LYS . . . . . . . . . . . . . 18.5 ptmt -91.37 -9.33 45.21 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 120.654 -1.279 . . . . 0.0 109.906 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 648' ' ' HIS . . . . . . . . . . . . . 40.2 m-70 -111.76 18.13 19.22 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.453 -0.779 . . . . 0.0 109.479 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 649' ' ' MET . . . . . . . . . . . . . 40.3 tpp -96.15 99.7 11.42 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.209 -0.932 . . . . 0.0 109.386 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 650' ' ' ASN . . . . . . . . . . . . . 12.9 m120 . . . . . 0 N--CA 1.491 1.609 0 CA-C-O 118.024 -0.989 . . . . 0.0 109.432 179.933 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 301' ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 . . . . . 0 N--CA 1.477 0.908 0 N-CA-C 108.423 -0.955 . . . . 0.0 108.423 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 302' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -67.72 -58.46 4.6 Favored 'General case' 0 C--N 1.306 -1.291 0 C-N-CA 119.093 -1.043 . . . . 0.0 109.376 -178.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 303' ' ' CYS . . . . . 0.507 ' SG ' ' OG ' ' B' ' 599' ' ' SER . 58.3 m -79.29 -51.6 9.23 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.253 -0.904 . . . . 0.0 110.117 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 19.2 t -48.26 -26.77 2.12 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.35 -0.844 . . . . 0.0 111.076 -178.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . 24.3 mtpp -102.09 -13.89 17.32 Favored 'General case' 0 N--CA 1.502 2.166 0 O-C-N 120.873 -1.142 . . . . 0.0 108.972 178.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 306' ' ' MET . . . . . . . . . . . . . 5.7 tpp -72.4 -27.07 62.13 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 120.55 -1.344 . . . . 0.0 107.507 177.029 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 307' ' ' ASN . . . . . 0.486 ' O ' ' N ' ' A' ' 310' ' ' CYS . 1.2 p-10 -86.42 -38.15 17.64 Favored 'General case' 0 N--CA 1.498 1.944 0 N-CA-C 106.734 -1.58 . . . . 0.0 106.734 178.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 308' ' ' GLN . . . . . 0.524 ' O ' ' N ' ' A' ' 311' ' ' GLY . 9.0 tp-100 -37.36 -41.16 0.4 Allowed 'General case' 0 N--CA 1.503 2.224 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 178.735 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 309' ' ' VAL . . . . . . . . . . . . . 15.1 t -46.73 -16.74 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.961 0 CA-C-O 122.081 0.944 . . . . 0.0 109.05 179.155 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 310' ' ' CYS . . . . . 0.515 ' N ' ' O ' ' A' ' 308' ' ' GLN . 54.5 m -93.1 -20.61 20.35 Favored 'General case' 0 C--N 1.303 -1.414 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.907 -179.162 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 311' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' A' ' 308' ' ' GLN . . . . . . . . 0 N--CA 1.491 2.338 0 N-CA-C 109.462 -1.455 . . . . 0.0 109.462 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 593' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.148 0 N-CA-C 108.976 -1.65 . . . . 0.0 108.976 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 594' ' ' SER . . . . . . . . . . . . . 69.6 m -108.77 164.51 12.32 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.444 -1.033 . . . . 0.0 110.0 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 595' ' ' LEU . . . . . 0.521 ' CD1' ' N ' ' B' ' 595' ' ' LEU . 8.4 mp -94.28 117.99 30.92 Favored 'General case' 0 C--N 1.3 -1.565 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 596' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -128.93 146.67 50.89 Favored 'General case' 0 N--CA 1.505 2.279 0 O-C-N 121.343 -0.848 . . . . 0.0 108.85 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 597' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -86.67 -164.99 1.15 Allowed 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.259 -0.9 . . . . 0.0 109.858 -179.405 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 598' ' ' CYS . . . . . 0.493 ' O ' ' N ' ' B' ' 600' ' ' GLU . 5.2 p -67.93 -88.38 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.3 -0.875 . . . . 0.0 111.142 -178.436 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 599' ' ' SER . . . . . 0.507 ' OG ' ' SG ' ' A' ' 303' ' ' CYS . 1.4 m -44.69 -21.35 0.05 Allowed 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.042 -1.036 . . . . 0.0 109.206 -179.432 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 600' ' ' GLU . . . . . 0.493 ' N ' ' O ' ' B' ' 598' ' ' CYS . 5.0 tp10 -46.63 -39.92 12.12 Favored 'General case' 0 C--N 1.299 -1.605 0 CA-C-O 122.332 1.063 . . . . 0.0 108.633 179.354 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 601' ' ' ILE . . . . . 0.558 ' O ' ' N ' ' B' ' 604' ' ' ARG . 1.4 mp -69.89 -32.0 50.14 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.065 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 -178.54 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 602' ' ' TRP . . . . . 0.461 ' N ' ' O ' ' B' ' 599' ' ' SER . 17.7 t-105 -45.23 -38.15 5.22 Favored 'General case' 0 N--CA 1.493 1.698 0 N-CA-C 107.452 -1.314 . . . . 0.0 107.452 179.399 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 603' ' ' ASP . . . . . 0.432 ' O ' ' OG1' ' B' ' 606' ' ' THR . 39.9 t0 -68.07 -43.22 79.06 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 107.637 -1.246 . . . . 0.0 107.637 177.394 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 604' ' ' ARG . . . . . 0.558 ' N ' ' O ' ' B' ' 601' ' ' ILE . 25.4 mmt180 -55.4 -31.41 61.81 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.115 -0.991 . . . . 0.0 108.676 178.651 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 605' ' ' ILE . . . . . 0.401 ' O ' ' C ' ' B' ' 606' ' ' THR . 51.9 mt -80.76 -45.83 21.29 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.93 0 O-C-N 121.532 -0.73 . . . . 0.0 110.416 179.642 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 606' ' ' THR . . . . . 0.432 ' OG1' ' O ' ' B' ' 603' ' ' ASP . 16.4 p . . . . . 0 N--CA 1.497 1.92 0 O-C-N 121.28 -0.887 . . . . 0.0 110.189 -179.032 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 614' ' ' ILE . . . . . . . . . . . . . 5.0 mt . . . . . 0 N--CA 1.498 1.932 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 615' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 57.59 90.64 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.915 -1.116 . . . . 0.0 109.071 -179.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 616' ' ' VAL . . . . . . . . . . . . . 47.0 t -78.36 -16.74 13.77 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 CA-C-O 121.755 0.788 . . . . 0.0 108.94 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 617' ' ' ASP . . . . . 0.518 ' O ' ' SG ' ' B' ' 620' ' ' CYS . 1.4 m-20 -74.61 -32.72 62.42 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.427 -0.795 . . . . 0.0 109.301 179.516 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 618' ' ' GLY . . . . . 0.423 ' O ' ' OE1' ' B' ' 622' ' ' GLU . . . -68.68 -34.52 78.46 Favored Glycine 0 N--CA 1.49 2.233 0 N-CA-C 109.672 -1.371 . . . . 0.0 109.672 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 619' ' ' LEU . . . . . . . . . . . . . 1.9 mt -68.17 -28.98 67.75 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.025 -1.28 . . . . 0.0 108.547 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 620' ' ' CYS . . . . . 0.581 ' SG ' ' N ' ' B' ' 621' ' ' SER . 1.5 p -65.99 -47.56 74.14 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.236 -0.915 . . . . 0.0 110.479 -179.65 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 621' ' ' SER . . . . . 0.581 ' N ' ' SG ' ' B' ' 620' ' ' CYS . 34.9 t -83.01 -2.12 54.43 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 120.489 -1.382 . . . . 0.0 110.423 -179.344 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 622' ' ' GLU . . . . . 0.492 ' OE2' ' CE1' ' B' ' 648' ' ' HIS . 34.0 mt-10 -99.78 -43.99 6.24 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.007 -1.058 . . . . 0.0 109.135 177.718 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 623' ' ' LEU . . . . . . . . . . . . . 8.3 mp -86.43 -20.76 27.7 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 120.994 -1.066 . . . . 0.0 110.277 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 624' ' ' MET . . . . . . . . . . . . . 10.3 ttt -72.33 -28.76 63.26 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 120.845 -1.159 . . . . 0.0 111.818 -178.153 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 625' ' ' ALA . . . . . . . . . . . . . . . -105.32 -4.74 21.19 Favored 'General case' 0 N--CA 1.505 2.322 0 O-C-N 120.694 -1.254 . . . . 0.0 109.632 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 626' ' ' LYS . . . . . . . . . . . . . 53.7 mmtt -91.29 -13.72 32.14 Favored 'General case' 0 N--CA 1.492 1.636 0 N-CA-C 106.336 -1.727 . . . . 0.0 106.336 176.358 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 627' ' ' ALA . . . . . . . . . . . . . . . -45.15 136.18 5.16 Favored 'General case' 0 N--CA 1.491 1.618 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.171 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 628' ' ' LYS . . . . . 0.507 ' HZ3' ' CB ' ' B' ' 628' ' ' LYS . 5.2 mtpm? -113.52 92.05 3.86 Favored 'General case' 0 N--CA 1.498 1.968 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 178.362 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 629' ' ' CYS . . . . . . . . . . . . . 81.6 m -53.53 119.41 4.83 Favored 'General case' 0 N--CA 1.493 1.694 0 CA-C-O 122.459 1.123 . . . . 0.0 111.829 -177.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 630' ' ' SER . . . . . 0.427 ' HG ' ' N ' ' B' ' 631' ' ' GLU . 48.2 t -142.88 160.06 41.05 Favored 'General case' 0 N--CA 1.493 1.72 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 178.316 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 631' ' ' GLU . . . . . 0.559 ' C ' ' H ' ' B' ' 633' ' ' GLY . 40.8 mt-10 -64.28 -22.46 66.96 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.34 -1.475 . . . . 0.0 109.365 -179.686 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 632' ' ' ARG . . . . . 0.525 ' CG ' HH11 ' B' ' 632' ' ' ARG . 0.3 OUTLIER -79.47 33.68 0.25 Allowed 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 107.572 -1.27 . . . . 0.0 107.572 178.125 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 633' ' ' GLY . . . . . 0.559 ' H ' ' C ' ' B' ' 631' ' ' GLU . . . 73.1 -170.67 51.82 Favored Glycine 0 N--CA 1.49 2.285 0 N-CA-C 107.531 -2.227 . . . . 0.0 107.531 -178.489 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 634' ' ' VAL . . . . . . . . . . . . . 7.1 p -77.32 141.16 15.96 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.43 0 O-C-N 120.423 -1.634 . . . . 0.0 109.631 179.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 33.6 m -135.87 140.34 44.36 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.965 0 O-C-N 121.23 -0.919 . . . . 0.0 109.24 179.116 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 636' ' ' ILE . . . . . . . . . . . . . 95.8 mt -133.75 154.67 38.86 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.893 0 O-C-N 121.439 -0.788 . . . . 0.0 109.209 -179.383 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 637' ' ' ASN . . . . . 0.522 ' O ' ' N ' ' B' ' 639' ' ' GLU . 0.7 OUTLIER -85.84 129.47 34.82 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.095 -1.003 . . . . 0.0 109.819 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 638' ' ' ALA . . . . . 0.52 ' C ' HE21 ' B' ' 642' ' ' GLN . . . -46.83 -10.64 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.759 -0.588 . . . . 0.0 110.827 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 639' ' ' GLU . . . . . 0.522 ' N ' ' O ' ' B' ' 637' ' ' ASN . 34.3 tt0 -78.27 -18.54 55.16 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.887 -1.133 . . . . 0.0 110.089 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 640' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -86.54 -50.92 6.49 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 120.359 -1.463 . . . . 0.0 108.724 178.066 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 641' ' ' VAL . . . . . 0.408 HG11 ' H ' ' B' ' 642' ' ' GLN . 0.8 OUTLIER -60.82 -46.66 95.81 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 120.851 -1.156 . . . . 0.0 108.578 178.671 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 642' ' ' GLN . . . . . 0.52 HE21 ' C ' ' B' ' 638' ' ' ALA . 33.4 mt-30 -57.98 -36.41 72.58 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.0 -1.063 . . . . 0.0 109.52 -179.758 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 643' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -83.5 -20.3 34.21 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.17 -0.957 . . . . 0.0 108.65 178.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 644' ' ' ALA . . . . . . . . . . . . . . . -87.54 -33.14 19.04 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.905 -1.122 . . . . 0.0 108.913 178.385 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 645' ' ' LEU . . . . . 0.534 ' O ' ' N ' ' B' ' 647' ' ' LYS . 34.7 mt -84.72 -69.54 0.64 Allowed 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.156 -0.965 . . . . 0.0 109.185 179.317 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 646' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -45.9 -14.23 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.215 -0.928 . . . . 0.0 110.367 -179.182 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 647' ' ' LYS . . . . . 0.534 ' N ' ' O ' ' B' ' 645' ' ' LEU . 79.0 tttt -97.4 -9.82 26.64 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.003 -1.061 . . . . 0.0 109.709 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 648' ' ' HIS . . . . . 0.523 ' HD1' ' C ' ' B' ' 647' ' ' LYS . 0.3 OUTLIER -111.25 12.77 21.74 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.422 -0.799 . . . . 0.0 109.49 -179.888 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 649' ' ' MET . . . . . . . . . . . . . 36.9 tpp -96.92 133.57 41.38 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.189 -0.945 . . . . 0.0 109.447 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 650' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 . . . . . 0 N--CA 1.49 1.555 0 CA-C-O 118.057 -0.973 . . . . 0.0 109.47 179.968 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 301' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 . . . . . 0 N--CA 1.491 1.619 0 CA-C-O 121.677 0.751 . . . . 0.0 109.317 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 302' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -65.02 -58.73 5.34 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.279 -0.888 . . . . 0.0 109.512 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 303' ' ' CYS . . . . . . . . . . . . . 60.9 m -84.75 -42.87 14.79 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.348 -0.845 . . . . 0.0 110.396 -179.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 40.2 t -54.2 -25.13 21.19 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.22 -0.925 . . . . 0.0 110.0 -179.413 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . 9.7 tmtt? -97.09 -22.18 16.93 Favored 'General case' 0 N--CA 1.5 2.068 0 N-CA-C 107.046 -1.464 . . . . 0.0 107.046 178.22 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 306' ' ' MET . . . . . . . . . . . . . 15.3 ttt -70.45 -19.61 62.95 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 106.941 -1.503 . . . . 0.0 106.941 176.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 307' ' ' ASN . . . . . 0.437 ' O ' ' C ' ' A' ' 308' ' ' GLN . 87.9 m-20 -82.96 -38.29 22.94 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 106.076 -1.824 . . . . 0.0 106.076 178.339 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 308' ' ' GLN . . . . . 0.534 ' O ' ' N ' ' A' ' 310' ' ' CYS . 6.5 tp-100 -36.99 -41.41 0.34 Allowed 'General case' 0 N--CA 1.507 2.415 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 178.605 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 309' ' ' VAL . . . . . . . . . . . . . 10.3 m -43.03 -20.36 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.501 2.122 0 CA-C-O 122.055 0.931 . . . . 0.0 109.104 178.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 310' ' ' CYS . . . . . 0.534 ' N ' ' O ' ' A' ' 308' ' ' GLN . 67.9 m -102.02 -31.67 10.54 Favored 'General case' 0 N--CA 1.488 1.466 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.564 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 311' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 308' ' ' GLN . . . . . . . . 0 N--CA 1.492 2.394 0 N-CA-C 109.695 -1.362 . . . . 0.0 109.695 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 593' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.299 0 N-CA-C 109.192 -1.563 . . . . 0.0 109.192 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 594' ' ' SER . . . . . . . . . . . . . 60.6 m -81.16 166.61 20.5 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.194 -1.18 . . . . 0.0 110.162 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 595' ' ' LEU . . . . . 0.552 ' CD2' ' N ' ' B' ' 595' ' ' LEU . 3.6 mm? -94.2 125.53 38.9 Favored 'General case' 0 C--N 1.3 -1.581 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 179.591 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 596' ' ' LEU . . . . . . . . . . . . . 1.2 mp -128.27 154.33 46.01 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.295 -0.878 . . . . 0.0 109.623 -179.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 597' ' ' ARG . . . . . . . . . . . . . 86.3 mtt180 -102.14 -143.99 0.35 Allowed 'General case' 0 N--CA 1.501 2.105 0 O-C-N 121.473 -0.767 . . . . 0.0 111.42 -178.103 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 598' ' ' CYS . . . . . 0.593 ' SG ' ' N ' ' B' ' 599' ' ' SER . 12.5 t -75.98 -100.21 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.615 -0.678 . . . . 0.0 111.217 -178.217 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 599' ' ' SER . . . . . 0.593 ' N ' ' SG ' ' B' ' 598' ' ' CYS . 91.0 p -44.3 -19.89 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.951 0 CA-C-O 122.149 0.976 . . . . 0.0 109.377 -179.045 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 600' ' ' GLU . . . . . 0.517 ' N ' ' O ' ' B' ' 598' ' ' CYS . 11.9 tp10 -47.31 -40.28 16.65 Favored 'General case' 0 C--N 1.3 -1.557 0 CA-C-O 122.668 1.223 . . . . 0.0 108.392 178.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 601' ' ' ILE . . . . . 0.576 ' O ' ' N ' ' B' ' 604' ' ' ARG . 1.4 mp -68.87 -31.72 51.77 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.077 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -178.804 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 602' ' ' TRP . . . . . 0.464 ' N ' ' O ' ' B' ' 599' ' ' SER . 59.1 t-105 -45.37 -39.95 7.41 Favored 'General case' 0 N--CA 1.494 1.738 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 179.519 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 603' ' ' ASP . . . . . 0.424 ' O ' ' OG1' ' B' ' 606' ' ' THR . 14.6 t70 -65.13 -42.6 93.73 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 107.432 -1.322 . . . . 0.0 107.432 177.351 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 604' ' ' ARG . . . . . 0.576 ' N ' ' O ' ' B' ' 601' ' ' ILE . 0.2 OUTLIER -56.24 -43.9 79.1 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.23 -0.918 . . . . 0.0 109.183 178.65 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 605' ' ' ILE . . . . . . . . . . . . . 19.8 mm -58.66 -47.17 89.61 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.922 0 O-C-N 121.431 -0.793 . . . . 0.0 110.246 179.259 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 606' ' ' THR . . . . . 0.424 ' OG1' ' O ' ' B' ' 603' ' ' ASP . 68.7 p . . . . . 0 N--CA 1.493 1.706 0 O-C-N 120.747 -1.221 . . . . 0.0 110.394 -179.13 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 614' ' ' ILE . . . . . 0.486 ' CG2' ' N ' ' B' ' 615' ' ' ASP . 89.3 mt . . . . . 0 N--CA 1.497 1.889 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 615' ' ' ASP . . . . . 0.486 ' N ' ' CG2' ' B' ' 614' ' ' ILE . 65.1 m-20 -113.28 118.37 34.44 Favored 'General case' 0 N--CA 1.492 1.635 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 179.088 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 616' ' ' VAL . . . . . . . . . . . . . 79.4 t -76.18 -19.04 15.23 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.558 0 O-C-N 121.234 -0.916 . . . . 0.0 108.953 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 617' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.89 -41.05 23.69 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.324 -0.86 . . . . 0.0 110.072 -179.553 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 618' ' ' GLY . . . . . . . . . . . . . . . -69.24 -49.32 40.39 Favored Glycine 0 N--CA 1.489 2.215 0 N-CA-C 109.099 -1.601 . . . . 0.0 109.099 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 619' ' ' LEU . . . . . 0.445 ' CD1' ' C ' ' B' ' 619' ' ' LEU . 1.0 OUTLIER -64.36 -20.01 65.84 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.245 -1.15 . . . . 0.0 108.938 179.685 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 620' ' ' CYS . . . . . . . . . . . . . 10.2 t -72.69 -43.79 62.62 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.103 -0.998 . . . . 0.0 109.208 179.325 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 17.2 m -80.37 -0.34 36.51 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.016 -1.053 . . . . 0.0 108.661 179.144 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 622' ' ' GLU . . . . . . . . . . . . . 58.5 tt0 -97.52 -45.31 6.47 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.415 -0.803 . . . . 0.0 109.326 177.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 623' ' ' LEU . . . . . . . . . . . . . 9.6 mp -85.44 -27.92 25.41 Favored 'General case' 0 N--CA 1.501 2.08 0 O-C-N 120.614 -1.304 . . . . 0.0 109.858 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 624' ' ' MET . . . . . . . . . . . . . 23.7 ttm -64.09 -32.45 74.01 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.255 -0.903 . . . . 0.0 112.239 -177.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 625' ' ' ALA . . . . . . . . . . . . . . . -105.02 -5.87 20.54 Favored 'General case' 0 N--CA 1.507 2.382 0 O-C-N 120.818 -1.176 . . . . 0.0 110.001 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 626' ' ' LYS . . . . . . . . . . . . . 58.5 mmtt -88.67 -10.0 50.05 Favored 'General case' 0 N--CA 1.493 1.687 0 N-CA-C 106.041 -1.837 . . . . 0.0 106.041 176.175 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 627' ' ' ALA . . . . . . . . . . . . . . . -45.52 137.26 5.15 Favored 'General case' 0 N--CA 1.491 1.595 0 CA-C-N 115.246 -0.888 . . . . 0.0 111.435 -179.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 628' ' ' LYS . . . . . . . . . . . . . 27.7 mmtp -115.11 92.21 3.86 Favored 'General case' 0 N--CA 1.499 2.009 0 N-CA-C 107.915 -1.143 . . . . 0.0 107.915 178.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 629' ' ' CYS . . . . . . . . . . . . . 96.3 m -54.57 124.28 15.74 Favored 'General case' 0 N--CA 1.493 1.679 0 CA-C-O 122.491 1.139 . . . . 0.0 112.313 -177.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 630' ' ' SER . . . . . . . . . . . . . 43.4 t -143.04 159.24 42.63 Favored 'General case' 0 N--CA 1.491 1.61 0 N-CA-C 107.163 -1.421 . . . . 0.0 107.163 177.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 631' ' ' GLU . . . . . 0.545 ' H ' ' CD ' ' B' ' 631' ' ' GLU . 1.3 pm0 -63.27 -19.77 64.86 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.279 -1.513 . . . . 0.0 109.324 -179.576 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 90.9 mtt180 -81.63 33.86 0.37 Allowed 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 107.395 -1.335 . . . . 0.0 107.395 177.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 633' ' ' GLY . . . . . 0.533 ' H ' ' C ' ' B' ' 631' ' ' GLU . . . 73.65 -169.34 53.52 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 107.747 -2.141 . . . . 0.0 107.747 -178.448 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 634' ' ' VAL . . . . . . . . . . . . . 7.6 p -77.55 144.36 11.57 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.416 0 O-C-N 120.476 -1.602 . . . . 0.0 109.445 179.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 28.2 m -138.11 141.17 38.93 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.0 0 O-C-N 121.065 -1.022 . . . . 0.0 109.394 179.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 636' ' ' ILE . . . . . . . . . . . . . 88.4 mt -131.6 151.69 35.85 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.949 0 O-C-N 121.505 -0.747 . . . . 0.0 109.426 -179.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 637' ' ' ASN . . . . . 0.407 ' O ' ' N ' ' B' ' 639' ' ' GLU . 28.1 m-20 -86.39 133.23 33.8 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.214 -0.929 . . . . 0.0 109.455 179.794 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -48.92 -11.02 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.735 -0.603 . . . . 0.0 111.766 -179.14 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 639' ' ' GLU . . . . . 0.407 ' N ' ' O ' ' B' ' 637' ' ' ASN . 7.7 pt-20 -85.76 -21.81 28.02 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 120.543 -1.348 . . . . 0.0 111.338 -178.783 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 640' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -82.83 -38.82 22.52 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 120.228 -1.545 . . . . 0.0 108.051 178.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 641' ' ' VAL . . . . . 0.536 ' O ' ' N ' ' B' ' 644' ' ' ALA . 7.0 p -71.91 -51.52 30.81 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.633 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 177.65 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 642' ' ' GLN . . . . . 0.407 ' N ' ' CG1' ' B' ' 641' ' ' VAL . 67.1 tp60 -48.73 -31.76 7.41 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.735 -1.228 . . . . 0.0 108.837 179.748 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 643' ' ' LEU . . . . . . . . . . . . . 68.8 mt -84.17 -17.71 39.06 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.081 -1.012 . . . . 0.0 108.872 177.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 644' ' ' ALA . . . . . 0.536 ' N ' ' O ' ' B' ' 641' ' ' VAL . . . -87.91 -32.77 18.77 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 120.828 -1.17 . . . . 0.0 109.351 178.536 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 645' ' ' LEU . . . . . . . . . . . . . 64.2 mt -87.24 -24.57 24.34 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.163 -0.96 . . . . 0.0 110.001 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 646' ' ' ASN . . . . . . . . . . . . . 37.9 t30 -91.23 -12.67 34.57 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 120.886 -1.133 . . . . 0.0 110.313 -179.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 647' ' ' LYS . . . . . . . . . . . . . 39.5 mttp -89.43 -4.79 57.86 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 120.877 -1.139 . . . . 0.0 109.248 179.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 648' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -112.84 18.97 17.77 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.442 -0.786 . . . . 0.0 109.58 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 649' ' ' MET . . . . . . . . . . . . . 44.2 mtt -96.29 122.74 39.49 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.143 -0.973 . . . . 0.0 109.345 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 650' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 . . . . . 0 N--CA 1.49 1.546 0 CA-C-O 118.002 -0.999 . . . . 0.0 109.464 -179.966 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 301' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 . . . . . 0 N--CA 1.487 1.414 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 302' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -63.03 -66.13 0.59 Allowed 'General case' 0 C--N 1.302 -1.467 0 C-N-CA 119.711 -0.796 . . . . 0.0 109.1 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 303' ' ' CYS . . . . . . . . . . . . . 16.5 t -83.4 -46.09 12.93 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.331 -0.856 . . . . 0.0 109.855 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 49.2 m -48.66 -26.59 2.36 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.355 -0.841 . . . . 0.0 110.17 -179.463 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . 58.3 tttm -102.26 -14.91 16.79 Favored 'General case' 0 N--CA 1.502 2.131 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 178.275 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 306' ' ' MET . . . . . . . . . . . . . 2.4 tpp -71.59 -25.74 62.31 Favored 'General case' 0 C--N 1.301 -1.537 0 N-CA-C 107.579 -1.267 . . . . 0.0 107.579 176.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 307' ' ' ASN . . . . . 0.433 ' O ' ' C ' ' A' ' 308' ' ' GLN . 88.7 m-20 -87.21 -39.28 15.6 Favored 'General case' 0 N--CA 1.494 1.734 0 N-CA-C 106.679 -1.6 . . . . 0.0 106.679 178.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 308' ' ' GLN . . . . . 0.544 ' C ' ' H ' ' A' ' 310' ' ' CYS . 8.5 tp-100 -36.27 -39.3 0.18 Allowed 'General case' 0 N--CA 1.505 2.277 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.486 178.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 309' ' ' VAL . . . . . 0.418 ' CG2' ' SD ' ' B' ' 624' ' ' MET . 38.6 t -46.85 -13.01 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.891 0 C-N-CA 119.905 -0.718 . . . . 0.0 109.644 179.46 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 310' ' ' CYS . . . . . 0.544 ' H ' ' C ' ' A' ' 308' ' ' GLN . 8.9 t -72.24 -47.95 46.48 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.391 -0.818 . . . . 0.0 109.541 179.343 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 311' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.396 0 N-CA-C 109.672 -1.371 . . . . 0.0 109.672 -179.916 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 593' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.213 0 N-CA-C 109.134 -1.586 . . . . 0.0 109.134 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 594' ' ' SER . . . . . . . . . . . . . 71.9 m -101.75 164.61 11.65 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.321 -1.105 . . . . 0.0 110.001 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 595' ' ' LEU . . . . . 0.492 ' N ' ' CD1' ' B' ' 595' ' ' LEU . 7.7 mp -95.83 120.05 35.4 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 596' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -128.12 155.47 44.37 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.432 -0.793 . . . . 0.0 109.407 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 597' ' ' ARG . . . . . . . . . . . . . 66.7 mtm180 -87.78 -174.66 4.84 Favored 'General case' 0 N--CA 1.492 1.67 0 CA-C-O 121.97 0.891 . . . . 0.0 110.896 -179.092 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 598' ' ' CYS . . . . . 0.526 ' O ' ' N ' ' B' ' 600' ' ' GLU . 4.5 p -53.74 -103.07 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.73 0 CA-C-O 121.48 0.657 . . . . 0.0 111.902 -177.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 6.5 t -43.46 -17.86 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.449 -0.782 . . . . 0.0 110.613 -178.116 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 600' ' ' GLU . . . . . 0.526 ' N ' ' O ' ' B' ' 598' ' ' CYS . 41.3 tt0 -53.43 -32.32 49.29 Favored 'General case' 0 C--N 1.302 -1.479 0 C-N-CA 118.62 -1.232 . . . . 0.0 107.954 -179.527 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 601' ' ' ILE . . . . . 0.572 ' O ' ' N ' ' B' ' 604' ' ' ARG . 1.0 OUTLIER -70.62 -40.29 76.95 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.294 0 N-CA-C 107.493 -1.299 . . . . 0.0 107.493 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 602' ' ' TRP . . . . . 0.4 ' C ' ' O ' ' B' ' 601' ' ' ILE . 27.2 t-105 -41.43 -38.27 1.22 Allowed 'General case' 0 N--CA 1.496 1.83 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 603' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -70.62 -41.79 71.77 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 178.079 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 604' ' ' ARG . . . . . 0.572 ' N ' ' O ' ' B' ' 601' ' ' ILE . 4.4 tpp180 -57.03 -22.31 37.86 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.603 -0.685 . . . . 0.0 110.529 179.667 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 605' ' ' ILE . . . . . . . . . . . . . 3.6 mt -88.68 -35.79 8.27 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.147 0 O-C-N 120.822 -1.174 . . . . 0.0 110.621 -177.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 606' ' ' THR . . . . . . . . . . . . . 57.9 p . . . . . 0 N--CA 1.492 1.641 0 O-C-N 121.425 -0.797 . . . . 0.0 110.185 -178.935 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 614' ' ' ILE . . . . . 0.419 ' CG2' ' N ' ' B' ' 615' ' ' ASP . 86.2 mt . . . . . 0 N--CA 1.492 1.658 0 CA-C-O 121.729 0.776 . . . . 0.0 110.853 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 615' ' ' ASP . . . . . 0.419 ' N ' ' CG2' ' B' ' 614' ' ' ILE . 0.9 OUTLIER -115.45 107.65 15.46 Favored 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 107.894 -1.15 . . . . 0.0 107.894 179.176 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 616' ' ' VAL . . . . . . . . . . . . . 4.2 p -75.22 -18.59 16.07 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.523 0 O-C-N 121.232 -0.918 . . . . 0.0 108.8 -179.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 617' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -81.05 -38.55 27.21 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.439 -0.788 . . . . 0.0 109.832 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 618' ' ' GLY . . . . . . . . . . . . . . . -70.06 -41.2 71.54 Favored Glycine 0 N--CA 1.489 2.226 0 N-CA-C 109.183 -1.567 . . . . 0.0 109.183 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 619' ' ' LEU . . . . . 0.47 ' CD1' ' C ' ' B' ' 619' ' ' LEU . 0.6 OUTLIER -68.47 -22.82 64.54 Favored 'General case' 0 N--CA 1.486 1.346 0 O-C-N 121.219 -1.165 . . . . 0.0 108.063 179.44 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 620' ' ' CYS . . . . . . . . . . . . . 44.6 t -69.66 -49.2 55.97 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.42 -0.8 . . . . 0.0 110.177 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 30.2 t -79.21 -4.96 53.09 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 120.913 -1.117 . . . . 0.0 109.61 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 622' ' ' GLU . . . . . . . . . . . . . 38.5 tp10 -101.39 -34.01 9.77 Favored 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 108.377 -0.972 . . . . 0.0 108.377 177.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 623' ' ' LEU . . . . . . . . . . . . . 5.7 tt -89.63 -28.88 19.22 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 120.99 -1.069 . . . . 0.0 109.56 179.446 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 624' ' ' MET . . . . . 0.418 ' SD ' ' CG2' ' A' ' 309' ' ' VAL . 0.3 OUTLIER -77.74 -30.0 51.39 Favored 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 113.352 0.871 . . . . 0.0 113.352 -177.26 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 625' ' ' ALA . . . . . . . . . . . . . . . -96.02 -3.62 44.57 Favored 'General case' 0 N--CA 1.507 2.383 0 O-C-N 120.446 -1.408 . . . . 0.0 109.643 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 626' ' ' LYS . . . . . . . . . . . . . 4.2 tppt? -91.92 -2.75 56.64 Favored 'General case' 0 N--CA 1.492 1.651 0 N-CA-C 105.92 -1.882 . . . . 0.0 105.92 175.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 627' ' ' ALA . . . . . . . . . . . . . . . -52.93 147.88 8.56 Favored 'General case' 0 N--CA 1.494 1.741 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.769 -179.101 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 628' ' ' LYS . . . . . . . . . . . . . 84.1 mttt -121.98 88.72 2.99 Favored 'General case' 0 N--CA 1.496 1.862 0 N-CA-C 107.845 -1.168 . . . . 0.0 107.845 178.539 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 629' ' ' CYS . . . . . . . . . . . . . 16.6 t -51.81 137.97 24.85 Favored 'General case' 0 N--CA 1.492 1.652 0 CA-C-O 122.235 1.017 . . . . 0.0 111.704 -178.005 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 630' ' ' SER . . . . . . . . . . . . . 4.6 t -142.47 162.74 34.69 Favored 'General case' 0 N--CA 1.493 1.717 0 N-CA-C 107.526 -1.287 . . . . 0.0 107.526 178.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 631' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -67.19 -32.35 73.37 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.468 -1.395 . . . . 0.0 109.996 -179.274 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 74.5 mtm180 -72.57 -16.14 61.75 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.73 -1.231 . . . . 0.0 108.511 179.19 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 633' ' ' GLY . . . . . . . . . . . . . . . 134.86 -177.27 19.42 Favored Glycine 0 N--CA 1.497 2.73 0 N-CA-C 108.569 -1.812 . . . . 0.0 108.569 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 634' ' ' VAL . . . . . . . . . . . . . 7.2 p -75.46 140.85 16.69 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.389 0 O-C-N 120.598 -1.531 . . . . 0.0 109.769 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 11.6 m -136.14 140.33 44.04 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.976 0 O-C-N 121.217 -0.927 . . . . 0.0 108.594 178.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 636' ' ' ILE . . . . . . . . . . . . . 64.3 mt -136.2 153.36 31.46 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.909 0 O-C-N 121.537 -0.727 . . . . 0.0 109.329 -179.004 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 637' ' ' ASN . . . . . . . . . . . . . 15.8 m-20 -83.76 138.3 33.33 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.292 -0.88 . . . . 0.0 109.102 179.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -60.57 -10.77 5.58 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.383 -0.823 . . . . 0.0 110.261 -179.402 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 639' ' ' GLU . . . . . . . . . . . . . 76.5 mt-10 -79.49 -20.62 46.86 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.649 -1.282 . . . . 0.0 109.548 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 640' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -85.68 -34.48 21.29 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 120.594 -1.316 . . . . 0.0 108.298 178.073 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 641' ' ' VAL . . . . . . . . . . . . . 1.6 m -79.06 -33.33 15.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 178.458 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 642' ' ' GLN . . . . . 0.428 ' O ' ' OD1' ' B' ' 646' ' ' ASN . 33.3 tt0 -65.54 -37.41 86.66 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.261 -0.9 . . . . 0.0 108.76 178.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 643' ' ' LEU . . . . . . . . . . . . . 27.8 mt -84.83 -21.9 29.68 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.447 -0.783 . . . . 0.0 109.242 178.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 644' ' ' ALA . . . . . . . . . . . . . . . -84.36 -24.43 29.72 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.576 -1.327 . . . . 0.0 107.862 177.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 645' ' ' LEU . . . . . . . . . . . . . 28.8 mt -88.87 -25.22 22.27 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.406 -0.809 . . . . 0.0 109.247 178.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 646' ' ' ASN . . . . . 0.428 ' OD1' ' O ' ' B' ' 642' ' ' GLN . 19.5 m120 -90.9 -16.88 27.4 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.262 -0.899 . . . . 0.0 109.836 -179.681 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 647' ' ' LYS . . . . . 0.495 ' O ' ' N ' ' B' ' 649' ' ' MET . 94.2 mttt -91.94 -175.19 4.04 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.137 -0.977 . . . . 0.0 109.804 -179.588 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 648' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 43.85 20.96 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.706 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 -179.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 649' ' ' MET . . . . . 0.495 ' N ' ' O ' ' B' ' 647' ' ' LYS . 28.1 ttm -95.09 140.98 29.27 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.534 -0.729 . . . . 0.0 109.633 -179.324 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 650' ' ' ASN . . . . . . . . . . . . . 43.0 t30 . . . . . 0 N--CA 1.49 1.534 0 CA-C-O 117.959 -1.019 . . . . 0.0 109.395 -179.966 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 301' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 . . . . . 0 N--CA 1.489 1.507 0 CA-C-O 121.22 0.533 . . . . 0.0 109.652 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 302' ' ' PHE . . . . . 0.517 ' CD2' ' SD ' ' A' ' 306' ' ' MET . 5.5 t80 -77.77 -43.56 30.38 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 179.318 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 303' ' ' CYS . . . . . . . . . . . . . 85.8 m -86.37 -47.12 9.63 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.546 -0.721 . . . . 0.0 109.147 179.069 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 2.1 p -53.49 -31.06 44.24 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.499 -0.751 . . . . 0.0 111.672 -178.462 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . 78.6 mttt -104.59 -16.34 15.05 Favored 'General case' 0 N--CA 1.508 2.437 0 O-C-N 120.766 -1.209 . . . . 0.0 110.203 179.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 306' ' ' MET . . . . . 0.517 ' SD ' ' CD2' ' A' ' 302' ' ' PHE . 38.7 mtp -74.61 -25.66 59.39 Favored 'General case' 0 C--N 1.299 -1.595 0 N-CA-C 106.513 -1.662 . . . . 0.0 106.513 176.676 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 307' ' ' ASN . . . . . 0.476 ' O ' ' N ' ' A' ' 310' ' ' CYS . 2.0 m-20 -82.74 -42.99 17.32 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 106.352 -1.721 . . . . 0.0 106.352 178.538 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 308' ' ' GLN . . . . . 0.524 ' O ' ' N ' ' A' ' 311' ' ' GLY . 6.4 tm0? -35.08 -39.14 0.1 Allowed 'General case' 0 N--CA 1.505 2.306 0 CA-C-O 121.394 0.616 . . . . 0.0 109.419 178.606 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 309' ' ' VAL . . . . . . . . . . . . . 38.0 t -45.98 -16.62 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.861 0 CA-C-O 121.857 0.836 . . . . 0.0 109.021 179.219 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 310' ' ' CYS . . . . . 0.523 ' N ' ' O ' ' A' ' 308' ' ' GLN . 8.9 m -89.58 19.29 4.68 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.553 -0.717 . . . . 0.0 109.113 179.046 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 311' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' A' ' 308' ' ' GLN . . . . . . . . 0 N--CA 1.491 2.306 0 N-CA-C 109.495 -1.442 . . . . 0.0 109.495 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 593' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.37 0 N-CA-C 109.046 -1.622 . . . . 0.0 109.046 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 594' ' ' SER . . . . . . . . . . . . . 69.3 m -82.65 165.54 19.92 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.016 -1.284 . . . . 0.0 110.126 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 595' ' ' LEU . . . . . 0.57 ' CD2' ' N ' ' B' ' 595' ' ' LEU . 2.8 mm? -98.53 124.22 43.15 Favored 'General case' 0 C--N 1.298 -1.631 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 179.78 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 596' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -128.93 141.89 51.12 Favored 'General case' 0 N--CA 1.504 2.266 0 O-C-N 121.182 -0.949 . . . . 0.0 109.212 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 597' ' ' ARG . . . . . 0.566 ' H ' ' CB ' ' B' ' 600' ' ' GLU . 34.9 mtp180 -112.84 -124.01 0.28 Allowed 'General case' 0 N--CA 1.505 2.321 0 O-C-N 121.63 -0.669 . . . . 0.0 111.263 -177.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 598' ' ' CYS . . . . . 0.565 ' SG ' ' N ' ' B' ' 599' ' ' SER . 41.7 t -75.95 -109.88 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.256 -0.902 . . . . 0.0 111.074 -178.472 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 599' ' ' SER . . . . . 0.565 ' N ' ' SG ' ' B' ' 598' ' ' CYS . 29.1 t -44.38 -22.71 0.08 Allowed 'General case' 0 N--CA 1.499 1.977 0 CA-C-O 122.366 1.079 . . . . 0.0 108.914 -179.283 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 600' ' ' GLU . . . . . 0.566 ' CB ' ' H ' ' B' ' 597' ' ' ARG . 16.5 mp0 -45.48 -46.56 13.77 Favored 'General case' 0 C--N 1.297 -1.703 0 CA-C-O 122.829 1.299 . . . . 0.0 109.084 178.565 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 601' ' ' ILE . . . . . 0.541 ' O ' ' N ' ' B' ' 604' ' ' ARG . 2.0 mt -68.16 -30.33 47.55 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.295 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 -178.354 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 602' ' ' TRP . . . . . 0.405 ' C ' ' O ' ' B' ' 601' ' ' ILE . 33.1 t-105 -47.27 -39.56 14.75 Favored 'General case' 0 N--CA 1.494 1.733 0 N-CA-C 107.423 -1.325 . . . . 0.0 107.423 179.225 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 603' ' ' ASP . . . . . 0.443 ' O ' ' OG1' ' B' ' 606' ' ' THR . 29.4 m-20 -64.04 -42.04 97.21 Favored 'General case' 0 C--N 1.305 -1.359 0 N-CA-C 107.138 -1.431 . . . . 0.0 107.138 177.343 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 604' ' ' ARG . . . . . 0.541 ' N ' ' O ' ' B' ' 601' ' ' ILE . 8.6 tpm_? -57.11 -39.65 75.52 Favored 'General case' 0 N--CA 1.496 1.866 0 C-N-CA 119.458 -0.897 . . . . 0.0 108.772 178.487 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 605' ' ' ILE . . . . . . . . . . . . . 43.7 mt -71.04 -47.42 61.72 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.965 0 O-C-N 121.466 -0.771 . . . . 0.0 110.47 179.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 606' ' ' THR . . . . . 0.443 ' OG1' ' O ' ' B' ' 603' ' ' ASP . 21.3 p . . . . . 0 N--CA 1.495 1.808 0 O-C-N 121.104 -0.997 . . . . 0.0 110.267 -179.065 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 614' ' ' ILE . . . . . . . . . . . . . 65.6 mt . . . . . 0 N--CA 1.493 1.725 0 CA-C-O 121.724 0.773 . . . . 0.0 110.376 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 615' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -128.69 109.92 11.75 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 179.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 616' ' ' VAL . . . . . . . . . . . . . 4.2 p -78.51 -17.58 13.57 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.37 -0.832 . . . . 0.0 109.1 -179.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 617' ' ' ASP . . . . . 0.51 ' O ' ' SG ' ' B' ' 620' ' ' CYS . 3.9 m-20 -75.2 -38.79 60.6 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.401 -0.812 . . . . 0.0 110.342 -179.551 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 618' ' ' GLY . . . . . 0.434 ' O ' ' OE2' ' B' ' 622' ' ' GLU . . . -66.41 -32.67 82.54 Favored Glycine 0 N--CA 1.49 2.294 0 C-N-CA 119.506 -1.33 . . . . 0.0 109.81 -179.646 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 619' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.07 -27.09 64.35 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.077 -1.249 . . . . 0.0 108.37 179.683 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 620' ' ' CYS . . . . . 0.587 ' SG ' ' N ' ' B' ' 621' ' ' SER . 1.4 p -67.69 -48.71 65.83 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.333 -0.854 . . . . 0.0 110.672 -179.541 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 621' ' ' SER . . . . . 0.587 ' N ' ' SG ' ' B' ' 620' ' ' CYS . 29.9 t -82.97 -3.31 57.02 Favored 'General case' 0 N--CA 1.503 2.197 0 O-C-N 120.5 -1.375 . . . . 0.0 110.353 -179.243 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 622' ' ' GLU . . . . . 0.434 ' OE2' ' O ' ' B' ' 618' ' ' GLY . 0.3 OUTLIER -99.39 -40.27 7.97 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.022 -1.049 . . . . 0.0 108.392 177.433 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 623' ' ' LEU . . . . . . . . . . . . . 18.0 mt -86.43 -19.78 29.13 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.996 -1.065 . . . . 0.0 110.661 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 624' ' ' MET . . . . . . . . . . . . . 76.3 mtp -76.73 -28.06 55.66 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 120.627 -1.296 . . . . 0.0 111.779 -177.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 625' ' ' ALA . . . . . 0.419 ' C ' ' N ' ' B' ' 627' ' ' ALA . . . -104.64 -41.15 5.77 Favored 'General case' 0 N--CA 1.505 2.298 0 O-C-N 120.617 -1.302 . . . . 0.0 109.343 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 626' ' ' LYS . . . . . 0.522 ' NZ ' ' OD1' ' B' ' 640' ' ' ASP . 53.0 mtmt -60.78 -14.61 22.55 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 106.512 -1.662 . . . . 0.0 106.512 177.598 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 627' ' ' ALA . . . . . 0.419 ' N ' ' C ' ' B' ' 625' ' ' ALA . . . -44.96 136.88 4.44 Favored 'General case' 0 N--CA 1.491 1.625 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.877 179.53 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 628' ' ' LYS . . . . . . . . . . . . . 80.6 tttt -101.85 92.46 4.83 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 107.311 -1.366 . . . . 0.0 107.311 178.337 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 629' ' ' CYS . . . . . . . . . . . . . 51.0 t -59.98 134.74 57.32 Favored 'General case' 0 N--CA 1.49 1.572 0 CA-C-O 122.557 1.17 . . . . 0.0 112.215 -177.516 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 630' ' ' SER . . . . . . . . . . . . . 6.8 t -141.96 161.04 38.96 Favored 'General case' 0 N--CA 1.492 1.674 0 N-CA-C 107.062 -1.459 . . . . 0.0 107.062 178.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 631' ' ' GLU . . . . . 0.54 ' H ' ' CD ' ' B' ' 631' ' ' GLU . 1.4 pm0 -66.44 -28.3 68.5 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.253 -1.529 . . . . 0.0 109.684 -179.32 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 632' ' ' ARG . . . . . 0.408 HH11 ' HG3' ' B' ' 632' ' ' ARG . 29.0 mtm-85 -74.04 -15.42 61.08 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.9 -1.125 . . . . 0.0 108.213 178.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 633' ' ' GLY . . . . . . . . . . . . . . . 133.62 -174.87 20.54 Favored Glycine 0 N--CA 1.497 2.724 0 N-CA-C 108.442 -1.863 . . . . 0.0 108.442 -179.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 634' ' ' VAL . . . . . . . . . . . . . 7.6 m -79.44 162.18 3.93 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 O-C-N 120.597 -1.531 . . . . 0.0 109.792 179.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 5.3 p -148.5 140.59 18.08 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 O-C-N 120.988 -1.07 . . . . 0.0 108.855 177.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 636' ' ' ILE . . . . . 0.409 HD13 HG23 ' B' ' 636' ' ' ILE . 18.1 mm -118.67 132.91 67.17 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.957 0 O-C-N 121.884 -0.51 . . . . 0.0 110.224 -178.617 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 637' ' ' ASN . . . . . 0.51 ' O ' ' N ' ' B' ' 639' ' ' GLU . 47.6 m-20 -83.95 134.32 34.66 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 107.9 -1.148 . . . . 0.0 107.9 178.12 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 638' ' ' ALA . . . . . 0.406 ' O ' ' CG ' ' B' ' 642' ' ' GLN . . . -46.54 -13.44 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.424 -0.797 . . . . 0.0 110.848 -178.204 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 639' ' ' GLU . . . . . 0.51 ' N ' ' O ' ' B' ' 637' ' ' ASN . 72.0 mt-10 -82.24 -20.93 36.67 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.913 -1.117 . . . . 0.0 110.61 -179.333 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 640' ' ' ASP . . . . . 0.522 ' OD1' ' NZ ' ' B' ' 626' ' ' LYS . 19.2 t0 -85.46 -58.34 2.71 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 120.457 -1.402 . . . . 0.0 107.881 178.121 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 641' ' ' VAL . . . . . 0.481 ' CG1' ' N ' ' B' ' 642' ' ' GLN . 7.8 p -50.12 -47.21 24.67 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 120.788 -1.195 . . . . 0.0 108.562 177.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 642' ' ' GLN . . . . . 0.481 ' N ' ' CG1' ' B' ' 641' ' ' VAL . 17.5 mm100 -57.65 -35.75 70.94 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.008 -1.058 . . . . 0.0 109.572 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 643' ' ' LEU . . . . . . . . . . . . . 61.1 mt -80.67 -23.31 39.72 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.176 -0.952 . . . . 0.0 109.001 178.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 644' ' ' ALA . . . . . . . . . . . . . . . -86.59 -48.16 8.58 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.823 -1.173 . . . . 0.0 108.881 178.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 645' ' ' LEU . . . . . 0.507 ' O ' ' N ' ' B' ' 647' ' ' LYS . 46.9 mt -66.68 -69.73 0.29 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.858 -1.151 . . . . 0.0 109.523 179.42 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 646' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -46.61 -13.57 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.144 -0.972 . . . . 0.0 110.917 -178.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 647' ' ' LYS . . . . . 0.507 ' N ' ' O ' ' B' ' 645' ' ' LEU . 54.6 tttp -99.69 -11.66 20.69 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 120.952 -1.092 . . . . 0.0 110.109 -179.6 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 648' ' ' HIS . . . . . . . . . . . . . 51.4 m-70 -111.17 12.78 21.84 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.344 -0.848 . . . . 0.0 109.52 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 649' ' ' MET . . . . . 0.431 ' O ' ' ND2' ' B' ' 650' ' ' ASN . 12.7 mtt -97.03 125.76 41.7 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.249 -0.907 . . . . 0.0 109.402 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 650' ' ' ASN . . . . . 0.431 ' ND2' ' O ' ' B' ' 649' ' ' MET . 35.4 m120 . . . . . 0 N--CA 1.491 1.616 0 CA-C-O 118.006 -0.997 . . . . 0.0 109.447 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 301' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 . . . . . 0 N--CA 1.493 1.714 0 N-CA-C 106.414 -1.698 . . . . 0.0 106.414 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 302' ' ' PHE . . . . . . . . . . . . . 38.6 t80 -75.18 -63.55 1.25 Allowed 'General case' 0 C--N 1.304 -1.385 0 CA-C-N 114.276 -1.329 . . . . 0.0 109.578 178.362 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 303' ' ' CYS . . . . . . . . . . . . . 66.3 m -70.96 -45.01 64.85 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.081 -1.012 . . . . 0.0 109.543 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 42.2 t -53.97 -26.33 25.28 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.429 -0.795 . . . . 0.0 111.587 -178.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . 24.6 mtpp -97.13 -13.68 22.0 Favored 'General case' 0 N--CA 1.507 2.389 0 O-C-N 120.828 -1.17 . . . . 0.0 108.317 178.282 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 306' ' ' MET . . . . . . . . . . . . . 6.0 mmt -72.71 -26.07 61.46 Favored 'General case' 0 C--N 1.295 -1.766 0 N-CA-C 107.327 -1.361 . . . . 0.0 107.327 177.232 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 307' ' ' ASN . . . . . 0.438 ' O ' ' N ' ' A' ' 310' ' ' CYS . 30.5 t30 -84.65 -39.2 18.91 Favored 'General case' 0 N--CA 1.492 1.675 0 N-CA-C 106.673 -1.603 . . . . 0.0 106.673 179.521 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 308' ' ' GLN . . . . . 0.543 ' O ' ' N ' ' A' ' 310' ' ' CYS . 43.6 mm-40 -37.17 -40.14 0.3 Allowed 'General case' 0 N--CA 1.506 2.336 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 178.444 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 309' ' ' VAL . . . . . . . . . . . . . 11.0 t -46.82 -12.66 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.874 0 CA-C-O 121.361 0.601 . . . . 0.0 109.729 179.283 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 310' ' ' CYS . . . . . 0.543 ' N ' ' O ' ' A' ' 308' ' ' GLN . 3.1 t -76.61 -59.9 2.58 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.417 -0.802 . . . . 0.0 109.314 179.476 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 311' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.453 0 N-CA-C 109.547 -1.421 . . . . 0.0 109.547 179.945 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 593' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.402 0 N-CA-C 109.421 -1.471 . . . . 0.0 109.421 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 594' ' ' SER . . . . . . . . . . . . . 62.8 m -69.62 166.71 18.47 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.319 -1.107 . . . . 0.0 110.015 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 595' ' ' LEU . . . . . 0.515 ' N ' ' CD1' ' B' ' 595' ' ' LEU . 8.2 mp -90.19 118.27 29.58 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 179.812 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 596' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -128.06 146.55 50.64 Favored 'General case' 0 N--CA 1.501 2.087 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 597' ' ' ARG . . . . . 0.403 ' CG ' HH11 ' B' ' 597' ' ' ARG . 0.0 OUTLIER -78.92 -169.22 1.71 Allowed 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.361 -0.837 . . . . 0.0 109.847 -179.507 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 598' ' ' CYS . . . . . 0.519 ' O ' ' N ' ' B' ' 600' ' ' GLU . 1.8 p -65.41 -92.36 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.516 -0.74 . . . . 0.0 110.701 -178.688 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 14.2 t -45.04 -18.04 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.861 0 CA-C-O 121.957 0.884 . . . . 0.0 109.439 -179.404 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 600' ' ' GLU . . . . . 0.519 ' N ' ' O ' ' B' ' 598' ' ' CYS . 6.7 tm-20 -48.01 -41.63 26.03 Favored 'General case' 0 C--N 1.302 -1.472 0 CA-C-O 122.675 1.226 . . . . 0.0 108.564 179.333 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 601' ' ' ILE . . . . . 0.535 ' O ' ' N ' ' B' ' 604' ' ' ARG . 1.0 OUTLIER -66.34 -35.78 75.77 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.083 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 -178.269 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 602' ' ' TRP . . . . . 0.403 ' C ' ' O ' ' B' ' 601' ' ' ILE . 15.5 t-105 -44.99 -40.55 6.56 Favored 'General case' 0 N--CA 1.494 1.75 0 N-CA-C 108.061 -1.089 . . . . 0.0 108.061 179.81 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 603' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -65.13 -41.88 94.41 Favored 'General case' 0 C--N 1.304 -1.411 0 N-CA-C 107.721 -1.215 . . . . 0.0 107.721 177.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 604' ' ' ARG . . . . . 0.535 ' N ' ' O ' ' B' ' 601' ' ' ILE . 15.7 tpt180 -58.6 -33.48 70.06 Favored 'General case' 0 N--CA 1.497 1.921 0 CA-C-O 121.844 0.83 . . . . 0.0 109.464 179.108 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 605' ' ' ILE . . . . . . . . . . . . . 85.7 mt -80.05 -48.33 20.44 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.784 0 O-C-N 121.792 -0.567 . . . . 0.0 111.109 -179.381 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 606' ' ' THR . . . . . . . . . . . . . 35.1 p . . . . . 0 C--N 1.3 -1.583 0 O-C-N 120.518 -1.364 . . . . 0.0 110.611 -178.825 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 614' ' ' ILE . . . . . . . . . . . . . 16.8 mm . . . . . 0 N--CA 1.489 1.495 0 CA-C-O 121.339 0.59 . . . . 0.0 109.765 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 615' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -130.94 106.58 8.51 Favored 'General case' 0 N--CA 1.491 1.614 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 179.165 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 616' ' ' VAL . . . . . . . . . . . . . 13.1 m -80.57 -16.97 12.54 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 CA-C-O 121.627 0.727 . . . . 0.0 109.356 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 617' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -68.5 -43.97 75.72 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.29 -0.881 . . . . 0.0 110.217 -179.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 618' ' ' GLY . . . . . 0.436 ' O ' ' OE2' ' B' ' 622' ' ' GLU . . . -65.46 -37.64 93.98 Favored Glycine 0 N--CA 1.489 2.225 0 N-CA-C 110.003 -1.239 . . . . 0.0 110.003 -179.493 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 619' ' ' LEU . . . . . . . . . . . . . 4.4 mt -64.09 -22.42 66.93 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.104 -1.233 . . . . 0.0 108.064 179.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 620' ' ' CYS . . . . . . . . . . . . . 11.3 t -69.51 -53.58 18.41 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.558 -0.714 . . . . 0.0 110.849 -179.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 34.8 t -82.46 -1.59 50.7 Favored 'General case' 0 N--CA 1.502 2.128 0 O-C-N 120.562 -1.336 . . . . 0.0 110.531 -179.167 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 622' ' ' GLU . . . . . 0.436 ' OE2' ' O ' ' B' ' 618' ' ' GLY . 0.4 OUTLIER -99.14 -47.72 5.11 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.045 -1.034 . . . . 0.0 109.107 178.128 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 623' ' ' LEU . . . . . . . . . . . . . 9.1 mp -86.24 -19.71 29.56 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 120.85 -1.156 . . . . 0.0 110.706 -179.204 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 624' ' ' MET . . . . . . . . . . . . . 24.5 ttt -71.46 -28.23 63.81 Favored 'General case' 0 N--CA 1.502 2.133 0 O-C-N 120.763 -1.211 . . . . 0.0 111.716 -178.437 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 625' ' ' ALA . . . . . . . . . . . . . . . -103.73 -3.39 25.08 Favored 'General case' 0 N--CA 1.506 2.361 0 O-C-N 120.746 -1.221 . . . . 0.0 109.288 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 626' ' ' LYS . . . . . 0.438 ' O ' ' NZ ' ' B' ' 628' ' ' LYS . 32.0 mmtm -96.38 -15.32 21.9 Favored 'General case' 0 N--CA 1.494 1.734 0 N-CA-C 106.879 -1.526 . . . . 0.0 106.879 176.524 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 627' ' ' ALA . . . . . . . . . . . . . . . -48.48 145.95 3.2 Favored 'General case' 0 N--CA 1.493 1.691 0 CA-C-O 121.478 0.656 . . . . 0.0 110.954 -179.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 628' ' ' LYS . . . . . 0.438 ' NZ ' ' O ' ' B' ' 626' ' ' LYS . 40.5 mmtm -123.94 89.79 3.15 Favored 'General case' 0 N--CA 1.497 1.925 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 179.422 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 629' ' ' CYS . . . . . . . . . . . . . 18.0 t -48.83 118.31 2.51 Favored 'General case' 0 N--CA 1.494 1.741 0 CA-C-O 122.249 1.024 . . . . 0.0 111.12 -178.595 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 630' ' ' SER . . . . . . . . . . . . . 13.1 t -142.93 161.86 37.0 Favored 'General case' 0 N--CA 1.495 1.811 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 178.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 631' ' ' GLU . . . . . 0.556 ' C ' ' H ' ' B' ' 633' ' ' GLY . 63.1 tt0 -63.35 -29.75 71.0 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.546 -1.346 . . . . 0.0 109.202 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 16.4 mmt180 -79.75 32.78 0.25 Allowed 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 107.548 -1.278 . . . . 0.0 107.548 178.041 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 633' ' ' GLY . . . . . 0.556 ' H ' ' C ' ' B' ' 631' ' ' GLU . . . 74.77 -171.52 53.49 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 108.296 -1.922 . . . . 0.0 108.296 -178.72 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 634' ' ' VAL . . . . . . . . . . . . . 30.8 m -77.47 140.62 16.77 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 O-C-N 120.796 -1.414 . . . . 0.0 109.689 179.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 18.3 m -127.91 133.72 66.74 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.384 0 O-C-N 121.097 -1.002 . . . . 0.0 108.766 178.352 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 636' ' ' ILE . . . . . . . . . . . . . 4.2 mt -125.32 156.46 34.49 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.877 0 CA-C-O 121.339 0.59 . . . . 0.0 109.953 -178.373 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 637' ' ' ASN . . . . . 0.527 ' O ' ' N ' ' B' ' 639' ' ' GLU . 4.1 m-80 -89.58 121.92 32.24 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.19 -0.944 . . . . 0.0 109.033 179.207 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -47.6 -10.4 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.617 -0.677 . . . . 0.0 110.242 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 639' ' ' GLU . . . . . 0.527 ' N ' ' O ' ' B' ' 637' ' ' ASN . 41.0 tt0 -77.11 -20.31 55.83 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.9 -1.125 . . . . 0.0 109.685 179.623 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 640' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -87.97 -44.94 10.64 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 120.564 -1.335 . . . . 0.0 108.598 177.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 641' ' ' VAL . . . . . . . . . . . . . 1.8 m -65.22 -32.76 59.67 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 121.031 -1.043 . . . . 0.0 108.918 178.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 642' ' ' GLN . . . . . . . . . . . . . 21.6 tp60 -72.61 -32.97 66.36 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.209 -0.932 . . . . 0.0 109.21 179.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 643' ' ' LEU . . . . . . . . . . . . . 89.2 mt -83.97 -21.94 31.6 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.212 -0.93 . . . . 0.0 108.761 178.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 644' ' ' ALA . . . . . . . . . . . . . . . -87.74 -36.26 17.45 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.085 -1.01 . . . . 0.0 108.791 178.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 645' ' ' LEU . . . . . . . . . . . . . 18.8 mt -77.59 -24.46 49.68 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.293 -0.88 . . . . 0.0 109.2 179.079 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 646' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -91.95 -8.15 47.04 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.912 -1.118 . . . . 0.0 109.882 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 647' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -104.79 -10.07 17.65 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.359 -0.838 . . . . 0.0 109.401 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 648' ' ' HIS . . . . . . . . . . . . . 23.3 m-70 -112.33 7.21 19.19 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.508 -0.745 . . . . 0.0 109.461 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 649' ' ' MET . . . . . . . . . . . . . 25.5 mmm -96.19 103.09 14.97 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.238 -0.914 . . . . 0.0 109.227 179.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 650' ' ' ASN . . . . . . . . . . . . . 14.0 m120 . . . . . 0 N--CA 1.489 1.509 0 CA-C-O 118.087 -0.959 . . . . 0.0 109.471 179.955 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 301' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 . . . . . 0 N--CA 1.489 1.508 0 CA-C-O 121.49 0.662 . . . . 0.0 109.276 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 302' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -63.36 -62.65 1.54 Allowed 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 303' ' ' CYS . . . . . . . . . . . . . 78.8 m -80.64 -49.38 11.33 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.429 -0.794 . . . . 0.0 110.135 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 9.2 p -48.09 -25.96 1.65 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.402 -0.811 . . . . 0.0 110.807 -178.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . 23.9 mtpp -104.2 -14.7 15.74 Favored 'General case' 0 N--CA 1.504 2.235 0 O-C-N 121.04 -1.037 . . . . 0.0 108.773 178.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 306' ' ' MET . . . . . . . . . . . . . 26.7 tpp -72.46 -25.64 61.52 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 107.013 -1.477 . . . . 0.0 107.013 176.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 307' ' ' ASN . . . . . 0.469 ' O ' ' N ' ' A' ' 310' ' ' CYS . 30.2 t30 -85.87 -41.46 14.95 Favored 'General case' 0 N--CA 1.494 1.768 0 N-CA-C 106.439 -1.689 . . . . 0.0 106.439 178.333 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 308' ' ' GLN . . . . . 0.529 ' O ' ' N ' ' A' ' 310' ' ' CYS . 42.8 tt0 -35.19 -37.11 0.07 Allowed 'General case' 0 N--CA 1.505 2.286 0 CA-C-O 121.458 0.647 . . . . 0.0 109.416 178.806 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 309' ' ' VAL . . . . . 0.417 ' N ' ' O ' ' A' ' 307' ' ' ASN . 21.6 t -47.8 -13.78 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.879 0 O-C-N 121.346 -0.847 . . . . 0.0 109.051 178.748 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 310' ' ' CYS . . . . . 0.529 ' N ' ' O ' ' A' ' 308' ' ' GLN . 1.8 m -84.24 -17.06 41.02 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.482 -0.761 . . . . 0.0 109.242 179.72 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 311' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.229 0 N-CA-C 109.4 -1.48 . . . . 0.0 109.4 179.767 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 593' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.413 0 N-CA-C 109.325 -1.51 . . . . 0.0 109.325 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 594' ' ' SER . . . . . . . . . . . . . 67.6 m -79.93 165.94 22.14 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.146 -1.208 . . . . 0.0 110.262 -179.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 595' ' ' LEU . . . . . 0.523 ' CD2' ' N ' ' B' ' 595' ' ' LEU . 3.7 mm? -96.15 126.9 41.69 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 179.588 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 596' ' ' LEU . . . . . . . . . . . . . 1.6 mp -129.27 150.58 50.59 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.25 -0.906 . . . . 0.0 109.781 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 597' ' ' ARG . . . . . 0.509 HH11 ' CG ' ' B' ' 597' ' ' ARG . 0.0 OUTLIER -94.26 -161.25 0.84 Allowed 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.398 -0.814 . . . . 0.0 110.27 -178.896 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 598' ' ' CYS . . . . . . . . . . . . . 2.7 p -71.1 -84.95 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.398 -0.813 . . . . 0.0 110.176 -179.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 599' ' ' SER . . . . . 0.459 ' O ' ' N ' ' B' ' 602' ' ' TRP . 1.1 p -45.6 -29.35 1.18 Allowed 'General case' 0 N--CA 1.496 1.874 0 CA-C-O 122.342 1.068 . . . . 0.0 108.778 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 600' ' ' GLU . . . . . . . . . . . . . 25.1 tp10 -47.78 -38.05 14.81 Favored 'General case' 0 C--N 1.303 -1.431 0 CA-C-O 122.548 1.166 . . . . 0.0 108.342 179.295 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 601' ' ' ILE . . . . . 0.592 ' O ' ' N ' ' B' ' 604' ' ' ARG . 1.3 mp -68.86 -34.6 65.27 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.109 0 N-CA-C 107.601 -1.259 . . . . 0.0 107.601 -178.722 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 602' ' ' TRP . . . . . 0.459 ' N ' ' O ' ' B' ' 599' ' ' SER . 54.4 t-105 -44.15 -36.82 2.8 Favored 'General case' 0 N--CA 1.494 1.754 0 N-CA-C 107.397 -1.335 . . . . 0.0 107.397 179.481 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 603' ' ' ASP . . . . . 0.435 ' O ' ' OG1' ' B' ' 606' ' ' THR . 27.5 t70 -68.66 -42.85 77.33 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 107.633 -1.247 . . . . 0.0 107.633 177.355 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 604' ' ' ARG . . . . . 0.592 ' N ' ' O ' ' B' ' 601' ' ' ILE . 10.8 mmt-85 -56.56 -39.9 74.25 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.151 -0.968 . . . . 0.0 109.223 178.774 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 605' ' ' ILE . . . . . . . . . . . . . 10.4 mm -66.07 -47.61 84.37 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.075 0 O-C-N 121.357 -0.84 . . . . 0.0 110.345 179.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 606' ' ' THR . . . . . 0.435 ' OG1' ' O ' ' B' ' 603' ' ' ASP . 37.8 p . . . . . 0 N--CA 1.494 1.748 0 O-C-N 120.896 -1.127 . . . . 0.0 109.971 -179.33 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 614' ' ' ILE . . . . . 0.495 ' CG2' ' H ' ' B' ' 615' ' ' ASP . 68.2 mt . . . . . 0 N--CA 1.499 2.018 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 615' ' ' ASP . . . . . 0.495 ' H ' ' CG2' ' B' ' 614' ' ' ILE . 69.7 m-20 -122.08 132.84 54.7 Favored 'General case' 0 N--CA 1.498 1.945 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 179.462 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 616' ' ' VAL . . . . . 0.494 ' O ' ' SG ' ' B' ' 620' ' ' CYS . 14.3 m -77.89 -17.17 14.03 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 O-C-N 121.39 -0.819 . . . . 0.0 109.862 -179.728 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 617' ' ' ASP . . . . . 0.425 ' OD1' ' N ' ' B' ' 618' ' ' GLY . 2.0 p30 -75.44 -31.86 60.47 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.168 -0.957 . . . . 0.0 110.107 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 618' ' ' GLY . . . . . 0.425 ' N ' ' OD1' ' B' ' 617' ' ' ASP . . . -68.33 -41.05 86.78 Favored Glycine 0 N--CA 1.49 2.298 0 C-N-CA 119.723 -1.227 . . . . 0.0 110.375 -179.295 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 619' ' ' LEU . . . . . 0.561 ' CD2' ' H ' ' B' ' 619' ' ' LEU . 1.5 mm? -70.11 -22.84 62.98 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 120.716 -1.461 . . . . 0.0 108.067 179.495 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 620' ' ' CYS . . . . . 0.494 ' SG ' ' O ' ' B' ' 616' ' ' VAL . 96.4 m -69.29 -53.47 19.54 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.227 -0.921 . . . . 0.0 110.362 -179.803 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 31.4 t -83.5 -1.35 53.48 Favored 'General case' 0 N--CA 1.502 2.151 0 O-C-N 120.522 -1.361 . . . . 0.0 110.806 -179.115 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 622' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -100.12 -46.66 5.24 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 120.966 -1.084 . . . . 0.0 109.76 178.166 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 623' ' ' LEU . . . . . . . . . . . . . 9.4 mp -85.55 -17.45 36.28 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 120.962 -1.086 . . . . 0.0 110.204 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 624' ' ' MET . . . . . . . . . . . . . 12.9 ttt -68.6 -29.25 67.74 Favored 'General case' 0 N--CA 1.499 2.025 0 O-C-N 120.7 -1.25 . . . . 0.0 111.293 -178.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 625' ' ' ALA . . . . . . . . . . . . . . . -105.23 -30.92 9.36 Favored 'General case' 0 N--CA 1.504 2.256 0 O-C-N 120.739 -1.226 . . . . 0.0 109.369 179.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 626' ' ' LYS . . . . . . . . . . . . . 66.7 mmtt -63.85 -14.5 53.66 Favored 'General case' 0 C--N 1.299 -1.614 0 N-CA-C 106.124 -1.806 . . . . 0.0 106.124 176.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 627' ' ' ALA . . . . . . . . . . . . . . . -45.86 122.41 3.75 Favored 'General case' 0 N--CA 1.492 1.641 0 CA-C-N 115.215 -0.902 . . . . 0.0 111.956 -179.504 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 628' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -94.98 88.4 5.24 Favored 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 106.325 -1.731 . . . . 0.0 106.325 176.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 629' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -58.67 138.92 56.71 Favored 'General case' 0 C--N 1.299 -1.625 0 CA-C-O 122.431 1.11 . . . . 0.0 112.334 -176.577 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 630' ' ' SER . . . . . . . . . . . . . 3.6 t -142.1 162.69 34.83 Favored 'General case' 0 N--CA 1.493 1.725 0 N-CA-C 107.347 -1.353 . . . . 0.0 107.347 178.274 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 631' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -69.09 -34.4 75.06 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.444 -1.41 . . . . 0.0 110.518 -178.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 632' ' ' ARG . . . . . 0.557 ' CG ' HH11 ' B' ' 632' ' ' ARG . 3.1 mtt-85 -70.9 -17.27 62.71 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.855 -1.153 . . . . 0.0 108.856 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 633' ' ' GLY . . . . . . . . . . . . . . . 143.82 179.9 20.71 Favored Glycine 0 N--CA 1.496 2.633 0 N-CA-C 108.722 -1.751 . . . . 0.0 108.722 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 634' ' ' VAL . . . . . . . . . . . . . 3.2 p -79.33 160.42 4.35 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.39 0 O-C-N 120.685 -1.479 . . . . 0.0 110.015 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 19.4 m -150.5 143.56 17.18 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 N-CA-C 107.929 -1.138 . . . . 0.0 107.929 177.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 636' ' ' ILE . . . . . . . . . . . . . 80.8 mt -130.99 147.54 33.07 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.051 0 O-C-N 121.25 -0.906 . . . . 0.0 109.959 -178.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 637' ' ' ASN . . . . . 0.507 ' ND2' ' OE1' ' B' ' 639' ' ' GLU . 59.9 t30 -88.83 136.83 32.8 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.247 -0.908 . . . . 0.0 109.054 179.429 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -48.59 -10.6 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.472 -0.768 . . . . 0.0 110.992 -179.326 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 639' ' ' GLU . . . . . 0.528 ' N ' ' OE1' ' B' ' 639' ' ' GLU . 11.5 mp0 -80.83 -19.81 43.81 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.9 -1.125 . . . . 0.0 110.663 -179.645 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 640' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -86.81 -44.64 11.58 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 120.311 -1.493 . . . . 0.0 108.722 178.292 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 641' ' ' VAL . . . . . 0.404 HG11 ' H ' ' B' ' 642' ' ' GLN . 0.8 OUTLIER -66.67 -44.52 89.64 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 120.876 -1.14 . . . . 0.0 108.45 178.34 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 642' ' ' GLN . . . . . 0.404 ' H ' HG11 ' B' ' 641' ' ' VAL . 60.5 tt0 -60.51 -35.81 76.86 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.119 -0.988 . . . . 0.0 109.752 -179.471 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 643' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -83.23 -18.85 37.79 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.024 -1.048 . . . . 0.0 108.832 178.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 644' ' ' ALA . . . . . . . . . . . . . . . -86.65 -38.98 16.53 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 120.814 -1.179 . . . . 0.0 109.163 178.535 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 645' ' ' LEU . . . . . 0.519 ' O ' ' N ' ' B' ' 647' ' ' LYS . 44.4 mt -77.61 -68.02 0.66 Allowed 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.576 -1.328 . . . . 0.0 108.805 178.732 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 646' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -45.43 -15.22 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.171 -0.955 . . . . 0.0 110.508 -179.196 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 647' ' ' LYS . . . . . 0.519 ' N ' ' O ' ' B' ' 645' ' ' LEU . 77.4 tttt -94.38 -11.88 29.03 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.003 -1.061 . . . . 0.0 109.753 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 648' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -109.84 18.49 20.1 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.474 -0.766 . . . . 0.0 109.424 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 649' ' ' MET . . . . . . . . . . . . . 6.5 mmt -96.56 99.73 11.35 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.284 -0.885 . . . . 0.0 109.227 179.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 650' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 . . . . . 0 N--CA 1.49 1.53 0 CA-C-O 117.958 -1.02 . . . . 0.0 109.506 -179.933 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 301' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 . . . . . 0 N--CA 1.494 1.748 0 N-CA-C 107.209 -1.404 . . . . 0.0 107.209 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 302' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -75.47 -56.41 4.73 Favored 'General case' 0 C--N 1.303 -1.447 0 CA-C-N 114.821 -1.082 . . . . 0.0 109.314 178.55 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 303' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -76.85 -37.88 54.77 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.125 -0.985 . . . . 0.0 109.28 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 11.0 t -56.48 -30.97 63.56 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.471 -0.768 . . . . 0.0 110.793 -179.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . 54.0 mttp -95.14 -15.37 23.39 Favored 'General case' 0 N--CA 1.503 2.196 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 178.305 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 306' ' ' MET . . . . . . . . . . . . . 24.8 ttm -73.08 -22.8 60.52 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 107.347 -1.353 . . . . 0.0 107.347 177.202 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 307' ' ' ASN . . . . . 0.468 ' O ' ' N ' ' A' ' 310' ' ' CYS . 2.6 t30 -83.94 -38.24 21.29 Favored 'General case' 0 N--CA 1.491 1.591 0 N-CA-C 106.195 -1.78 . . . . 0.0 106.195 178.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 308' ' ' GLN . . . . . 0.529 ' O ' ' N ' ' A' ' 310' ' ' CYS . 70.8 tp60 -38.09 -44.2 0.81 Allowed 'General case' 0 N--CA 1.503 2.194 0 CA-C-N 115.791 -0.641 . . . . 0.0 109.329 178.468 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 309' ' ' VAL . . . . . . . . . . . . . 10.8 t -45.75 -16.22 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.499 1.989 0 CA-C-O 122.024 0.916 . . . . 0.0 109.383 179.372 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 310' ' ' CYS . . . . . 0.529 ' N ' ' O ' ' A' ' 308' ' ' GLN . 63.1 m -94.1 -37.45 11.6 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 179.287 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 311' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 308' ' ' GLN . . . . . . . . 0 N--CA 1.491 2.33 0 N-CA-C 109.676 -1.37 . . . . 0.0 109.676 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 593' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.203 0 N-CA-C 109.504 -1.438 . . . . 0.0 109.504 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 594' ' ' SER . . . . . . . . . . . . . 11.5 p -76.64 165.32 24.92 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.224 -1.162 . . . . 0.0 110.17 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 595' ' ' LEU . . . . . 0.568 ' CD2' ' N ' ' B' ' 595' ' ' LEU . 2.9 mm? -94.85 121.1 36.11 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 179.711 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 596' ' ' LEU . . . . . 0.506 ' CD2' HH21 ' B' ' 604' ' ' ARG . 0.0 OUTLIER -128.17 153.53 46.78 Favored 'General case' 0 N--CA 1.507 2.388 0 O-C-N 121.292 -0.88 . . . . 0.0 109.459 -179.804 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 597' ' ' ARG . . . . . 0.703 HH21 ' H ' ' B' ' 634' ' ' VAL . 0.0 OUTLIER -88.03 -144.7 0.14 Allowed 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.339 -0.851 . . . . 0.0 110.186 -179.472 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 598' ' ' CYS . . . . . 0.478 ' O ' ' N ' ' B' ' 600' ' ' GLU . 1.8 p -88.85 -87.19 0.17 Allowed 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.201 -0.937 . . . . 0.0 110.399 -178.659 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 599' ' ' SER . . . . . 0.45 ' O ' ' N ' ' B' ' 602' ' ' TRP . 29.2 t -45.42 -21.57 0.1 Allowed 'General case' 0 N--CA 1.498 1.934 0 CA-C-O 122.187 0.994 . . . . 0.0 108.758 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 600' ' ' GLU . . . . . 0.478 ' N ' ' O ' ' B' ' 598' ' ' CYS . 5.4 tm-20 -45.9 -42.59 12.88 Favored 'General case' 0 C--N 1.303 -1.442 0 CA-C-O 122.958 1.361 . . . . 0.0 108.49 178.761 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 601' ' ' ILE . . . . . 0.565 ' O ' ' N ' ' B' ' 604' ' ' ARG . 1.4 mp -68.69 -32.38 54.74 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.105 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 -178.301 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 602' ' ' TRP . . . . . 0.45 ' N ' ' O ' ' B' ' 599' ' ' SER . 60.4 t-105 -45.89 -37.28 6.13 Favored 'General case' 0 N--CA 1.495 1.825 0 N-CA-C 107.325 -1.361 . . . . 0.0 107.325 179.274 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 603' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -68.84 -41.58 78.3 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 107.564 -1.273 . . . . 0.0 107.564 177.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 604' ' ' ARG . . . . . 0.565 ' N ' ' O ' ' B' ' 601' ' ' ILE . 28.0 mmt180 -57.58 -40.41 78.94 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.326 -0.859 . . . . 0.0 109.12 178.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 605' ' ' ILE . . . . . . . . . . . . . 31.1 mt -68.92 -48.34 70.95 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 121.358 -0.839 . . . . 0.0 110.522 179.377 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 606' ' ' THR . . . . . . . . . . . . . 25.0 p . . . . . 0 N--CA 1.491 1.621 0 O-C-N 120.764 -1.21 . . . . 0.0 109.994 -179.246 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 614' ' ' ILE . . . . . . . . . . . . . 19.5 tt . . . . . 0 N--CA 1.497 1.881 0 N-CA-C 109.692 -0.485 . . . . 0.0 109.692 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 615' ' ' ASP . . . . . . . . . . . . . 13.3 t0 64.59 83.73 0.16 Allowed 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.272 -0.893 . . . . 0.0 109.237 -179.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 616' ' ' VAL . . . . . 0.485 ' O ' ' SG ' ' B' ' 620' ' ' CYS . 20.2 t -80.86 -18.36 11.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.537 -0.727 . . . . 0.0 109.61 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 617' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -74.61 -37.91 62.72 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.204 -0.935 . . . . 0.0 110.087 -179.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 618' ' ' GLY . . . . . . . . . . . . . . . -70.63 -46.55 46.44 Favored Glycine 0 N--CA 1.49 2.262 0 C-N-CA 119.773 -1.203 . . . . 0.0 110.114 -179.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 619' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.04 -19.38 65.97 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.043 -1.269 . . . . 0.0 108.526 -179.555 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 620' ' ' CYS . . . . . 0.485 ' SG ' ' O ' ' B' ' 616' ' ' VAL . 34.4 m -71.4 -44.41 64.98 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.942 -1.099 . . . . 0.0 109.234 179.372 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 36.1 t -82.42 -0.34 45.68 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.068 -1.02 . . . . 0.0 108.746 179.207 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 622' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -98.24 -45.35 6.22 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.482 -0.761 . . . . 0.0 109.185 178.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 623' ' ' LEU . . . . . . . . . . . . . 10.6 mp -86.04 -27.17 24.94 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 120.606 -1.309 . . . . 0.0 109.595 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 624' ' ' MET . . . . . . . . . . . . . 21.0 ttt -71.53 -32.24 67.94 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.285 -0.884 . . . . 0.0 112.514 -177.145 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 625' ' ' ALA . . . . . . . . . . . . . . . -101.88 -8.07 21.92 Favored 'General case' 0 N--CA 1.508 2.454 0 O-C-N 120.554 -1.341 . . . . 0.0 110.203 -179.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 626' ' ' LYS . . . . . . . . . . . . . 53.7 mttm -85.96 -4.64 59.21 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 105.871 -1.9 . . . . 0.0 105.871 176.148 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 627' ' ' ALA . . . . . . . . . . . . . . . -43.48 139.78 1.95 Allowed 'General case' 0 N--CA 1.489 1.515 0 CA-C-N 114.985 -1.007 . . . . 0.0 111.455 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 628' ' ' LYS . . . . . . . . . . . . . 50.3 tttp -113.88 92.12 3.87 Favored 'General case' 0 N--CA 1.497 1.876 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 178.52 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 629' ' ' CYS . . . . . . . . . . . . . 88.8 m -54.18 116.52 2.64 Favored 'General case' 0 N--CA 1.493 1.684 0 CA-C-O 122.353 1.073 . . . . 0.0 111.616 -178.138 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 630' ' ' SER . . . . . . . . . . . . . 40.1 t -142.84 159.87 41.41 Favored 'General case' 0 N--CA 1.493 1.721 0 N-CA-C 107.902 -1.147 . . . . 0.0 107.902 178.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 631' ' ' GLU . . . . . 0.562 ' C ' ' H ' ' B' ' 633' ' ' GLY . 6.9 pt-20 -63.86 -22.99 67.18 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.44 -1.413 . . . . 0.0 109.223 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 52.4 mtp180 -79.29 34.39 0.25 Allowed 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 177.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 633' ' ' GLY . . . . . 0.562 ' H ' ' C ' ' B' ' 631' ' ' GLU . . . 70.74 -170.35 46.56 Favored Glycine 0 N--CA 1.49 2.283 0 N-CA-C 107.487 -2.245 . . . . 0.0 107.487 -178.298 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 634' ' ' VAL . . . . . 0.703 ' H ' HH21 ' B' ' 597' ' ' ARG . 54.8 t -77.4 142.22 14.52 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.438 0 O-C-N 120.399 -1.648 . . . . 0.0 109.052 179.427 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 26.0 m -137.38 139.69 43.25 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.04 0 O-C-N 121.114 -0.991 . . . . 0.0 109.425 179.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 636' ' ' ILE . . . . . . . . . . . . . 88.8 mt -128.7 152.9 37.49 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.022 0 O-C-N 121.62 -0.675 . . . . 0.0 109.362 -179.571 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 637' ' ' ASN . . . . . 0.65 HD21 ' N ' ' B' ' 637' ' ' ASN . 1.1 m120 -85.02 124.49 31.77 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.005 -1.059 . . . . 0.0 109.013 179.398 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 638' ' ' ALA . . . . . 0.417 ' O ' ' OE1' ' B' ' 642' ' ' GLN . . . -46.97 -11.82 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.794 -0.566 . . . . 0.0 110.647 -179.344 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 639' ' ' GLU . . . . . 0.508 ' N ' ' O ' ' B' ' 637' ' ' ASN . 52.4 tt0 -81.56 -20.42 39.98 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.955 -1.091 . . . . 0.0 110.333 -179.543 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 640' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -82.34 -56.81 3.67 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 120.356 -1.465 . . . . 0.0 107.665 178.04 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 641' ' ' VAL . . . . . 0.534 ' O ' ' N ' ' B' ' 644' ' ' ALA . 6.3 p -52.35 -50.84 36.33 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.55 0 O-C-N 120.985 -1.072 . . . . 0.0 108.427 177.604 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 642' ' ' GLN . . . . . 0.417 ' OE1' ' O ' ' B' ' 638' ' ' ALA . 66.0 mt-30 -49.33 -36.15 20.42 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.932 -1.105 . . . . 0.0 108.623 179.503 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 643' ' ' LEU . . . . . . . . . . . . . 50.8 mt -78.6 -20.6 50.11 Favored 'General case' 0 N--CA 1.491 1.59 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 177.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 644' ' ' ALA . . . . . 0.534 ' N ' ' O ' ' B' ' 641' ' ' VAL . . . -86.25 -48.28 8.67 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.993 -1.067 . . . . 0.0 108.553 177.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 645' ' ' LEU . . . . . . . . . . . . . 84.5 mt -60.63 -25.33 66.22 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.016 -1.052 . . . . 0.0 108.928 179.057 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 646' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -93.96 -8.6 39.6 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.386 -0.821 . . . . 0.0 109.601 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 647' ' ' LYS . . . . . 0.561 ' C ' ' H ' ' B' ' 649' ' ' MET . 27.2 ttpp -74.44 -83.67 0.05 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.149 -0.969 . . . . 0.0 110.383 -179.204 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 648' ' ' HIS . . . . . . . . . . . . . 2.6 p80 -67.81 29.5 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.087 -1.008 . . . . 0.0 110.495 -178.365 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 649' ' ' MET . . . . . 0.561 ' H ' ' C ' ' B' ' 647' ' ' LYS . 4.8 tpt -91.26 103.8 16.42 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.911 -1.118 . . . . 0.0 109.31 -179.712 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 650' ' ' ASN . . . . . . . . . . . . . 61.5 t-20 . . . . . 0 N--CA 1.489 1.507 0 CA-C-O 117.928 -1.034 . . . . 0.0 109.475 179.994 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 301' ' ' GLU . . . . . 0.421 ' OE2' ' N ' ' A' ' 302' ' ' PHE . 1.4 pp20? . . . . . 0 N--CA 1.495 1.797 0 N-CA-C 106.821 -1.548 . . . . 0.0 106.821 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 302' ' ' PHE . . . . . 0.421 ' N ' ' OE2' ' A' ' 301' ' ' GLU . 47.0 t80 -68.74 -65.34 0.71 Allowed 'General case' 0 C--N 1.302 -1.475 0 CA-C-N 114.363 -1.29 . . . . 0.0 109.274 178.451 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 303' ' ' CYS . . . . . . . . . . . . . 5.4 t -65.41 -35.25 80.38 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.18 -0.95 . . . . 0.0 109.632 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 7.0 t -52.59 -31.67 37.47 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.59 -0.694 . . . . 0.0 111.325 -178.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . 43.0 mtpt -99.85 -14.88 18.6 Favored 'General case' 0 N--CA 1.507 2.407 0 O-C-N 120.917 -1.115 . . . . 0.0 109.257 178.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 306' ' ' MET . . . . . . . . . . . . . 31.1 mmm -73.23 -24.63 60.51 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 120.317 -1.489 . . . . 0.0 107.215 176.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 307' ' ' ASN . . . . . 0.418 ' O ' ' C ' ' A' ' 308' ' ' GLN . 35.5 t30 -85.15 -37.8 19.77 Favored 'General case' 0 N--CA 1.495 1.804 0 N-CA-C 106.467 -1.679 . . . . 0.0 106.467 178.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 308' ' ' GLN . . . . . 0.559 ' O ' ' N ' ' A' ' 310' ' ' CYS . 8.0 tt0 -38.38 -38.47 0.37 Allowed 'General case' 0 N--CA 1.504 2.237 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 178.541 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 309' ' ' VAL . . . . . . . . . . . . . 13.5 p -45.28 -14.17 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.501 2.08 0 O-C-N 121.716 -0.615 . . . . 0.0 109.392 178.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 310' ' ' CYS . . . . . 0.559 ' N ' ' O ' ' A' ' 308' ' ' GLN . 3.0 t -81.95 -61.56 1.88 Allowed 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.238 -0.914 . . . . 0.0 109.761 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 311' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.271 0 N-CA-C 109.882 -1.287 . . . . 0.0 109.882 -179.66 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 593' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.26 0 N-CA-C 109.326 -1.51 . . . . 0.0 109.326 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 594' ' ' SER . . . . . . . . . . . . . 68.5 m -82.97 166.03 19.19 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.099 -1.236 . . . . 0.0 110.242 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 595' ' ' LEU . . . . . 0.514 ' CD2' ' N ' ' B' ' 595' ' ' LEU . 3.9 mm? -96.01 125.77 40.79 Favored 'General case' 0 C--N 1.301 -1.507 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 179.699 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 596' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -128.34 152.73 47.81 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.365 -0.835 . . . . 0.0 109.558 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 597' ' ' ARG . . . . . . . . . . . . . 27.9 mtp180 -97.75 -138.03 0.28 Allowed 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.373 -0.829 . . . . 0.0 110.426 -178.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 598' ' ' CYS . . . . . 0.412 ' C ' ' N ' ' B' ' 600' ' ' GLU . 2.6 p -86.91 -93.71 0.09 Allowed 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.447 -0.783 . . . . 0.0 110.367 -179.014 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 599' ' ' SER . . . . . 0.424 ' O ' ' N ' ' B' ' 602' ' ' TRP . 15.2 m -44.91 -25.34 0.3 Allowed 'General case' 0 N--CA 1.497 1.923 0 CA-C-O 122.175 0.988 . . . . 0.0 109.003 -179.651 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 600' ' ' GLU . . . . . 0.415 ' O ' ' OE1' ' B' ' 600' ' ' GLU . 2.0 tm-20 -45.16 -41.81 8.47 Favored 'General case' 0 C--N 1.303 -1.434 0 CA-C-O 122.672 1.225 . . . . 0.0 108.697 178.746 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 601' ' ' ILE . . . . . 0.537 ' O ' ' N ' ' B' ' 604' ' ' ARG . 2.5 mt -70.67 -32.8 50.58 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.301 0 CA-C-N 115.474 -0.785 . . . . 0.0 108.931 -177.663 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 602' ' ' TRP . . . . . 0.424 ' N ' ' O ' ' B' ' 599' ' ' SER . 61.6 t-105 -45.33 -36.83 4.39 Favored 'General case' 0 N--CA 1.492 1.658 0 N-CA-C 107.395 -1.335 . . . . 0.0 107.395 179.397 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 603' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -70.38 -43.43 70.12 Favored 'General case' 0 C--N 1.303 -1.443 0 N-CA-C 107.798 -1.186 . . . . 0.0 107.798 177.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 604' ' ' ARG . . . . . 0.594 HH21 HE22 ' B' ' 642' ' ' GLN . 0.2 OUTLIER -56.14 -30.19 61.8 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.248 -0.908 . . . . 0.0 108.839 179.063 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 605' ' ' ILE . . . . . . . . . . . . . 97.2 mt -79.93 -45.25 22.88 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 O-C-N 121.261 -0.899 . . . . 0.0 110.102 179.487 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 606' ' ' THR . . . . . . . . . . . . . 30.5 p . . . . . 0 N--CA 1.492 1.626 0 O-C-N 120.943 -1.098 . . . . 0.0 110.188 -179.253 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 614' ' ' ILE . . . . . 0.482 ' CG2' ' H ' ' B' ' 615' ' ' ASP . 76.6 mt . . . . . 0 N--CA 1.5 2.028 0 CA-C-O 121.16 0.505 . . . . 0.0 109.677 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 615' ' ' ASP . . . . . 0.482 ' H ' ' CG2' ' B' ' 614' ' ' ILE . 1.1 m-20 -127.76 117.86 22.67 Favored 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 179.421 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 616' ' ' VAL . . . . . . . . . . . . . 58.9 t -82.22 -16.27 11.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.48 -0.762 . . . . 0.0 109.522 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 617' ' ' ASP . . . . . 0.494 ' OD1' ' N ' ' B' ' 618' ' ' GLY . 1.7 p30 -66.29 -46.24 77.67 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.26 -0.9 . . . . 0.0 110.783 -178.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 618' ' ' GLY . . . . . 0.494 ' N ' ' OD1' ' B' ' 617' ' ' ASP . . . -66.63 -32.91 82.86 Favored Glycine 0 N--CA 1.492 2.391 0 C-N-CA 119.773 -1.204 . . . . 0.0 110.301 -179.132 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 619' ' ' LEU . . . . . . . . . . . . . 4.3 mt -68.15 -19.78 64.84 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 120.899 -1.353 . . . . 0.0 108.184 179.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 620' ' ' CYS . . . . . . . . . . . . . 15.7 t -73.85 -52.52 12.75 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.539 -0.726 . . . . 0.0 110.815 -179.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 86.3 p -83.03 -1.78 53.57 Favored 'General case' 0 N--CA 1.503 2.178 0 O-C-N 120.642 -1.287 . . . . 0.0 110.262 -179.252 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 622' ' ' GLU . . . . . 0.426 ' OE1' ' O ' ' B' ' 618' ' ' GLY . 47.2 mt-10 -98.07 -48.14 5.24 Favored 'General case' 0 C--N 1.297 -1.705 0 O-C-N 121.275 -0.891 . . . . 0.0 109.428 178.584 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 623' ' ' LEU . . . . . 0.421 ' CD2' ' CD1' ' B' ' 601' ' ' ILE . 7.3 mp -87.38 -19.32 28.28 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 120.861 -1.149 . . . . 0.0 110.742 -179.444 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 624' ' ' MET . . . . . 0.45 ' SD ' ' C ' ' B' ' 624' ' ' MET . 2.1 tmt? -69.49 -28.0 65.69 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 120.617 -1.302 . . . . 0.0 111.107 -178.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 625' ' ' ALA . . . . . 0.416 ' C ' ' N ' ' B' ' 627' ' ' ALA . . . -104.48 -39.01 6.57 Favored 'General case' 0 N--CA 1.503 2.211 0 O-C-N 120.863 -1.148 . . . . 0.0 108.865 179.308 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 626' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -61.02 -15.35 31.09 Favored 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 106.48 -1.674 . . . . 0.0 106.48 177.359 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 627' ' ' ALA . . . . . 0.416 ' N ' ' C ' ' B' ' 625' ' ' ALA . . . -47.76 147.65 1.84 Allowed 'General case' 0 N--CA 1.49 1.545 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.652 -179.557 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 628' ' ' LYS . . . . . . . . . . . . . 58.8 tttp -121.71 87.15 2.7 Favored 'General case' 0 N--CA 1.496 1.848 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 178.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 629' ' ' CYS . . . . . . . . . . . . . 16.6 t -50.55 133.11 25.5 Favored 'General case' 0 N--CA 1.495 1.78 0 CA-C-O 122.349 1.071 . . . . 0.0 111.931 -177.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 630' ' ' SER . . . . . . . . . . . . . 8.5 t -142.88 160.03 41.11 Favored 'General case' 0 N--CA 1.493 1.676 0 N-CA-C 107.481 -1.303 . . . . 0.0 107.481 178.223 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 631' ' ' GLU . . . . . . . . . . . . . 48.5 tt0 -65.8 -20.61 66.32 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.342 -1.474 . . . . 0.0 109.891 -179.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 11.1 tpt180 -82.66 -15.9 50.3 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.916 -1.115 . . . . 0.0 108.051 178.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 633' ' ' GLY . . . . . . . . . . . . . . . 132.67 -175.07 20.17 Favored Glycine 0 N--CA 1.497 2.764 0 N-CA-C 108.508 -1.837 . . . . 0.0 108.508 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 634' ' ' VAL . . . . . . . . . . . . . 1.4 p -76.8 145.05 10.88 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.347 0 O-C-N 120.819 -1.401 . . . . 0.0 109.461 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 36.0 m -141.04 138.71 34.1 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.835 0 O-C-N 121.146 -0.971 . . . . 0.0 108.879 178.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 636' ' ' ILE . . . . . . . . . . . . . 95.2 mt -133.25 154.36 39.1 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.004 0 O-C-N 121.527 -0.733 . . . . 0.0 109.447 -179.478 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 637' ' ' ASN . . . . . 0.507 ' C ' ' H ' ' B' ' 639' ' ' GLU . 9.4 t-20 -84.36 136.25 33.96 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.267 -0.896 . . . . 0.0 109.584 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -49.18 -9.47 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.614 -0.679 . . . . 0.0 110.509 179.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 639' ' ' GLU . . . . . 0.507 ' H ' ' C ' ' B' ' 637' ' ' ASN . 51.1 tt0 -80.94 -23.94 38.51 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.762 -1.211 . . . . 0.0 111.242 -179.321 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 640' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -85.72 -59.82 2.2 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 120.137 -1.602 . . . . 0.0 108.192 178.148 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 641' ' ' VAL . . . . . 0.483 ' CG1' ' N ' ' B' ' 642' ' ' GLN . 11.8 p -48.6 -52.49 8.78 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 120.957 -1.089 . . . . 0.0 108.747 178.085 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 642' ' ' GLN . . . . . 0.594 HE22 HH21 ' B' ' 604' ' ' ARG . 8.3 tp-100 -54.84 -33.39 61.64 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.98 -1.075 . . . . 0.0 109.073 179.51 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 643' ' ' LEU . . . . . . . . . . . . . 9.6 tp -77.82 -22.74 49.54 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.239 -0.913 . . . . 0.0 108.588 178.348 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 644' ' ' ALA . . . . . . . . . . . . . . . -87.58 -53.37 4.83 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.049 -1.032 . . . . 0.0 108.655 178.144 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 645' ' ' LEU . . . . . . . . . . . . . 75.1 mt -55.88 -26.82 48.95 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.19 -0.944 . . . . 0.0 109.608 179.411 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 646' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -93.82 -7.38 43.5 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.0 -1.062 . . . . 0.0 110.102 -179.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 647' ' ' LYS . . . . . . . . . . . . . 56.0 tttm -92.79 -12.75 30.43 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.046 -1.034 . . . . 0.0 110.02 -179.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 648' ' ' HIS . . . . . 0.404 ' NE2' ' CD ' ' B' ' 622' ' ' GLU . 5.0 m-70 -117.22 15.17 14.92 Favored 'General case' 0 N--CA 1.502 2.168 0 O-C-N 121.355 -0.84 . . . . 0.0 109.894 -179.5 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 649' ' ' MET . . . . . . . . . . . . . 18.5 ttm -96.77 102.87 14.73 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.226 -0.921 . . . . 0.0 109.615 -179.368 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 650' ' ' ASN . . . . . . . . . . . . . 30.4 m120 . . . . . 0 N--CA 1.49 1.553 0 CA-C-O 117.998 -1.001 . . . . 0.0 109.481 179.928 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 301' ' ' GLU . . . . . 0.515 ' CD ' ' H ' ' A' ' 301' ' ' GLU . 11.5 mp0 . . . . . 0 N--CA 1.493 1.675 0 N-CA-C 105.964 -1.865 . . . . 0.0 105.964 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 302' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -72.94 -64.78 0.9 Allowed 'General case' 0 C--N 1.306 -1.32 0 CA-C-N 114.263 -1.335 . . . . 0.0 109.377 178.299 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 303' ' ' CYS . . . . . . . . . . . . . 9.7 m -63.25 -47.55 81.96 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.238 -0.914 . . . . 0.0 109.993 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 34.5 t -49.23 -32.67 11.05 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.348 -0.845 . . . . 0.0 110.949 -179.125 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . 11.0 mptt -100.33 -13.46 18.79 Favored 'General case' 0 N--CA 1.503 2.194 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 178.414 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 306' ' ' MET . . . . . . . . . . . . . 5.4 ttt -73.79 -29.13 62.01 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 120.487 -1.383 . . . . 0.0 107.523 177.292 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 307' ' ' ASN . . . . . 0.442 ' O ' ' C ' ' A' ' 308' ' ' GLN . 33.2 m120 -82.38 -40.12 21.76 Favored 'General case' 0 N--CA 1.492 1.625 0 N-CA-C 106.299 -1.741 . . . . 0.0 106.299 179.46 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 308' ' ' GLN . . . . . 0.522 ' O ' ' N ' ' A' ' 310' ' ' CYS . 5.8 tm0? -36.75 -39.71 0.23 Allowed 'General case' 0 N--CA 1.502 2.14 0 CA-C-O 121.54 0.686 . . . . 0.0 109.25 178.816 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 309' ' ' VAL . . . . . . . . . . . . . 17.5 m -44.66 -17.67 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.499 2.007 0 CA-C-O 121.553 0.692 . . . . 0.0 109.292 178.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 310' ' ' CYS . . . . . 0.522 ' N ' ' O ' ' A' ' 308' ' ' GLN . 7.4 m -93.21 25.94 3.1 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.546 -0.722 . . . . 0.0 109.211 179.68 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 311' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 308' ' ' GLN . . . . . . . . 0 N--CA 1.49 2.3 0 N-CA-C 109.526 -1.43 . . . . 0.0 109.526 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 593' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.27 0 N-CA-C 109.37 -1.492 . . . . 0.0 109.37 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 594' ' ' SER . . . . . . . . . . . . . 67.1 m -83.33 165.6 19.17 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.17 -1.194 . . . . 0.0 110.054 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 595' ' ' LEU . . . . . 0.533 ' CD1' ' N ' ' B' ' 595' ' ' LEU . 7.4 mp -92.08 123.61 35.56 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 179.705 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 596' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -125.94 148.0 49.35 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.348 -0.845 . . . . 0.0 109.284 -179.659 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 597' ' ' ARG . . . . . 0.536 ' NH1' ' O ' ' B' ' 632' ' ' ARG . 2.4 tpp180 -89.67 -147.72 0.18 Allowed 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.434 -0.791 . . . . 0.0 111.025 -178.201 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 598' ' ' CYS . . . . . 0.505 ' H ' ' CG ' ' B' ' 597' ' ' ARG . 9.3 t -79.83 -92.25 0.05 OUTLIER 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.637 -0.665 . . . . 0.0 110.73 -178.774 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 599' ' ' SER . . . . . 0.49 ' N ' ' SG ' ' B' ' 598' ' ' CYS . 13.7 m -44.79 -20.88 0.04 OUTLIER 'General case' 0 N--CA 1.497 1.91 0 CA-C-O 122.267 1.032 . . . . 0.0 108.971 -179.525 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 600' ' ' GLU . . . . . 0.497 ' N ' ' O ' ' B' ' 598' ' ' CYS . 4.5 tp10 -48.9 -45.93 41.99 Favored 'General case' 0 C--N 1.297 -1.675 0 CA-C-O 122.96 1.362 . . . . 0.0 108.603 179.079 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 601' ' ' ILE . . . . . 0.57 ' O ' ' N ' ' B' ' 604' ' ' ARG . 1.1 mp -64.18 -33.66 63.92 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.188 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 -178.073 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 602' ' ' TRP . . . . . . . . . . . . . 48.1 t-105 -46.99 -41.33 16.12 Favored 'General case' 0 N--CA 1.493 1.712 0 N-CA-C 107.56 -1.274 . . . . 0.0 107.56 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 603' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -60.19 -41.03 92.04 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 107.138 -1.43 . . . . 0.0 107.138 177.432 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 604' ' ' ARG . . . . . 0.57 ' N ' ' O ' ' B' ' 601' ' ' ILE . 12.3 tpt180 -55.94 -46.23 78.57 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.518 -0.739 . . . . 0.0 109.091 178.6 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 605' ' ' ILE . . . . . . . . . . . . . 1.8 mp -62.33 -44.87 99.65 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.92 0 O-C-N 121.237 -0.914 . . . . 0.0 109.14 178.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 606' ' ' THR . . . . . . . . . . . . . 66.7 p . . . . . 0 N--CA 1.491 1.59 0 O-C-N 120.904 -1.123 . . . . 0.0 110.195 -179.062 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 614' ' ' ILE . . . . . 0.463 ' CG2' ' N ' ' B' ' 615' ' ' ASP . 75.4 mt . . . . . 0 N--CA 1.493 1.7 0 CA-C-O 121.681 0.753 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 615' ' ' ASP . . . . . 0.463 ' N ' ' CG2' ' B' ' 614' ' ' ILE . 40.9 t0 -127.15 116.44 20.65 Favored 'General case' 0 N--CA 1.493 1.7 0 N-CA-C 107.91 -1.144 . . . . 0.0 107.91 179.324 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 616' ' ' VAL . . . . . . . . . . . . . 16.1 m -79.81 -15.97 13.07 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 121.518 -0.739 . . . . 0.0 109.452 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 617' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -70.12 -40.32 74.92 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.287 -0.883 . . . . 0.0 109.839 -179.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 618' ' ' GLY . . . . . . . . . . . . . . . -68.14 -41.13 87.55 Favored Glycine 0 N--CA 1.49 2.245 0 N-CA-C 110.055 -1.218 . . . . 0.0 110.055 -179.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 619' ' ' LEU . . . . . . . . . . . . . 9.3 mt -59.64 -28.92 67.65 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.054 -1.262 . . . . 0.0 108.823 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 620' ' ' CYS . . . . . . . . . . . . . 44.7 t -67.57 -51.65 47.98 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.397 -0.814 . . . . 0.0 110.869 -178.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 89.9 p -81.11 -2.0 46.59 Favored 'General case' 0 N--CA 1.5 2.06 0 O-C-N 120.441 -1.412 . . . . 0.0 109.811 -179.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 622' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -100.47 -46.98 5.05 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.268 -0.895 . . . . 0.0 109.41 178.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 623' ' ' LEU . . . . . . . . . . . . . 6.3 mt -86.24 -18.35 32.33 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 120.571 -1.33 . . . . 0.0 110.216 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 624' ' ' MET . . . . . 0.461 ' SD ' ' O ' ' B' ' 624' ' ' MET . 1.1 tmt? -76.88 -26.47 54.22 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 120.747 -1.221 . . . . 0.0 111.75 -178.231 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 625' ' ' ALA . . . . . 0.515 ' C ' ' H ' ' B' ' 627' ' ' ALA . . . -105.45 -30.14 9.77 Favored 'General case' 0 N--CA 1.507 2.39 0 O-C-N 120.717 -1.239 . . . . 0.0 109.967 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 626' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -62.26 -8.27 5.52 Favored 'General case' 0 N--CA 1.49 1.533 0 N-CA-C 106.028 -1.842 . . . . 0.0 106.028 177.089 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 627' ' ' ALA . . . . . 0.515 ' H ' ' C ' ' B' ' 625' ' ' ALA . . . -46.08 143.67 2.21 Favored 'General case' 0 N--CA 1.49 1.542 0 CA-C-N 115.305 -0.862 . . . . 0.0 111.936 -179.686 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 628' ' ' LYS . . . . . . . . . . . . . 66.1 mmtt -118.21 96.16 5.2 Favored 'General case' 0 N--CA 1.495 1.819 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 178.435 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 629' ' ' CYS . . . . . . . . . . . . . 18.3 t -56.48 120.46 7.73 Favored 'General case' 0 N--CA 1.494 1.765 0 CA-C-O 122.333 1.063 . . . . 0.0 111.83 -178.041 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 630' ' ' SER . . . . . . . . . . . . . 45.8 t -143.06 158.89 43.19 Favored 'General case' 0 N--CA 1.495 1.784 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 178.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 631' ' ' GLU . . . . . 0.586 ' C ' ' H ' ' B' ' 633' ' ' GLY . 2.4 mp0 -64.17 -23.3 67.26 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.266 -1.521 . . . . 0.0 108.87 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 632' ' ' ARG . . . . . 0.573 ' CG ' HH11 ' B' ' 632' ' ' ARG . 0.1 OUTLIER -78.09 34.78 0.2 Allowed 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 107.279 -1.378 . . . . 0.0 107.279 177.649 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 633' ' ' GLY . . . . . 0.586 ' H ' ' C ' ' B' ' 631' ' ' GLU . . . 68.74 -169.25 42.15 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 107.219 -2.353 . . . . 0.0 107.219 -178.069 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 634' ' ' VAL . . . . . . . . . . . . . 7.5 p -77.31 142.21 14.54 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.535 0 O-C-N 120.22 -1.753 . . . . 0.0 109.612 179.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 17.1 m -136.97 138.38 45.94 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.958 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 178.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 636' ' ' ILE . . . . . . . . . . . . . 97.6 mt -135.32 155.06 36.67 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.975 0 O-C-N 121.494 -0.754 . . . . 0.0 109.473 -179.138 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 637' ' ' ASN . . . . . 0.472 ' C ' ' H ' ' B' ' 639' ' ' GLU . 3.4 m-80 -88.59 139.0 30.92 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.157 -0.964 . . . . 0.0 110.292 -179.382 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -49.39 -9.9 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.704 -0.622 . . . . 0.0 110.893 179.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 639' ' ' GLU . . . . . 0.472 ' H ' ' C ' ' B' ' 637' ' ' ASN . 7.3 tm-20 -76.26 -18.31 59.06 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.882 -1.136 . . . . 0.0 109.887 179.343 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 640' ' ' ASP . . . . . 0.525 ' N ' ' OD1' ' B' ' 640' ' ' ASP . 0.6 OUTLIER -86.93 -55.8 3.68 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 120.333 -1.479 . . . . 0.0 108.658 177.811 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 641' ' ' VAL . . . . . 0.449 HG13 ' H ' ' B' ' 642' ' ' GLN . 0.3 OUTLIER -53.93 -52.95 31.17 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 O-C-N 120.661 -1.274 . . . . 0.0 108.259 178.843 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 642' ' ' GLN . . . . . 0.449 ' H ' HG13 ' B' ' 641' ' ' VAL . 33.9 mt-30 -55.44 -34.16 64.22 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.088 -1.007 . . . . 0.0 109.194 179.796 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 643' ' ' LEU . . . . . . . . . . . . . 35.6 tp -82.06 -23.62 35.73 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.283 -0.886 . . . . 0.0 108.868 178.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 644' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' B' ' 640' ' ' ASP . . . -86.13 -40.01 16.12 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 120.927 -1.108 . . . . 0.0 108.956 178.643 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 645' ' ' LEU . . . . . 0.54 ' O ' ' N ' ' B' ' 647' ' ' LYS . 82.7 mt -70.61 -68.6 0.42 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.738 -1.226 . . . . 0.0 109.257 178.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 646' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -47.12 -9.95 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.187 -0.946 . . . . 0.0 110.744 -179.232 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 647' ' ' LYS . . . . . 0.54 ' N ' ' O ' ' B' ' 645' ' ' LEU . 52.9 tttp -88.85 -12.86 40.69 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 120.828 -1.17 . . . . 0.0 109.917 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 648' ' ' HIS . . . . . . . . . . . . . 62.4 m-70 -112.37 19.57 17.51 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 121.385 -0.822 . . . . 0.0 109.14 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 649' ' ' MET . . . . . . . . . . . . . 23.7 mmt -96.47 129.25 43.88 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.271 -0.893 . . . . 0.0 109.514 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 650' ' ' ASN . . . . . . . . . . . . . 30.3 m120 . . . . . 0 N--CA 1.491 1.59 0 CA-C-O 118.019 -0.991 . . . . 0.0 109.444 -179.942 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 301' ' ' GLU . . . . . 0.431 ' OE2' ' O ' ' A' ' 301' ' ' GLU . 0.8 OUTLIER . . . . . 0 N--CA 1.49 1.542 0 CA-C-O 121.353 0.597 . . . . 0.0 109.485 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 302' ' ' PHE . . . . . . . . . . . . . 31.4 t80 -61.26 -60.62 3.46 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.392 -0.818 . . . . 0.0 109.323 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 303' ' ' CYS . . . . . . . . . . . . . 7.0 t -79.53 -49.21 12.58 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.252 -0.905 . . . . 0.0 110.173 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 31.3 t -52.89 -25.79 12.81 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.385 -0.822 . . . . 0.0 110.76 -179.124 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . 32.4 ttpt -98.57 -14.8 19.77 Favored 'General case' 0 N--CA 1.504 2.26 0 O-C-N 120.994 -1.066 . . . . 0.0 108.141 178.409 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 306' ' ' MET . . . . . . . . . . . . . 36.8 ttm -74.67 -21.41 59.43 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 176.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 307' ' ' ASN . . . . . 0.46 ' O ' ' N ' ' A' ' 310' ' ' CYS . 74.0 m-20 -84.62 -40.29 17.65 Favored 'General case' 0 N--CA 1.492 1.666 0 N-CA-C 106.033 -1.84 . . . . 0.0 106.033 178.296 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 308' ' ' GLN . . . . . 0.527 ' O ' ' N ' ' A' ' 311' ' ' GLY . 32.0 tp60 -38.39 -43.61 0.84 Allowed 'General case' 0 N--CA 1.502 2.139 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.375 178.22 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 309' ' ' VAL . . . . . . . . . . . . . 42.6 t -46.91 -16.36 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.893 0 CA-C-O 122.133 0.968 . . . . 0.0 108.951 179.497 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 310' ' ' CYS . . . . . 0.52 ' N ' ' O ' ' A' ' 308' ' ' GLN . 47.1 m -88.38 12.75 13.34 Favored 'General case' 0 C--N 1.302 -1.459 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.652 179.551 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 311' ' ' GLY . . . . . 0.527 ' N ' ' O ' ' A' ' 308' ' ' GLN . . . . . . . . 0 N--CA 1.493 2.453 0 N-CA-C 109.411 -1.476 . . . . 0.0 109.411 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 593' ' ' GLY . . . . . 0.515 ' O ' ' ND2' ' B' ' 637' ' ' ASN . . . . . . . . 0 N--CA 1.488 2.133 0 N-CA-C 109.062 -1.615 . . . . 0.0 109.062 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 594' ' ' SER . . . . . . . . . . . . . 57.9 m -90.93 164.25 14.08 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.127 -1.219 . . . . 0.0 110.34 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 595' ' ' LEU . . . . . . . . . . . . . 30.4 mt -81.41 118.7 22.9 Favored 'General case' 0 C--N 1.299 -1.612 0 N-CA-C 108.75 -0.834 . . . . 0.0 108.75 179.234 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 596' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -126.98 153.88 45.31 Favored 'General case' 0 N--CA 1.506 2.341 0 O-C-N 121.461 -0.774 . . . . 0.0 109.101 -179.078 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 597' ' ' ARG . . . . . 0.558 HH11 ' CG ' ' B' ' 597' ' ' ARG . 3.4 mtt-85 -103.45 -144.48 0.36 Allowed 'General case' 0 N--CA 1.501 2.107 0 O-C-N 121.418 -0.801 . . . . 0.0 111.359 -178.309 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 598' ' ' CYS . . . . . 0.492 ' O ' ' N ' ' B' ' 600' ' ' GLU . 5.1 p -76.02 -99.73 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.619 -0.676 . . . . 0.0 111.226 -178.366 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 599' ' ' SER . . . . . 0.412 ' N ' ' SG ' ' B' ' 598' ' ' CYS . 1.8 t -43.79 -21.6 0.04 OUTLIER 'General case' 0 N--CA 1.497 1.906 0 CA-C-O 121.855 0.836 . . . . 0.0 109.526 -178.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 600' ' ' GLU . . . . . 0.492 ' N ' ' O ' ' B' ' 598' ' ' CYS . 9.6 tp10 -46.72 -40.75 13.95 Favored 'General case' 0 C--N 1.302 -1.481 0 CA-C-O 122.961 1.363 . . . . 0.0 108.459 179.039 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 601' ' ' ILE . . . . . 0.528 ' O ' ' N ' ' B' ' 604' ' ' ARG . 1.1 mp -70.51 -35.8 63.26 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.151 0 CA-C-N 115.243 -0.89 . . . . 0.0 108.932 -178.759 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 602' ' ' TRP . . . . . 0.409 ' C ' ' O ' ' B' ' 601' ' ' ILE . 72.9 t-105 -44.22 -38.07 3.57 Favored 'General case' 0 N--CA 1.496 1.837 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 603' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -69.71 -42.6 73.83 Favored 'General case' 0 C--N 1.302 -1.463 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 177.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 604' ' ' ARG . . . . . 0.528 ' N ' ' O ' ' B' ' 601' ' ' ILE . 13.6 tpt180 -58.05 -27.76 63.9 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.441 -0.787 . . . . 0.0 110.02 179.256 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 605' ' ' ILE . . . . . . . . . . . . . 69.5 mt -84.25 -42.87 17.29 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.922 0 O-C-N 121.372 -0.83 . . . . 0.0 110.637 -179.214 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 606' ' ' THR . . . . . . . . . . . . . 40.9 p . . . . . 0 N--CA 1.492 1.656 0 O-C-N 120.936 -1.103 . . . . 0.0 110.056 -179.233 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 614' ' ' ILE . . . . . 0.519 ' CG2' ' H ' ' B' ' 615' ' ' ASP . 94.5 mt . . . . . 0 N--CA 1.5 2.051 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 615' ' ' ASP . . . . . 0.519 ' H ' ' CG2' ' B' ' 614' ' ' ILE . 3.6 m-20 -113.26 109.89 19.48 Favored 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 107.179 -1.415 . . . . 0.0 107.179 178.44 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 616' ' ' VAL . . . . . 0.499 ' O ' ' SG ' ' B' ' 620' ' ' CYS . 1.4 p -78.52 -16.32 13.71 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.57 0 O-C-N 121.354 -0.841 . . . . 0.0 109.16 -179.105 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 617' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -77.02 -39.21 51.02 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.308 -0.87 . . . . 0.0 110.462 -179.446 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 618' ' ' GLY . . . . . . . . . . . . . . . -69.78 -49.59 35.11 Favored Glycine 0 N--CA 1.489 2.206 0 N-CA-C 109.785 -1.326 . . . . 0.0 109.785 -179.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 619' ' ' LEU . . . . . 0.443 ' CD1' ' C ' ' B' ' 619' ' ' LEU . 3.5 pp -60.63 -21.28 62.55 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.087 -1.243 . . . . 0.0 109.278 -179.785 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 620' ' ' CYS . . . . . 0.499 ' SG ' ' O ' ' B' ' 616' ' ' VAL . 32.9 m -69.19 -40.75 77.86 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.862 -1.149 . . . . 0.0 109.524 179.207 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 84.1 p -81.88 -2.5 51.38 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 120.839 -1.163 . . . . 0.0 109.637 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 622' ' ' GLU . . . . . 0.529 ' CD ' ' HZ1' ' B' ' 647' ' ' LYS . 53.1 mt-10 -98.25 -47.66 5.37 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.063 -1.023 . . . . 0.0 108.683 177.043 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 623' ' ' LEU . . . . . . . . . . . . . 8.2 mp -74.81 -25.97 59.4 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.792 -1.192 . . . . 0.0 109.815 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 624' ' ' MET . . . . . 0.487 ' SD ' ' O ' ' B' ' 620' ' ' CYS . 58.5 mtp -73.66 -31.35 63.44 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.938 -1.101 . . . . 0.0 111.775 -178.114 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 625' ' ' ALA . . . . . . . . . . . . . . . -98.37 -15.8 19.56 Favored 'General case' 0 N--CA 1.504 2.244 0 O-C-N 120.726 -1.234 . . . . 0.0 108.752 179.056 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 626' ' ' LYS . . . . . . . . . . . . . 54.5 mmtt -80.89 -10.9 59.67 Favored 'General case' 0 C--N 1.299 -1.587 0 N-CA-C 104.902 -2.258 . . . . 0.0 104.902 175.158 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 627' ' ' ALA . . . . . . . . . . . . . . . -49.99 104.38 0.07 Allowed 'General case' 0 N--CA 1.489 1.488 0 CA-C-N 114.666 -1.152 . . . . 0.0 111.379 -179.606 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 628' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -80.13 89.92 5.44 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 106.706 -1.59 . . . . 0.0 106.706 177.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 629' ' ' CYS . . . . . . . . . . . . . 63.7 m -55.56 139.3 44.6 Favored 'General case' 0 N--CA 1.493 1.69 0 CA-C-O 122.399 1.095 . . . . 0.0 112.188 -177.314 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 630' ' ' SER . . . . . . . . . . . . . 5.3 t -141.9 162.22 36.02 Favored 'General case' 0 N--CA 1.494 1.753 0 N-CA-C 107.369 -1.345 . . . . 0.0 107.369 178.294 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 631' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -68.09 -28.7 67.57 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.463 -1.398 . . . . 0.0 110.374 -178.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 21.3 mmt180 -76.28 -16.74 59.72 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.753 -1.217 . . . . 0.0 108.622 179.483 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 633' ' ' GLY . . . . . . . . . . . . . . . 140.79 -178.41 20.1 Favored Glycine 0 N--CA 1.496 2.654 0 N-CA-C 108.466 -1.853 . . . . 0.0 108.466 -179.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 634' ' ' VAL . . . . . . . . . . . . . 32.1 m -78.59 157.8 4.88 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.335 0 O-C-N 120.516 -1.579 . . . . 0.0 110.155 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 1.7 m -148.26 139.03 17.26 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 178.081 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 636' ' ' ILE . . . . . . . . . . . . . 61.2 mt -129.0 144.67 37.46 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.993 0 O-C-N 121.526 -0.734 . . . . 0.0 109.503 -179.286 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 637' ' ' ASN . . . . . 0.515 ' ND2' ' O ' ' B' ' 593' ' ' GLY . 12.3 t-20 -84.01 135.78 34.3 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.298 -0.876 . . . . 0.0 108.842 179.417 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -49.34 -10.77 0.04 OUTLIER 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.363 -0.836 . . . . 0.0 109.962 -179.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 639' ' ' GLU . . . . . 0.502 ' H ' ' C ' ' B' ' 637' ' ' ASN . 6.1 tm-20 -83.15 -26.66 30.72 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.123 -0.986 . . . . 0.0 111.383 -178.656 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 640' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -78.11 -47.99 16.99 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 119.853 -1.779 . . . . 0.0 107.794 178.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 641' ' ' VAL . . . . . 0.418 ' O ' ' N ' ' B' ' 644' ' ' ALA . 4.7 p -57.9 -51.36 71.52 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.623 0 O-C-N 121.256 -0.902 . . . . 0.0 108.659 177.387 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 642' ' ' GLN . . . . . 0.453 ' O ' ' ND2' ' B' ' 646' ' ' ASN . 26.3 mt-30 -48.1 -33.72 8.64 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 120.803 -1.185 . . . . 0.0 109.277 179.734 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 643' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -79.3 -24.73 42.65 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.273 -0.892 . . . . 0.0 109.373 178.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 644' ' ' ALA . . . . . 0.418 ' N ' ' O ' ' B' ' 641' ' ' VAL . . . -86.2 -35.44 20.06 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 120.557 -1.339 . . . . 0.0 109.777 178.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 645' ' ' LEU . . . . . . . . . . . . . 81.3 mt -76.09 -23.68 54.99 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.763 -1.211 . . . . 0.0 109.122 179.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 646' ' ' ASN . . . . . 0.652 ' N ' HD21 ' B' ' 646' ' ' ASN . 0.8 OUTLIER -93.53 -12.06 30.48 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.359 -0.838 . . . . 0.0 110.033 -179.856 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 647' ' ' LYS . . . . . 0.529 ' HZ1' ' CD ' ' B' ' 622' ' ' GLU . 37.9 ttpt -67.7 -80.06 0.05 OUTLIER 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.994 -1.066 . . . . 0.0 110.538 -179.209 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 648' ' ' HIS . . . . . 0.609 ' CD2' ' H ' ' B' ' 648' ' ' HIS . 0.1 OUTLIER -74.69 35.71 0.1 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.22 -0.925 . . . . 0.0 110.004 -178.696 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 649' ' ' MET . . . . . 0.476 ' H ' ' C ' ' B' ' 647' ' ' LYS . 0.8 OUTLIER -93.0 135.69 33.93 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.964 -1.085 . . . . 0.0 109.512 -179.946 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 650' ' ' ASN . . . . . . . . . . . . . 48.4 t30 . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 117.98 -1.01 . . . . 0.0 109.505 179.983 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 301' ' ' GLU . . . . . 0.443 ' O ' ' CG ' ' A' ' 305' ' ' LYS . 32.3 tt0 . . . . . 0 N--CA 1.494 1.775 0 N-CA-C 107.055 -1.461 . . . . 0.0 107.055 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 302' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -70.77 -65.32 0.75 Allowed 'General case' 0 C--N 1.299 -1.616 0 CA-C-N 114.233 -1.349 . . . . 0.0 109.818 179.402 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 303' ' ' CYS . . . . . 0.426 ' O ' ' N ' ' A' ' 306' ' ' MET . 5.2 t -66.65 -51.34 57.28 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.241 -0.912 . . . . 0.0 109.483 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 19.5 m -48.83 -25.02 1.65 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.388 -0.82 . . . . 0.0 110.163 -179.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 305' ' ' LYS . . . . . 0.443 ' CG ' ' O ' ' A' ' 301' ' ' GLU . 4.7 mmmm -101.14 -13.61 18.09 Favored 'General case' 0 N--CA 1.5 2.074 0 N-CA-C 108.18 -1.044 . . . . 0.0 108.18 177.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 306' ' ' MET . . . . . 0.426 ' N ' ' O ' ' A' ' 303' ' ' CYS . 9.3 ttt -74.25 -25.44 59.63 Favored 'General case' 0 C--N 1.301 -1.509 0 N-CA-C 107.702 -1.221 . . . . 0.0 107.702 177.374 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 307' ' ' ASN . . . . . 0.427 ' O ' ' C ' ' A' ' 308' ' ' GLN . 1.4 t30 -86.72 -40.0 15.47 Favored 'General case' 0 N--CA 1.493 1.696 0 N-CA-C 106.349 -1.723 . . . . 0.0 106.349 178.395 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 308' ' ' GLN . . . . . 0.529 ' O ' ' N ' ' A' ' 310' ' ' CYS . 32.8 tt0 -36.13 -42.73 0.31 Allowed 'General case' 0 N--CA 1.501 2.102 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.057 178.852 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 309' ' ' VAL . . . . . . . . . . . . . 11.8 t -45.29 -16.74 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.499 2.011 0 CA-C-O 121.908 0.861 . . . . 0.0 109.513 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 310' ' ' CYS . . . . . 0.529 ' N ' ' O ' ' A' ' 308' ' ' GLN . 0.5 OUTLIER -88.71 14.89 9.13 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.697 -0.627 . . . . 0.0 109.498 179.476 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 311' ' ' GLY . . . . . 0.518 ' N ' ' O ' ' A' ' 308' ' ' GLN . . . . . . . . 0 N--CA 1.49 2.28 0 N-CA-C 109.359 -1.497 . . . . 0.0 109.359 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 593' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.998 0 N-CA-C 109.023 -1.631 . . . . 0.0 109.023 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 594' ' ' SER . . . . . . . . . . . . . 65.8 m -124.8 166.25 16.56 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.686 -0.89 . . . . 0.0 110.057 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 595' ' ' LEU . . . . . 0.529 ' CD2' ' N ' ' B' ' 595' ' ' LEU . 3.8 mm? -94.07 124.91 38.38 Favored 'General case' 0 C--N 1.3 -1.57 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 179.364 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 596' ' ' LEU . . . . . . . . . . . . . 1.3 mp -128.54 153.7 46.92 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.34 -0.85 . . . . 0.0 109.573 -179.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 597' ' ' ARG . . . . . . . . . . . . . 40.3 mtp180 -102.59 -146.9 0.37 Allowed 'General case' 0 N--CA 1.501 2.113 0 CA-C-O 121.802 0.811 . . . . 0.0 111.521 -178.014 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 598' ' ' CYS . . . . . 0.615 ' SG ' ' N ' ' B' ' 599' ' ' SER . 14.8 t -69.64 -104.44 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.858 -0.526 . . . . 0.0 111.6 -177.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 599' ' ' SER . . . . . 0.615 ' N ' ' SG ' ' B' ' 598' ' ' CYS . 41.7 m -45.0 -18.0 0.02 OUTLIER 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.129 -0.982 . . . . 0.0 109.487 -178.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 600' ' ' GLU . . . . . 0.524 ' N ' ' O ' ' B' ' 598' ' ' CYS . 8.6 tp10 -46.41 -40.46 12.19 Favored 'General case' 0 C--N 1.3 -1.578 0 CA-C-O 122.341 1.067 . . . . 0.0 109.015 179.389 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 601' ' ' ILE . . . . . 0.576 ' O ' ' N ' ' B' ' 604' ' ' ARG . 1.2 mp -68.13 -35.11 70.25 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.163 0 N-CA-C 107.517 -1.29 . . . . 0.0 107.517 -178.601 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 602' ' ' TRP . . . . . 0.445 ' N ' ' O ' ' B' ' 599' ' ' SER . 46.8 t-105 -43.18 -38.05 2.34 Favored 'General case' 0 N--CA 1.494 1.729 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 179.75 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 603' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -68.88 -42.77 76.54 Favored 'General case' 0 C--N 1.304 -1.374 0 N-CA-C 107.921 -1.141 . . . . 0.0 107.921 177.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 604' ' ' ARG . . . . . 0.576 ' N ' ' O ' ' B' ' 601' ' ' ILE . 15.6 mmt180 -56.38 -42.71 78.33 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.371 -0.831 . . . . 0.0 109.293 178.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 605' ' ' ILE . . . . . . . . . . . . . 17.3 mm -57.86 -48.97 82.57 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.998 0 O-C-N 121.504 -0.747 . . . . 0.0 110.312 179.283 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 606' ' ' THR . . . . . . . . . . . . . 67.1 p . . . . . 0 N--CA 1.491 1.584 0 O-C-N 120.911 -1.118 . . . . 0.0 110.087 -178.995 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 614' ' ' ILE . . . . . 0.444 ' CG2' ' N ' ' B' ' 615' ' ' ASP . 82.2 mt . . . . . 0 N--CA 1.494 1.762 0 CA-C-O 121.585 0.707 . . . . 0.0 110.831 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 615' ' ' ASP . . . . . 0.444 ' N ' ' CG2' ' B' ' 614' ' ' ILE . 1.2 m-20 -121.93 116.9 25.19 Favored 'General case' 0 N--CA 1.493 1.679 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 179.437 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 616' ' ' VAL . . . . . . . . . . . . . 41.6 t -80.05 -16.43 12.89 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.55 0 O-C-N 121.323 -0.861 . . . . 0.0 109.24 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 617' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -75.87 -43.65 44.52 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.247 -0.908 . . . . 0.0 110.449 -178.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 618' ' ' GLY . . . . . . . . . . . . . . . -67.19 -42.51 91.09 Favored Glycine 0 N--CA 1.491 2.349 0 N-CA-C 109.571 -1.411 . . . . 0.0 109.571 -179.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 619' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.4 -26.02 68.55 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.229 -1.159 . . . . 0.0 108.107 179.578 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 620' ' ' CYS . . . . . 0.486 ' O ' ' CG ' ' B' ' 624' ' ' MET . 14.3 t -67.78 -54.45 19.1 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.313 -0.867 . . . . 0.0 110.533 -179.704 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 37.5 t -76.61 -0.51 23.6 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 120.666 -1.271 . . . . 0.0 109.354 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 622' ' ' GLU . . . . . . . . . . . . . 53.8 tt0 -100.18 -43.77 6.19 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.235 -0.916 . . . . 0.0 109.069 177.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 623' ' ' LEU . . . . . . . . . . . . . 3.9 mp -86.15 -30.14 22.71 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 120.739 -1.225 . . . . 0.0 109.953 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 624' ' ' MET . . . . . 0.486 ' CG ' ' O ' ' B' ' 620' ' ' CYS . 30.8 mmm -59.09 -31.94 69.35 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 121.033 -1.042 . . . . 0.0 111.967 -178.279 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 625' ' ' ALA . . . . . . . . . . . . . . . -103.62 -3.8 24.68 Favored 'General case' 0 N--CA 1.507 2.406 0 O-C-N 120.645 -1.284 . . . . 0.0 110.28 -179.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 626' ' ' LYS . . . . . . . . . . . . . 34.3 mmtm -88.19 -12.23 44.48 Favored 'General case' 0 N--CA 1.492 1.65 0 N-CA-C 106.756 -1.572 . . . . 0.0 106.756 176.51 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 627' ' ' ALA . . . . . . . . . . . . . . . -45.32 138.24 4.22 Favored 'General case' 0 N--CA 1.492 1.669 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.843 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 628' ' ' LYS . . . . . . . . . . . . . 51.0 mttp -117.52 93.42 4.16 Favored 'General case' 0 N--CA 1.499 1.977 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 178.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 629' ' ' CYS . . . . . . . . . . . . . 14.4 m -54.78 119.48 5.41 Favored 'General case' 0 N--CA 1.494 1.739 0 CA-C-O 122.401 1.096 . . . . 0.0 111.532 -178.152 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 630' ' ' SER . . . . . 0.407 ' HG ' ' N ' ' B' ' 631' ' ' GLU . 44.6 t -142.58 160.15 40.86 Favored 'General case' 0 N--CA 1.494 1.751 0 N-CA-C 107.461 -1.311 . . . . 0.0 107.461 178.363 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 631' ' ' GLU . . . . . 0.554 ' C ' ' H ' ' B' ' 633' ' ' GLY . 8.6 pt-20 -64.3 -23.29 67.25 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.27 -1.519 . . . . 0.0 108.797 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 17.8 mmt180 -79.44 34.5 0.26 Allowed 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 107.391 -1.337 . . . . 0.0 107.391 177.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 633' ' ' GLY . . . . . 0.554 ' H ' ' C ' ' B' ' 631' ' ' GLU . . . 70.48 -169.7 46.86 Favored Glycine 0 N--CA 1.491 2.361 0 N-CA-C 107.633 -2.187 . . . . 0.0 107.633 -178.327 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 634' ' ' VAL . . . . . . . . . . . . . 9.2 p -78.48 141.98 14.72 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.408 0 O-C-N 120.399 -1.648 . . . . 0.0 109.293 179.495 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 31.3 m -133.36 138.3 51.47 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.155 0 O-C-N 121.242 -0.911 . . . . 0.0 108.934 178.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 636' ' ' ILE . . . . . . . . . . . . . 62.7 mt -129.91 153.8 39.4 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.924 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 -179.198 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 637' ' ' ASN . . . . . 0.668 HD21 ' N ' ' B' ' 637' ' ' ASN . 0.7 OUTLIER -90.71 138.0 31.92 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.154 -0.966 . . . . 0.0 110.008 -179.678 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -53.57 -11.04 0.31 Allowed 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.69 -0.631 . . . . 0.0 111.092 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 639' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -78.16 -19.37 54.11 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.809 -1.182 . . . . 0.0 110.612 -179.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 640' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -86.48 -59.58 2.24 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 120.231 -1.543 . . . . 0.0 108.421 177.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 641' ' ' VAL . . . . . . . . . . . . . 1.9 p -51.01 -35.0 14.44 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 121.021 -1.049 . . . . 0.0 109.262 178.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 642' ' ' GLN . . . . . . . . . . . . . 40.0 tp60 -70.08 -35.01 73.89 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.216 -0.928 . . . . 0.0 109.011 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 643' ' ' LEU . . . . . . . . . . . . . 97.2 mt -83.72 -18.49 37.72 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.042 -1.036 . . . . 0.0 108.553 178.158 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 644' ' ' ALA . . . . . 0.422 ' O ' ' CD2' ' B' ' 648' ' ' HIS . . . -88.38 -34.47 17.57 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.989 -1.069 . . . . 0.0 109.202 178.511 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 645' ' ' LEU . . . . . . . . . . . . . 69.5 mt -87.3 -25.72 23.78 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.058 -1.026 . . . . 0.0 110.009 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 646' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -88.03 -12.96 42.82 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 120.912 -1.118 . . . . 0.0 109.754 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 647' ' ' LYS . . . . . . . . . . . . . 49.7 mtpt -96.16 -4.5 42.52 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.044 -1.035 . . . . 0.0 108.834 179.114 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 648' ' ' HIS . . . . . 0.422 ' CD2' ' O ' ' B' ' 644' ' ' ALA . 4.3 m-70 -113.25 12.29 18.9 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.631 -0.668 . . . . 0.0 109.416 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 649' ' ' MET . . . . . . . . . . . . . 50.6 tpp -95.48 128.87 42.69 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.285 -0.885 . . . . 0.0 109.497 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 650' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 . . . . . 0 N--CA 1.489 1.512 0 CA-C-O 118.032 -0.985 . . . . 0.0 109.411 180.0 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 301' ' ' GLU . . . . . . . . . . . . . 23.4 tp10 . . . . . 0 N--CA 1.493 1.709 0 N-CA-C 106.912 -1.514 . . . . 0.0 106.912 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 302' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -72.46 -57.33 4.26 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-N 114.677 -1.147 . . . . 0.0 109.711 178.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 303' ' ' CYS . . . . . 0.429 ' O ' ' OD1' ' A' ' 307' ' ' ASN . 23.5 m -74.84 -26.6 59.82 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.922 -1.111 . . . . 0.0 109.584 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 4.7 m -60.51 -37.34 80.8 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.361 -0.837 . . . . 0.0 111.233 -178.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . 34.4 mtmt -95.13 -19.01 20.46 Favored 'General case' 0 N--CA 1.506 2.347 0 O-C-N 120.841 -1.162 . . . . 0.0 108.617 178.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 306' ' ' MET . . . . . . . . . . . . . 10.2 ttm -71.7 -22.76 61.6 Favored 'General case' 0 C--N 1.296 -1.743 0 N-CA-C 107.008 -1.478 . . . . 0.0 107.008 177.126 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 307' ' ' ASN . . . . . 0.457 ' O ' ' N ' ' A' ' 310' ' ' CYS . 5.9 m-20 -79.71 -39.58 30.86 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 106.03 -1.841 . . . . 0.0 106.03 178.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 308' ' ' GLN . . . . . 0.547 ' C ' ' H ' ' A' ' 310' ' ' CYS . 19.2 tt0 -37.4 -39.39 0.29 Allowed 'General case' 0 N--CA 1.506 2.337 0 CA-C-O 121.647 0.736 . . . . 0.0 109.022 178.071 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 309' ' ' VAL . . . . . . . . . . . . . 21.9 t -46.47 -13.4 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.5 2.027 0 C-N-CA 120.184 -0.607 . . . . 0.0 109.366 179.039 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 310' ' ' CYS . . . . . 0.547 ' H ' ' C ' ' A' ' 308' ' ' GLN . 5.4 t -84.71 -62.16 1.61 Allowed 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.524 -0.735 . . . . 0.0 109.618 179.215 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 311' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 2.8 0 N-CA-C 109.607 -1.397 . . . . 0.0 109.607 -179.737 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 593' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.321 0 N-CA-C 109.426 -1.47 . . . . 0.0 109.426 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 594' ' ' SER . . . . . . . . . . . . . 61.6 m -77.83 166.85 22.4 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.152 -1.205 . . . . 0.0 110.227 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 595' ' ' LEU . . . . . 0.57 ' CD2' ' N ' ' B' ' 595' ' ' LEU . 3.1 mm? -93.22 119.7 32.69 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 596' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -127.75 158.33 37.95 Favored 'General case' 0 N--CA 1.508 2.438 0 O-C-N 121.297 -0.877 . . . . 0.0 109.626 -179.833 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 597' ' ' ARG . . . . . 0.491 HH11 ' CG ' ' B' ' 597' ' ' ARG . 0.1 OUTLIER -100.91 -144.83 0.34 Allowed 'General case' 0 N--CA 1.5 2.058 0 O-C-N 121.39 -0.819 . . . . 0.0 110.448 -179.046 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 598' ' ' CYS . . . . . 0.497 ' O ' ' N ' ' B' ' 600' ' ' GLU . 4.6 p -81.98 -95.77 0.05 OUTLIER 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.359 -0.838 . . . . 0.0 110.948 -178.433 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 599' ' ' SER . . . . . 0.476 ' O ' ' N ' ' B' ' 602' ' ' TRP . 29.0 t -44.4 -21.19 0.04 OUTLIER 'General case' 0 N--CA 1.498 1.967 0 CA-C-O 122.208 1.004 . . . . 0.0 108.981 -179.387 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 600' ' ' GLU . . . . . 0.497 ' N ' ' O ' ' B' ' 598' ' ' CYS . 7.7 tp10 -47.32 -36.0 8.77 Favored 'General case' 0 C--N 1.304 -1.401 0 CA-C-O 122.799 1.285 . . . . 0.0 108.037 178.551 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 601' ' ' ILE . . . . . 0.56 ' O ' ' N ' ' B' ' 604' ' ' ARG . 1.3 mp -72.33 -33.01 44.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.055 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 -178.497 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 602' ' ' TRP . . . . . 0.527 ' CD1' ' OG1' ' B' ' 606' ' ' THR . 52.0 t-105 -45.61 -36.68 4.92 Favored 'General case' 0 N--CA 1.492 1.658 0 N-CA-C 107.323 -1.362 . . . . 0.0 107.323 179.597 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 603' ' ' ASP . . . . . . . . . . . . . 29.4 t0 -70.78 -41.56 71.54 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 107.724 -1.213 . . . . 0.0 107.724 177.464 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 604' ' ' ARG . . . . . 0.56 ' N ' ' O ' ' B' ' 601' ' ' ILE . 18.3 mmt-85 -59.25 -38.42 80.01 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.283 -0.886 . . . . 0.0 109.379 179.076 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 605' ' ' ILE . . . . . . . . . . . . . 73.2 mt -87.19 -50.67 13.69 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.971 0 O-C-N 121.674 -0.641 . . . . 0.0 111.223 -179.409 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 606' ' ' THR . . . . . 0.527 ' OG1' ' CD1' ' B' ' 602' ' ' TRP . 90.2 m . . . . . 0 N--CA 1.495 1.778 0 O-C-N 121.08 -1.013 . . . . 0.0 110.651 -178.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 614' ' ' ILE . . . . . 0.408 ' CG2' ' N ' ' B' ' 615' ' ' ASP . 73.9 mt . . . . . 0 N--CA 1.493 1.686 0 CA-C-O 121.588 0.709 . . . . 0.0 110.628 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 615' ' ' ASP . . . . . 0.408 ' N ' ' CG2' ' B' ' 614' ' ' ILE . 0.8 OUTLIER -123.87 124.95 43.77 Favored 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 179.542 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 616' ' ' VAL . . . . . . . . . . . . . 82.9 t -78.85 -17.64 13.33 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.355 -0.841 . . . . 0.0 109.394 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 617' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -77.08 -38.29 52.71 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.223 -0.923 . . . . 0.0 110.627 -179.379 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 618' ' ' GLY . . . . . 0.419 ' O ' ' OE1' ' B' ' 622' ' ' GLU . . . -66.38 -42.81 93.7 Favored Glycine 0 N--CA 1.492 2.376 0 N-CA-C 109.699 -1.36 . . . . 0.0 109.699 -179.549 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 619' ' ' LEU . . . . . 0.493 ' CD2' ' N ' ' B' ' 619' ' ' LEU . 0.1 OUTLIER -63.75 -25.62 68.27 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 107.447 -1.316 . . . . 0.0 107.447 179.46 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 620' ' ' CYS . . . . . 0.423 ' O ' ' CB ' ' B' ' 624' ' ' MET . 10.2 t -68.85 -58.64 3.89 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.387 -0.821 . . . . 0.0 110.989 -179.585 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 16.5 m -76.59 -2.08 30.75 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 120.384 -1.448 . . . . 0.0 110.338 -179.253 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 622' ' ' GLU . . . . . 0.516 ' OE2' ' NE2' ' B' ' 648' ' ' HIS . 47.7 mt-10 -99.28 -47.71 5.08 Favored 'General case' 0 C--N 1.297 -1.714 0 O-C-N 121.218 -0.926 . . . . 0.0 109.306 178.016 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 623' ' ' LEU . . . . . . . . . . . . . 7.0 mp -87.66 -20.78 25.83 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 120.671 -1.268 . . . . 0.0 110.378 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 624' ' ' MET . . . . . 0.423 ' CB ' ' O ' ' B' ' 620' ' ' CYS . 26.6 ttt -71.27 -31.66 67.76 Favored 'General case' 0 N--CA 1.502 2.16 0 O-C-N 120.664 -1.272 . . . . 0.0 112.498 -177.551 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 625' ' ' ALA . . . . . . . . . . . . . . . -102.69 -4.51 24.98 Favored 'General case' 0 N--CA 1.506 2.343 0 O-C-N 120.672 -1.267 . . . . 0.0 109.427 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 626' ' ' LYS . . . . . . . . . . . . . 46.9 mttp -95.1 -12.07 27.14 Favored 'General case' 0 N--CA 1.493 1.694 0 N-CA-C 106.722 -1.584 . . . . 0.0 106.722 176.546 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 627' ' ' ALA . . . . . . . . . . . . . . . -49.37 149.98 1.99 Allowed 'General case' 0 N--CA 1.493 1.702 0 CA-C-O 121.381 0.61 . . . . 0.0 110.683 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 628' ' ' LYS . . . . . . . . . . . . . 7.9 tppt? -124.35 93.28 3.86 Favored 'General case' 0 N--CA 1.499 2.008 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 179.304 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 629' ' ' CYS . . . . . . . . . . . . . 23.5 t -51.02 120.63 5.07 Favored 'General case' 0 N--CA 1.494 1.734 0 CA-C-O 122.355 1.074 . . . . 0.0 111.335 -178.375 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 630' ' ' SER . . . . . . . . . . . . . 23.0 p -143.13 159.29 42.56 Favored 'General case' 0 N--CA 1.493 1.679 0 N-CA-C 107.669 -1.234 . . . . 0.0 107.669 178.466 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 631' ' ' GLU . . . . . 0.514 ' C ' ' H ' ' B' ' 633' ' ' GLY . 43.2 tt0 -61.26 -23.57 65.76 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.401 -1.437 . . . . 0.0 108.688 179.803 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 56.6 mtp180 -82.81 27.13 0.55 Allowed 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 107.323 -1.362 . . . . 0.0 107.323 177.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 633' ' ' GLY . . . . . 0.514 ' H ' ' C ' ' B' ' 631' ' ' GLU . . . 77.76 -169.62 54.73 Favored Glycine 0 N--CA 1.492 2.367 0 N-CA-C 108.307 -1.917 . . . . 0.0 108.307 -178.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 634' ' ' VAL . . . . . . . . . . . . . 32.8 m -77.94 144.05 11.9 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 O-C-N 120.689 -1.477 . . . . 0.0 109.515 179.506 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 3.7 p -135.09 143.05 38.3 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.19 0 O-C-N 121.016 -1.052 . . . . 0.0 109.644 179.072 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 636' ' ' ILE . . . . . . . . . . . . . 95.4 mt -133.31 152.83 36.2 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 -179.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 637' ' ' ASN . . . . . 0.434 ' C ' ' H ' ' B' ' 639' ' ' GLU . 23.5 t-20 -86.52 132.36 33.94 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.224 -0.923 . . . . 0.0 109.419 179.651 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -50.18 -10.96 0.06 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.735 -0.603 . . . . 0.0 110.587 -179.543 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 639' ' ' GLU . . . . . 0.434 ' H ' ' C ' ' B' ' 637' ' ' ASN . 41.1 tt0 -81.22 -21.88 39.2 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 120.78 -1.2 . . . . 0.0 110.874 -179.268 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 640' ' ' ASP . . . . . . . . . . . . . 51.9 m-20 -84.37 -56.82 3.43 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.187 -1.57 . . . . 0.0 108.088 178.081 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 641' ' ' VAL . . . . . 0.51 ' O ' ' N ' ' B' ' 644' ' ' ALA . 7.6 p -51.54 -56.17 6.33 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 120.96 -1.088 . . . . 0.0 108.494 177.779 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 642' ' ' GLN . . . . . 0.473 ' H ' ' CG1' ' B' ' 641' ' ' VAL . 24.0 mm100 -48.45 -35.73 13.51 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.933 -1.104 . . . . 0.0 109.442 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 643' ' ' LEU . . . . . . . . . . . . . 35.5 tp -77.64 -21.59 51.98 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.147 -0.971 . . . . 0.0 108.549 178.273 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 644' ' ' ALA . . . . . 0.51 ' N ' ' O ' ' B' ' 641' ' ' VAL . . . -88.34 -46.88 8.82 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.939 -1.101 . . . . 0.0 109.36 178.44 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 645' ' ' LEU . . . . . . . . . . . . . 97.5 mt -66.82 -27.59 67.69 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.958 -1.089 . . . . 0.0 110.032 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 646' ' ' ASN . . . . . 0.406 ' ND2' ' O ' ' B' ' 646' ' ' ASN . 3.3 t30 -88.67 -8.04 55.3 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 120.887 -1.133 . . . . 0.0 109.32 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 647' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -97.6 -8.68 28.42 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.199 -0.938 . . . . 0.0 109.314 179.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 648' ' ' HIS . . . . . 0.516 ' NE2' ' OE2' ' B' ' 622' ' ' GLU . 9.9 m-70 -114.04 12.54 17.97 Favored 'General case' 0 N--CA 1.5 2.06 0 O-C-N 121.456 -0.778 . . . . 0.0 109.831 -179.731 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 649' ' ' MET . . . . . . . . . . . . . 6.8 mmt -96.25 144.13 26.71 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.126 -0.984 . . . . 0.0 109.329 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 650' ' ' ASN . . . . . . . . . . . . . 25.9 p-10 . . . . . 0 N--CA 1.49 1.554 0 CA-C-O 118.019 -0.991 . . . . 0.0 109.406 -179.983 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 301' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 . . . . . 0 N--CA 1.496 1.845 0 N-CA-C 106.3 -1.741 . . . . 0.0 106.3 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 302' ' ' PHE . . . . . 0.51 ' CE2' ' SD ' ' A' ' 306' ' ' MET . 19.9 t80 -69.58 -65.37 0.72 Allowed 'General case' 0 C--N 1.299 -1.619 0 CA-C-N 113.387 -1.733 . . . . 0.0 110.024 178.834 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 303' ' ' CYS . . . . . . . . . . . . . 8.5 t -66.71 -51.18 58.93 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.086 -1.009 . . . . 0.0 110.26 -179.515 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 36.0 t -51.52 -25.71 7.12 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.353 -0.842 . . . . 0.0 111.808 -178.519 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -100.23 -14.04 18.64 Favored 'General case' 0 N--CA 1.508 2.452 0 O-C-N 120.806 -1.184 . . . . 0.0 109.12 178.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 306' ' ' MET . . . . . 0.51 ' SD ' ' CE2' ' A' ' 302' ' ' PHE . 12.0 mtp -74.86 -25.24 58.84 Favored 'General case' 0 C--N 1.297 -1.688 0 N-CA-C 106.779 -1.563 . . . . 0.0 106.779 177.197 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 307' ' ' ASN . . . . . 0.461 ' O ' ' C ' ' A' ' 308' ' ' GLN . 0.7 OUTLIER -81.51 -42.85 19.63 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 106.246 -1.761 . . . . 0.0 106.246 179.083 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 308' ' ' GLN . . . . . 0.519 ' O ' ' N ' ' A' ' 310' ' ' CYS . 19.0 mt-30 -35.56 -40.51 0.17 Allowed 'General case' 0 N--CA 1.508 2.452 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 178.563 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 309' ' ' VAL . . . . . . . . . . . . . 16.6 t -45.05 -17.64 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.885 0 CA-C-O 121.727 0.775 . . . . 0.0 109.412 178.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 310' ' ' CYS . . . . . 0.519 ' N ' ' O ' ' A' ' 308' ' ' GLN . 13.7 m -83.42 -52.13 6.78 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 179.778 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 311' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.247 0 N-CA-C 109.535 -1.426 . . . . 0.0 109.535 179.914 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 593' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.337 0 N-CA-C 109.638 -1.385 . . . . 0.0 109.638 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 594' ' ' SER . . . . . . . . . . . . . 62.3 m -71.32 164.51 25.58 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.171 -1.193 . . . . 0.0 109.915 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 595' ' ' LEU . . . . . 0.535 ' CD1' ' N ' ' B' ' 595' ' ' LEU . 7.3 mp -88.4 114.29 24.86 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 121.633 -0.667 . . . . 0.0 109.343 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 596' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -126.05 153.71 44.04 Favored 'General case' 0 N--CA 1.502 2.126 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 179.466 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 597' ' ' ARG . . . . . 0.402 ' H ' ' HG3' ' B' ' 600' ' ' GLU . 62.6 mtm180 -101.53 -134.57 0.3 Allowed 'General case' 0 N--CA 1.501 2.118 0 O-C-N 121.277 -0.889 . . . . 0.0 111.611 -177.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 598' ' ' CYS . . . . . 0.522 ' O ' ' N ' ' B' ' 600' ' ' GLU . 6.1 p -84.79 -102.8 0.05 Allowed 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.553 -0.717 . . . . 0.0 111.464 -177.863 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 599' ' ' SER . . . . . 0.479 ' O ' ' N ' ' B' ' 602' ' ' TRP . 29.5 t -43.53 -19.58 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.911 0 CA-C-O 121.939 0.876 . . . . 0.0 109.681 -178.87 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 600' ' ' GLU . . . . . 0.522 ' N ' ' O ' ' B' ' 598' ' ' CYS . 55.3 mm-40 -47.25 -37.21 10.12 Favored 'General case' 0 C--N 1.303 -1.446 0 CA-C-O 122.269 1.033 . . . . 0.0 108.563 179.041 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 601' ' ' ILE . . . . . 0.549 ' O ' ' N ' ' B' ' 604' ' ' ARG . 1.3 mp -71.04 -32.62 48.81 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.07 0 N-CA-C 107.783 -1.191 . . . . 0.0 107.783 -178.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 602' ' ' TRP . . . . . 0.479 ' N ' ' O ' ' B' ' 599' ' ' SER . 61.1 t-105 -44.8 -38.44 4.51 Favored 'General case' 0 N--CA 1.493 1.712 0 N-CA-C 107.465 -1.309 . . . . 0.0 107.465 179.493 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 603' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -69.75 -43.14 72.87 Favored 'General case' 0 C--N 1.302 -1.498 0 N-CA-C 107.8 -1.185 . . . . 0.0 107.8 177.522 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 604' ' ' ARG . . . . . 0.549 ' N ' ' O ' ' B' ' 601' ' ' ILE . 20.6 mmm-85 -56.75 -26.89 58.35 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.346 -0.846 . . . . 0.0 109.244 179.111 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 605' ' ' ILE . . . . . . . . . . . . . 81.0 mt -86.02 -45.75 16.89 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.829 0 O-C-N 121.457 -0.777 . . . . 0.0 110.39 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 606' ' ' THR . . . . . . . . . . . . . 21.8 p . . . . . 0 N--CA 1.49 1.548 0 O-C-N 120.972 -1.08 . . . . 0.0 110.17 -179.133 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 614' ' ' ILE . . . . . . . . . . . . . 8.5 mt . . . . . 0 N--CA 1.494 1.74 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 615' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -158.97 95.24 1.27 Allowed 'General case' 0 C--N 1.303 -1.431 0 N-CA-C 107.697 -1.223 . . . . 0.0 107.697 179.663 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 616' ' ' VAL . . . . . . . . . . . . . 26.9 t -82.4 -19.29 10.55 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 121.679 -0.638 . . . . 0.0 110.174 -179.36 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 617' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 -64.88 -45.96 83.79 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.216 -0.928 . . . . 0.0 110.802 -178.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 618' ' ' GLY . . . . . . . . . . . . . . . -66.31 -36.15 91.29 Favored Glycine 0 N--CA 1.494 2.524 0 C-N-CA 119.875 -1.155 . . . . 0.0 110.506 -179.036 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 619' ' ' LEU . . . . . . . . . . . . . 2.7 mt -65.91 -21.32 66.44 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.929 -1.336 . . . . 0.0 108.144 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 620' ' ' CYS . . . . . . . . . . . . . 13.9 t -69.15 -52.44 28.11 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.583 -0.698 . . . . 0.0 110.14 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 97.7 p -83.91 -1.49 54.63 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 120.706 -1.246 . . . . 0.0 110.166 -179.587 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 622' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -100.24 -47.21 5.03 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.04 -1.037 . . . . 0.0 109.629 178.639 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 623' ' ' LEU . . . . . . . . . . . . . 10.0 mp -85.42 -18.81 32.56 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 120.819 -1.176 . . . . 0.0 110.067 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 624' ' ' MET . . . . . . . . . . . . . 24.6 ttt -72.87 -26.63 61.52 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.736 -1.227 . . . . 0.0 111.23 -178.675 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 625' ' ' ALA . . . . . . . . . . . . . . . -105.52 -26.77 11.76 Favored 'General case' 0 N--CA 1.504 2.231 0 O-C-N 120.887 -1.133 . . . . 0.0 109.471 179.706 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 626' ' ' LYS . . . . . . . . . . . . . 35.6 mmtm -65.15 -12.79 54.78 Favored 'General case' 0 C--N 1.3 -1.57 0 N-CA-C 106.243 -1.762 . . . . 0.0 106.243 177.017 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 627' ' ' ALA . . . . . . . . . . . . . . . -46.4 140.8 3.94 Favored 'General case' 0 N--CA 1.492 1.669 0 CA-C-N 114.979 -1.01 . . . . 0.0 111.421 -179.688 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 628' ' ' LYS . . . . . 0.527 ' NZ ' ' OD1' ' B' ' 637' ' ' ASN . 79.0 mttt -119.0 96.36 5.21 Favored 'General case' 0 N--CA 1.498 1.927 0 N-CA-C 108.15 -1.056 . . . . 0.0 108.15 178.461 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 629' ' ' CYS . . . . . . . . . . . . . 38.9 t -54.98 116.32 2.69 Favored 'General case' 0 N--CA 1.493 1.716 0 CA-C-O 122.333 1.063 . . . . 0.0 111.9 -178.19 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 630' ' ' SER . . . . . 0.4 ' HG ' ' N ' ' B' ' 631' ' ' GLU . 47.1 t -142.89 158.92 43.15 Favored 'General case' 0 N--CA 1.496 1.866 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 178.281 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 631' ' ' GLU . . . . . 0.581 ' C ' ' H ' ' B' ' 633' ' ' GLY . 9.9 mm-40 -64.21 -22.98 67.15 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.26 -1.525 . . . . 0.0 109.249 -179.763 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 632' ' ' ARG . . . . . 0.569 ' CG ' HH11 ' B' ' 632' ' ' ARG . 0.2 OUTLIER -78.06 33.61 0.19 Allowed 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 107.498 -1.297 . . . . 0.0 107.498 177.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 633' ' ' GLY . . . . . 0.581 ' H ' ' C ' ' B' ' 631' ' ' GLU . . . 71.37 -170.13 48.57 Favored Glycine 0 N--CA 1.489 2.169 0 N-CA-C 107.176 -2.37 . . . . 0.0 107.176 -178.329 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 634' ' ' VAL . . . . . . . . . . . . . 7.7 p -77.85 141.95 14.83 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.43 0 O-C-N 120.235 -1.744 . . . . 0.0 109.649 179.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 34.6 m -136.07 138.52 47.21 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.029 0 O-C-N 121.104 -0.997 . . . . 0.0 108.93 178.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 636' ' ' ILE . . . . . . . . . . . . . 92.6 mt -133.38 154.73 39.57 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.856 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 -179.475 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 637' ' ' ASN . . . . . 0.527 ' OD1' ' NZ ' ' B' ' 628' ' ' LYS . 16.9 m120 -87.56 133.88 33.72 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.162 -0.962 . . . . 0.0 110.119 -179.578 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -47.68 -9.55 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.713 -0.617 . . . . 0.0 110.585 179.472 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 639' ' ' GLU . . . . . 0.523 ' N ' ' O ' ' B' ' 637' ' ' ASN . 40.1 tt0 -76.62 -19.86 57.36 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.026 -1.046 . . . . 0.0 110.077 179.363 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 640' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -87.04 -49.14 7.53 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 120.249 -1.532 . . . . 0.0 109.417 178.218 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 641' ' ' VAL . . . . . 0.419 HG12 ' H ' ' B' ' 642' ' ' GLN . 0.7 OUTLIER -62.88 -49.47 83.5 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 120.699 -1.25 . . . . 0.0 109.195 179.291 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 642' ' ' GLN . . . . . 0.419 ' H ' HG12 ' B' ' 641' ' ' VAL . 0.0 OUTLIER -56.67 -36.35 69.48 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.795 -1.191 . . . . 0.0 109.877 -179.316 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 643' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -79.16 -17.91 54.09 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.886 -1.134 . . . . 0.0 108.505 178.464 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 644' ' ' ALA . . . . . . . . . . . . . . . -87.98 -54.35 4.27 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.791 -1.193 . . . . 0.0 109.298 178.366 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 645' ' ' LEU . . . . . . . . . . . . . 77.4 mt -61.89 -24.69 67.1 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.162 -0.961 . . . . 0.0 110.475 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 646' ' ' ASN . . . . . 0.413 ' OD1' ' N ' ' B' ' 647' ' ' LYS . 43.8 p-10 -92.56 -10.43 37.64 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 120.778 -1.201 . . . . 0.0 109.944 -179.807 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 647' ' ' LYS . . . . . 0.453 ' CB ' ' HZ3' ' B' ' 647' ' ' LYS . 7.6 ttpm? -103.55 -11.74 17.56 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.36 -0.838 . . . . 0.0 109.497 -179.715 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 648' ' ' HIS . . . . . . . . . . . . . 81.8 m-70 -111.56 6.09 19.84 Favored 'General case' 0 N--CA 1.496 1.857 0 N-CA-C 108.949 -0.759 . . . . 0.0 108.949 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 649' ' ' MET . . . . . . . . . . . . . 34.4 ttm -96.53 129.5 43.89 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.421 -0.799 . . . . 0.0 109.522 -179.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 650' ' ' ASN . . . . . 0.421 HD21 ' C ' ' B' ' 650' ' ' ASN . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.549 0 CA-C-O 117.942 -1.027 . . . . 0.0 109.474 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 301' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 . . . . . 0 N--CA 1.494 1.75 0 N-CA-C 107.051 -1.463 . . . . 0.0 107.051 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 302' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -73.89 -66.26 0.73 Allowed 'General case' 0 C--N 1.302 -1.488 0 CA-C-N 114.588 -1.187 . . . . 0.0 109.812 178.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 303' ' ' CYS . . . . . . . . . . . . . 4.4 t -67.07 -49.71 64.18 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.182 -0.949 . . . . 0.0 108.874 179.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 35.5 t -50.09 -24.57 2.78 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.394 -0.816 . . . . 0.0 110.104 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . 16.6 ttpp -101.22 -14.21 17.79 Favored 'General case' 0 N--CA 1.502 2.13 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 178.063 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 306' ' ' MET . . . . . . . . . . . . . 3.9 tpp -72.88 -25.07 60.95 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 107.262 -1.384 . . . . 0.0 107.262 177.238 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 307' ' ' ASN . . . . . 0.466 ' O ' ' N ' ' A' ' 310' ' ' CYS . 1.2 t30 -87.34 -40.79 14.14 Favored 'General case' 0 N--CA 1.494 1.756 0 N-CA-C 106.436 -1.69 . . . . 0.0 106.436 178.539 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 308' ' ' GLN . . . . . 0.522 ' O ' ' N ' ' A' ' 310' ' ' CYS . 32.9 tt0 -34.92 -40.35 0.11 Allowed 'General case' 0 N--CA 1.504 2.229 0 CA-C-O 121.337 0.589 . . . . 0.0 109.656 178.539 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 309' ' ' VAL . . . . . . . . . . . . . 53.0 t -46.48 -14.92 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.857 0 CA-C-O 121.667 0.746 . . . . 0.0 109.444 179.217 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 310' ' ' CYS . . . . . 0.522 ' N ' ' O ' ' A' ' 308' ' ' GLN . 3.3 m -86.03 22.93 1.6 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.469 -0.769 . . . . 0.0 109.18 179.234 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 311' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.543 0 N-CA-C 109.404 -1.478 . . . . 0.0 109.404 179.624 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 593' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.314 0 N-CA-C 109.517 -1.433 . . . . 0.0 109.517 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 594' ' ' SER . . . . . . . . . . . . . 72.3 m -90.37 166.01 13.53 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.192 -1.181 . . . . 0.0 110.151 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 595' ' ' LEU . . . . . 0.502 ' CD2' ' N ' ' B' ' 595' ' ' LEU . 3.8 mm? -96.07 123.46 39.69 Favored 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 179.815 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 596' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -128.18 157.54 40.54 Favored 'General case' 0 N--CA 1.502 2.126 0 O-C-N 121.412 -0.805 . . . . 0.0 109.241 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 597' ' ' ARG . . . . . . . . . . . . . 48.3 mtm180 -107.42 -147.84 0.41 Allowed 'General case' 0 N--CA 1.503 2.195 0 CA-C-O 121.985 0.897 . . . . 0.0 111.705 -178.046 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 598' ' ' CYS . . . . . 0.61 ' SG ' ' N ' ' B' ' 599' ' ' SER . 6.2 t -70.98 -100.33 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.858 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.011 -178.292 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 599' ' ' SER . . . . . 0.61 ' N ' ' SG ' ' B' ' 598' ' ' CYS . 95.4 p -45.34 -18.31 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.974 0 CA-C-O 122.337 1.065 . . . . 0.0 109.346 -179.335 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 600' ' ' GLU . . . . . 0.511 ' N ' ' O ' ' B' ' 598' ' ' CYS . 2.2 tm-20 -50.51 -40.44 51.44 Favored 'General case' 0 C--N 1.297 -1.711 0 CA-C-O 122.437 1.113 . . . . 0.0 108.684 179.418 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 601' ' ' ILE . . . . . 0.542 ' O ' ' N ' ' B' ' 604' ' ' ARG . 1.1 mp -68.53 -38.23 78.85 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.132 0 C-N-CA 119.949 -0.7 . . . . 0.0 109.184 -177.27 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 602' ' ' TRP . . . . . 0.419 ' C ' ' O ' ' B' ' 601' ' ' ILE . 0.0 OUTLIER -44.73 -38.63 4.56 Favored 'General case' 0 N--CA 1.496 1.829 0 N-CA-C 107.366 -1.346 . . . . 0.0 107.366 -179.77 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 603' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -66.57 -42.75 86.57 Favored 'General case' 0 N--CA 1.486 1.363 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 177.528 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 604' ' ' ARG . . . . . 0.542 ' N ' ' O ' ' B' ' 601' ' ' ILE . 20.8 mmm180 -57.53 -34.65 69.35 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.385 -0.822 . . . . 0.0 109.371 179.129 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 605' ' ' ILE . . . . . . . . . . . . . 82.1 mt -83.29 -46.75 18.55 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.87 0 O-C-N 121.581 -0.7 . . . . 0.0 111.128 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 606' ' ' THR . . . . . . . . . . . . . 57.7 p . . . . . 0 N--CA 1.491 1.578 0 O-C-N 120.476 -1.39 . . . . 0.0 110.393 -178.727 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 614' ' ' ILE . . . . . 0.439 HD12 HG21 ' B' ' 614' ' ' ILE . 5.9 mm . . . . . 0 N--CA 1.491 1.613 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 615' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -170.26 94.48 0.23 Allowed 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 107.252 -1.388 . . . . 0.0 107.252 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 616' ' ' VAL . . . . . . . . . . . . . 14.4 t -80.8 -29.28 11.57 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.58 0 O-C-N 121.436 -0.79 . . . . 0.0 109.795 -179.205 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 617' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -65.78 -53.34 41.71 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.138 -0.976 . . . . 0.0 110.982 -178.592 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 618' ' ' GLY . . . . . . . . . . . . . . . -66.92 -40.08 93.44 Favored Glycine 0 N--CA 1.493 2.451 0 N-CA-C 109.546 -1.422 . . . . 0.0 109.546 -179.527 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 619' ' ' LEU . . . . . 0.42 ' C ' ' CD2' ' B' ' 619' ' ' LEU . 0.3 OUTLIER -63.13 -18.08 63.04 Favored 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 107.867 -1.16 . . . . 0.0 107.867 179.431 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 620' ' ' CYS . . . . . 0.468 ' O ' ' CG ' ' B' ' 624' ' ' MET . 10.8 t -74.13 -48.57 28.59 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.114 -0.991 . . . . 0.0 110.949 -179.511 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 21.3 t -82.75 -2.5 54.53 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 120.755 -1.215 . . . . 0.0 109.931 -179.418 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 622' ' ' GLU . . . . . 0.508 ' OE2' ' NE2' ' B' ' 648' ' ' HIS . 84.9 mt-10 -101.87 -42.4 6.16 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.234 -0.916 . . . . 0.0 109.806 178.539 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 623' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -86.36 -24.32 25.86 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 120.646 -1.284 . . . . 0.0 110.114 -179.456 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 624' ' ' MET . . . . . 0.468 ' CG ' ' O ' ' B' ' 620' ' ' CYS . 3.2 ppp? -76.1 -24.67 55.01 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.782 -1.199 . . . . 0.0 111.943 -177.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 625' ' ' ALA . . . . . . . . . . . . . . . -102.6 -26.41 13.22 Favored 'General case' 0 N--CA 1.505 2.294 0 O-C-N 120.61 -1.306 . . . . 0.0 108.972 179.535 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 626' ' ' LYS . . . . . . . . . . . . . 64.4 mttm -71.73 -9.22 57.96 Favored 'General case' 0 C--N 1.296 -1.724 0 N-CA-C 105.742 -1.947 . . . . 0.0 105.742 176.333 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 627' ' ' ALA . . . . . . . . . . . . . . . -44.56 134.3 5.39 Favored 'General case' 0 N--CA 1.49 1.552 0 CA-C-N 115.008 -0.996 . . . . 0.0 111.481 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 628' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? -98.8 87.89 3.88 Favored 'General case' 0 N--CA 1.493 1.684 0 N-CA-C 107.419 -1.326 . . . . 0.0 107.419 178.033 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 629' ' ' CYS . . . . . . . . . . . . . 49.5 t -57.21 130.35 45.79 Favored 'General case' 0 N--CA 1.491 1.603 0 CA-C-O 122.44 1.114 . . . . 0.0 111.698 -177.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 630' ' ' SER . . . . . . . . . . . . . 5.1 t -142.45 162.69 34.82 Favored 'General case' 0 N--CA 1.493 1.71 0 N-CA-C 107.453 -1.314 . . . . 0.0 107.453 178.715 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 631' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -66.41 -26.46 67.25 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.311 -1.493 . . . . 0.0 109.227 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 65.3 ttt180 -77.72 -16.23 58.59 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 108.226 -1.027 . . . . 0.0 108.226 178.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 633' ' ' GLY . . . . . . . . . . . . . . . 132.67 -176.32 19.52 Favored Glycine 0 N--CA 1.497 2.725 0 N-CA-C 108.564 -1.814 . . . . 0.0 108.564 -179.667 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 634' ' ' VAL . . . . . . . . . . . . . 33.0 m -78.52 161.62 4.25 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.391 0 O-C-N 120.774 -1.427 . . . . 0.0 109.816 179.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 2.6 t -143.04 133.97 23.14 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.005 0 N-CA-C 108.153 -1.055 . . . . 0.0 108.153 177.147 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 636' ' ' ILE . . . . . 0.436 HD11 HG21 ' B' ' 636' ' ' ILE . 17.4 mm -110.45 136.86 45.15 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.955 0 O-C-N 121.686 -0.634 . . . . 0.0 110.303 -178.355 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 637' ' ' ASN . . . . . 0.519 ' O ' ' N ' ' B' ' 639' ' ' GLU . 36.0 t-20 -89.04 133.67 34.27 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.956 -1.09 . . . . 0.0 108.208 178.294 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -46.21 -12.57 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.48 -0.762 . . . . 0.0 111.1 -178.425 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 639' ' ' GLU . . . . . 0.519 ' N ' ' O ' ' B' ' 637' ' ' ASN . 17.5 tp10 -82.14 -21.44 36.61 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.932 -1.105 . . . . 0.0 110.945 -179.093 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 640' ' ' ASP . . . . . 0.407 ' O ' ' N ' ' B' ' 644' ' ' ALA . 18.7 m-20 -86.83 -45.82 10.52 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 120.357 -1.464 . . . . 0.0 108.752 178.362 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 641' ' ' VAL . . . . . 0.486 ' CG1' ' N ' ' B' ' 642' ' ' GLN . 13.2 p -64.24 -51.93 62.28 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.588 0 O-C-N 120.763 -1.21 . . . . 0.0 108.268 178.249 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 642' ' ' GLN . . . . . 0.486 ' N ' ' CG1' ' B' ' 641' ' ' VAL . 10.8 tm0? -54.85 -33.77 62.14 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.114 -0.991 . . . . 0.0 109.017 179.708 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 643' ' ' LEU . . . . . . . . . . . . . 51.9 tp -84.37 -26.37 28.44 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.307 -0.87 . . . . 0.0 109.175 179.405 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 644' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' B' ' 640' ' ' ASP . . . -87.12 -30.09 21.35 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.817 -1.177 . . . . 0.0 109.381 179.012 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 645' ' ' LEU . . . . . . . . . . . . . 36.2 mt -87.19 -22.52 25.23 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 120.845 -1.16 . . . . 0.0 109.685 179.412 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 646' ' ' ASN . . . . . . . . . . . . . 18.6 t30 -91.45 -11.29 38.04 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 120.78 -1.2 . . . . 0.0 110.368 -179.523 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 647' ' ' LYS . . . . . . . . . . . . . 30.4 ttmt -93.41 -7.86 43.37 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 120.952 -1.092 . . . . 0.0 109.484 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 648' ' ' HIS . . . . . 0.508 ' NE2' ' OE2' ' B' ' 622' ' ' GLU . 7.3 m-70 -112.55 17.56 19.12 Favored 'General case' 0 N--CA 1.5 2.075 0 O-C-N 121.278 -0.889 . . . . 0.0 109.91 -179.819 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 649' ' ' MET . . . . . . . . . . . . . 17.7 mtt -97.09 99.96 11.46 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.097 -1.002 . . . . 0.0 109.218 179.645 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 650' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 . . . . . 0 N--CA 1.49 1.554 0 CA-C-O 118.025 -0.988 . . . . 0.0 109.444 -179.976 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 301' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 . . . . . 0 N--CA 1.492 1.633 0 N-CA-C 106.304 -1.739 . . . . 0.0 106.304 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 302' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -71.66 -59.12 2.92 Favored 'General case' 0 C--N 1.305 -1.361 0 CA-C-N 114.251 -1.341 . . . . 0.0 109.791 179.014 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 303' ' ' CYS . . . . . . . . . . . . . 1.8 t -75.93 -41.28 52.21 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.253 -0.905 . . . . 0.0 109.505 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 7.1 p -52.36 -29.44 23.86 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.43 -0.794 . . . . 0.0 110.441 -179.397 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -98.71 -13.95 20.0 Favored 'General case' 0 N--CA 1.502 2.163 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 178.363 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 306' ' ' MET . . . . . . . . . . . . . 40.7 ttm -74.83 -26.48 59.74 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 120.461 -1.4 . . . . 0.0 107.272 177.085 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 307' ' ' ASN . . . . . 0.457 ' O ' ' N ' ' A' ' 310' ' ' CYS . 19.4 t-20 -80.09 -41.91 24.63 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 105.932 -1.877 . . . . 0.0 105.932 178.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 308' ' ' GLN . . . . . 0.526 ' O ' ' N ' ' A' ' 310' ' ' CYS . 44.6 tt0 -36.29 -41.04 0.25 Allowed 'General case' 0 N--CA 1.502 2.153 0 CA-C-O 121.449 0.642 . . . . 0.0 109.431 178.338 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 309' ' ' VAL . . . . . . . . . . . . . 20.0 t -46.24 -15.48 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.879 0 CA-C-O 121.686 0.755 . . . . 0.0 109.31 179.047 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 310' ' ' CYS . . . . . 0.526 ' N ' ' O ' ' A' ' 308' ' ' GLN . 33.7 m -87.61 -30.43 20.48 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.647 -0.658 . . . . 0.0 109.454 179.474 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 311' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 308' ' ' GLN . . . . . . . . 0 N--CA 1.491 2.305 0 N-CA-C 109.63 -1.388 . . . . 0.0 109.63 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 593' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.475 0 N-CA-C 109.35 -1.5 . . . . 0.0 109.35 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 594' ' ' SER . . . . . . . . . . . . . 64.8 m -80.4 164.96 22.69 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.116 -1.226 . . . . 0.0 110.176 -179.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 595' ' ' LEU . . . . . 0.542 ' CD1' ' N ' ' B' ' 595' ' ' LEU . 7.3 mp -89.79 118.45 29.4 Favored 'General case' 0 C--N 1.299 -1.62 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 179.718 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 596' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -125.86 148.81 49.06 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.41 -0.806 . . . . 0.0 109.411 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 597' ' ' ARG . . . . . 0.528 ' H ' ' NE ' ' B' ' 597' ' ' ARG . 0.1 OUTLIER -73.66 -173.74 1.56 Allowed 'General case' 0 N--CA 1.494 1.77 0 CA-C-O 122.025 0.917 . . . . 0.0 110.763 -179.235 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 598' ' ' CYS . . . . . . . . . . . . . 2.5 p -71.46 -88.45 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.756 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.746 -177.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 13.5 t -43.09 -26.73 0.17 Allowed 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.452 -0.78 . . . . 0.0 110.406 -178.188 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 600' ' ' GLU . . . . . 0.478 ' OE1' ' NE ' ' B' ' 597' ' ' ARG . 77.2 mt-10 -56.29 -23.05 34.14 Favored 'General case' 0 C--N 1.302 -1.483 0 C-N-CA 118.266 -1.374 . . . . 0.0 107.854 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 601' ' ' ILE . . . . . 0.585 ' O ' ' N ' ' B' ' 604' ' ' ARG . 1.3 mp -73.0 -36.03 50.09 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.139 0 N-CA-C 106.676 -1.601 . . . . 0.0 106.676 179.322 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 602' ' ' TRP . . . . . 0.408 ' C ' ' O ' ' B' ' 601' ' ' ILE . 48.0 t-105 -46.4 -35.04 5.13 Favored 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 106.944 -1.502 . . . . 0.0 106.944 178.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 603' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -69.59 -39.46 77.29 Favored 'General case' 0 C--N 1.304 -1.396 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 177.555 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 604' ' ' ARG . . . . . 0.585 ' N ' ' O ' ' B' ' 601' ' ' ILE . 21.5 mmm180 -57.98 -28.43 64.38 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.285 -0.884 . . . . 0.0 109.457 179.095 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 605' ' ' ILE . . . . . . . . . . . . . 1.9 mp -86.18 -45.28 16.85 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.885 0 O-C-N 121.313 -0.867 . . . . 0.0 110.411 -179.224 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 606' ' ' THR . . . . . . . . . . . . . 40.4 p . . . . . 0 N--CA 1.491 1.607 0 O-C-N 120.89 -1.131 . . . . 0.0 110.188 -178.793 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 614' ' ' ILE . . . . . . . . . . . . . 56.7 mt . . . . . 0 N--CA 1.495 1.811 0 CA-C-O 120.716 0.294 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 615' ' ' ASP . . . . . . . . . . . . . 40.3 t0 54.3 88.46 0.04 OUTLIER 'General case' 0 N--CA 1.487 1.411 0 O-C-N 120.346 -1.471 . . . . 0.0 108.986 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 616' ' ' VAL . . . . . . . . . . . . . 28.4 m -72.38 -26.47 24.52 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 O-C-N 121.277 -0.889 . . . . 0.0 108.897 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 617' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -76.32 -40.08 52.36 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.433 -0.792 . . . . 0.0 110.109 -179.5 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 618' ' ' GLY . . . . . . . . . . . . . . . -70.7 -46.24 47.77 Favored Glycine 0 N--CA 1.488 2.156 0 C-N-CA 119.607 -1.282 . . . . 0.0 110.053 -179.681 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 619' ' ' LEU . . . . . 0.459 ' CD1' ' C ' ' B' ' 619' ' ' LEU . 1.8 pp -65.46 -19.67 66.03 Favored 'General case' 0 N--CA 1.486 1.329 0 O-C-N 120.826 -1.396 . . . . 0.0 108.561 -179.774 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 620' ' ' CYS . . . . . . . . . . . . . 48.7 t -71.81 -49.24 40.35 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.453 -0.779 . . . . 0.0 109.741 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 95.0 p -76.9 -2.15 32.08 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.854 -1.154 . . . . 0.0 108.705 179.408 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 622' ' ' GLU . . . . . . . . . . . . . 54.6 tt0 -100.6 -60.11 1.58 Allowed 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 176.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 623' ' ' LEU . . . . . . . . . . . . . 4.3 tp -61.4 -32.46 72.4 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.116 -0.99 . . . . 0.0 109.879 179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 624' ' ' MET . . . . . . . . . . . . . 18.0 ttt -75.2 -28.22 59.9 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.289 -0.882 . . . . 0.0 112.408 -177.682 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 625' ' ' ALA . . . . . . . . . . . . . . . -102.64 -16.65 15.98 Favored 'General case' 0 N--CA 1.508 2.462 0 O-C-N 120.723 -1.235 . . . . 0.0 109.878 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 626' ' ' LYS . . . . . . . . . . . . . 5.8 mptp? -75.42 -4.28 38.57 Favored 'General case' 0 C--N 1.299 -1.59 0 N-CA-C 105.277 -2.12 . . . . 0.0 105.277 176.141 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 627' ' ' ALA . . . . . . . . . . . . . . . -42.56 135.28 2.85 Favored 'General case' 0 N--CA 1.492 1.64 0 CA-C-N 115.129 -0.942 . . . . 0.0 111.745 -179.478 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 628' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -107.2 91.77 3.8 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 107.549 -1.278 . . . . 0.0 107.549 178.264 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 629' ' ' CYS . . . . . . . . . . . . . 25.0 t -58.31 122.17 12.59 Favored 'General case' 0 N--CA 1.493 1.698 0 CA-C-O 122.53 1.157 . . . . 0.0 111.799 -177.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 630' ' ' SER . . . . . 0.436 ' HG ' ' N ' ' B' ' 631' ' ' GLU . 46.9 t -142.91 160.94 39.39 Favored 'General case' 0 N--CA 1.495 1.784 0 N-CA-C 107.515 -1.291 . . . . 0.0 107.515 178.446 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 631' ' ' GLU . . . . . 0.561 ' C ' ' H ' ' B' ' 633' ' ' GLY . 10.4 mm-40 -64.98 -21.08 66.79 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.28 -1.513 . . . . 0.0 109.243 -179.737 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 21.3 mmm180 -79.58 33.44 0.25 Allowed 'General case' 0 N--CA 1.493 1.684 0 N-CA-C 107.181 -1.415 . . . . 0.0 107.181 177.651 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 633' ' ' GLY . . . . . 0.561 ' H ' ' C ' ' B' ' 631' ' ' GLU . . . 72.62 -168.1 53.2 Favored Glycine 0 N--CA 1.491 2.311 0 N-CA-C 107.294 -2.322 . . . . 0.0 107.294 -178.256 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 634' ' ' VAL . . . . . . . . . . . . . 7.9 p -78.59 148.82 5.93 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.407 0 O-C-N 120.239 -1.742 . . . . 0.0 109.523 179.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 33.3 m -139.66 138.26 39.28 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.922 0 O-C-N 121.107 -0.996 . . . . 0.0 108.524 178.334 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 636' ' ' ILE . . . . . . . . . . . . . 22.1 mm -114.57 137.15 48.9 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.902 0 O-C-N 121.669 -0.644 . . . . 0.0 109.515 -179.259 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 637' ' ' ASN . . . . . 0.509 ' O ' ' N ' ' B' ' 639' ' ' GLU . 9.4 m-80 -83.54 133.02 34.89 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.745 -1.222 . . . . 0.0 107.93 178.466 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -45.76 -14.92 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.512 -0.742 . . . . 0.0 110.846 -177.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 639' ' ' GLU . . . . . 0.509 ' N ' ' O ' ' B' ' 637' ' ' ASN . 66.4 mt-10 -84.14 -21.98 31.2 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.031 -1.043 . . . . 0.0 111.14 -178.855 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 640' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -84.12 -42.23 16.26 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 120.268 -1.52 . . . . 0.0 108.135 178.559 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 641' ' ' VAL . . . . . 0.425 ' CG1' ' N ' ' B' ' 642' ' ' GLN . 7.4 p -61.88 -51.43 72.7 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.544 0 N-CA-C 107.823 -1.177 . . . . 0.0 107.823 177.19 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 642' ' ' GLN . . . . . 0.425 ' N ' ' CG1' ' B' ' 641' ' ' VAL . 76.0 mt-30 -52.37 -33.98 45.62 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.082 -1.011 . . . . 0.0 109.647 179.718 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 643' ' ' LEU . . . . . . . . . . . . . 19.2 mt -81.13 -25.99 36.47 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.141 -0.974 . . . . 0.0 109.357 179.347 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 644' ' ' ALA . . . . . . . . . . . . . . . -87.47 -28.91 21.78 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.493 -1.379 . . . . 0.0 109.643 179.255 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 645' ' ' LEU . . . . . 0.475 ' O ' ' N ' ' B' ' 647' ' ' LYS . 41.9 mt -89.07 -69.31 0.72 Allowed 'General case' 0 N--CA 1.498 1.93 0 O-C-N 120.645 -1.284 . . . . 0.0 109.947 179.644 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 646' ' ' ASN . . . . . . . . . . . . . 65.9 m-20 -47.16 -15.54 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.287 -0.883 . . . . 0.0 110.392 -178.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 647' ' ' LYS . . . . . 0.663 ' HZ1' ' CE1' ' B' ' 648' ' ' HIS . 30.4 tttm -89.53 163.31 15.27 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.052 -1.03 . . . . 0.0 110.013 -179.486 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 648' ' ' HIS . . . . . 0.663 ' CE1' ' HZ1' ' B' ' 647' ' ' LYS . 17.8 m-70 65.69 27.81 11.23 Favored 'General case' 0 N--CA 1.493 1.692 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 -179.579 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 649' ' ' MET . . . . . . . . . . . . . 7.2 mmt -95.76 136.75 35.76 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.239 -0.913 . . . . 0.0 109.431 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 650' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 . . . . . 0 N--CA 1.49 1.566 0 CA-C-O 118.006 -0.997 . . . . 0.0 109.392 -179.922 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 301' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 . . . . . 0 N--CA 1.497 1.891 0 N-CA-C 106.59 -1.633 . . . . 0.0 106.59 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 302' ' ' PHE . . . . . . . . . . . . . 81.3 t80 -70.34 -64.53 0.88 Allowed 'General case' 0 C--N 1.298 -1.641 0 CA-C-N 113.658 -1.61 . . . . 0.0 109.192 178.427 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 303' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -68.48 -48.6 64.03 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.335 -0.853 . . . . 0.0 109.041 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 18.9 m -48.68 -22.47 0.79 Allowed 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.432 -0.792 . . . . 0.0 110.668 -179.567 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . 62.7 mmtt -101.74 -14.41 17.35 Favored 'General case' 0 N--CA 1.505 2.313 0 O-C-N 120.948 -1.095 . . . . 0.0 109.09 178.412 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 306' ' ' MET . . . . . . . . . . . . . 9.9 mmm -74.25 -24.28 59.27 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 120.438 -1.414 . . . . 0.0 107.343 177.071 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 307' ' ' ASN . . . . . 0.459 ' O ' ' N ' ' A' ' 310' ' ' CYS . 50.7 t-20 -86.37 -41.04 14.82 Favored 'General case' 0 N--CA 1.493 1.717 0 N-CA-C 106.184 -1.784 . . . . 0.0 106.184 178.31 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 308' ' ' GLN . . . . . 0.531 ' O ' ' N ' ' A' ' 310' ' ' CYS . 9.3 tp-100 -35.57 -39.6 0.14 Allowed 'General case' 0 N--CA 1.504 2.241 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.372 178.819 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 309' ' ' VAL . . . . . . . . . . . . . 4.0 t -46.33 -15.18 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.91 0 C-N-CA 119.819 -0.752 . . . . 0.0 109.364 178.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 310' ' ' CYS . . . . . 0.531 ' N ' ' O ' ' A' ' 308' ' ' GLN . 6.7 m -88.18 -38.76 15.05 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.5 -0.75 . . . . 0.0 109.313 179.388 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 311' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.411 0 N-CA-C 109.578 -1.409 . . . . 0.0 109.578 179.956 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 593' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.442 0 N-CA-C 109.054 -1.618 . . . . 0.0 109.054 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 594' ' ' SER . . . . . . . . . . . . . 45.7 m -81.41 159.45 24.3 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.21 -1.171 . . . . 0.0 110.188 -179.452 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 595' ' ' LEU . . . . . 0.49 ' N ' ' CD1' ' B' ' 595' ' ' LEU . 8.7 mp -73.6 121.65 21.01 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 108.085 -1.08 . . . . 0.0 108.085 179.078 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 596' ' ' LEU . . . . . 0.514 ' O ' ' N ' ' B' ' 636' ' ' ILE . 9.7 mt -127.96 144.27 51.1 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.416 -0.803 . . . . 0.0 109.357 -178.611 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 597' ' ' ARG . . . . . . . . . . . . . 46.4 mtm180 -87.07 -146.17 0.13 Allowed 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.195 -0.94 . . . . 0.0 110.769 -179.036 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 598' ' ' CYS . . . . . 0.664 ' SG ' ' N ' ' B' ' 599' ' ' SER . 0.0 OUTLIER -90.88 -72.73 0.56 Allowed 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.355 -0.841 . . . . 0.0 109.929 -178.606 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 599' ' ' SER . . . . . 0.664 ' N ' ' SG ' ' B' ' 598' ' ' CYS . 39.7 t -52.9 -27.61 19.46 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.579 -1.326 . . . . 0.0 107.909 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 600' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -46.83 -39.76 12.54 Favored 'General case' 0 C--N 1.3 -1.549 0 CA-C-O 122.332 1.063 . . . . 0.0 108.75 179.232 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 601' ' ' ILE . . . . . 0.605 ' O ' ' N ' ' B' ' 604' ' ' ARG . 1.5 mp -70.19 -33.16 53.5 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.189 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 -178.302 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 602' ' ' TRP . . . . . 0.434 ' N ' ' O ' ' B' ' 599' ' ' SER . 58.9 t-105 -44.13 -38.83 3.89 Favored 'General case' 0 N--CA 1.494 1.77 0 N-CA-C 107.582 -1.266 . . . . 0.0 107.582 179.399 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 603' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -68.69 -41.44 79.19 Favored 'General case' 0 C--N 1.303 -1.413 0 N-CA-C 107.563 -1.273 . . . . 0.0 107.563 177.211 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 604' ' ' ARG . . . . . 0.605 ' N ' ' O ' ' B' ' 601' ' ' ILE . 3.8 mmp_? -58.62 -21.56 53.92 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.424 -0.798 . . . . 0.0 109.532 178.824 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 605' ' ' ILE . . . . . . . . . . . . . 20.9 mm -88.35 -49.21 14.51 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.129 0 O-C-N 121.287 -0.883 . . . . 0.0 110.738 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 606' ' ' THR . . . . . . . . . . . . . 63.8 p . . . . . 0 N--CA 1.494 1.775 0 O-C-N 121.199 -0.938 . . . . 0.0 110.89 -178.375 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 614' ' ' ILE . . . . . 0.489 ' O ' ' CG2' ' B' ' 614' ' ' ILE . 38.5 mt . . . . . 0 N--CA 1.498 1.941 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 615' ' ' ASP . . . . . . . . . . . . . 12.4 t70 59.1 86.56 0.09 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 120.583 -1.323 . . . . 0.0 108.202 -179.699 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 616' ' ' VAL . . . . . . . . . . . . . 4.3 p -81.03 -22.34 10.87 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 O-C-N 121.547 -0.721 . . . . 0.0 109.694 -179.567 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 617' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -70.6 -43.71 68.79 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.283 -0.886 . . . . 0.0 110.328 -179.624 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 618' ' ' GLY . . . . . . . . . . . . . . . -70.03 -52.36 19.16 Favored Glycine 0 N--CA 1.491 2.353 0 N-CA-C 109.862 -1.295 . . . . 0.0 109.862 -179.59 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 619' ' ' LEU . . . . . 0.461 ' CD1' ' C ' ' B' ' 619' ' ' LEU . 0.7 OUTLIER -56.56 -19.26 14.95 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.185 -1.185 . . . . 0.0 108.899 -179.923 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 620' ' ' CYS . . . . . . . . . . . . . 41.8 t -74.08 -45.24 50.5 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.072 -1.018 . . . . 0.0 110.228 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 16.9 m -79.56 -0.17 32.36 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 120.822 -1.174 . . . . 0.0 109.24 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 622' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 -90.19 -43.84 10.15 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.43 -0.794 . . . . 0.0 109.779 177.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 623' ' ' LEU . . . . . . . . . . . . . 9.4 mp -85.99 -21.97 27.55 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 120.914 -1.116 . . . . 0.0 110.097 -179.281 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 624' ' ' MET . . . . . . . . . . . . . 15.0 ttt -61.04 -34.88 75.57 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.068 -1.02 . . . . 0.0 111.478 -178.598 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 625' ' ' ALA . . . . . 0.475 ' C ' ' H ' ' B' ' 627' ' ' ALA . . . -105.29 -33.61 8.15 Favored 'General case' 0 N--CA 1.505 2.318 0 O-C-N 120.888 -1.132 . . . . 0.0 110.081 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 626' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -61.24 -11.28 8.86 Favored 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 106.059 -1.83 . . . . 0.0 106.059 177.134 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 627' ' ' ALA . . . . . 0.475 ' H ' ' C ' ' B' ' 625' ' ' ALA . . . -47.35 134.15 11.83 Favored 'General case' 0 N--CA 1.493 1.68 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.459 -179.8 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 628' ' ' LYS . . . . . . . . . . . . . 56.0 mttm -105.41 91.33 3.73 Favored 'General case' 0 N--CA 1.494 1.769 0 N-CA-C 107.224 -1.398 . . . . 0.0 107.224 177.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 629' ' ' CYS . . . . . . . . . . . . . 46.9 t -59.85 137.87 57.95 Favored 'General case' 0 N--CA 1.491 1.607 0 CA-C-O 122.418 1.104 . . . . 0.0 112.345 -177.454 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 630' ' ' SER . . . . . . . . . . . . . 2.0 t -141.68 163.54 32.63 Favored 'General case' 0 N--CA 1.494 1.732 0 N-CA-C 107.197 -1.409 . . . . 0.0 107.197 178.258 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 631' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -70.02 -34.87 73.84 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.329 -1.482 . . . . 0.0 110.486 -178.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 73.8 mtm180 -70.79 -16.93 62.78 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.759 -1.213 . . . . 0.0 108.77 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 633' ' ' GLY . . . . . . . . . . . . . . . 141.91 -179.2 20.09 Favored Glycine 0 N--CA 1.495 2.595 0 N-CA-C 108.629 -1.788 . . . . 0.0 108.629 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 634' ' ' VAL . . . . . . . . . . . . . 7.5 p -78.62 160.92 4.41 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.366 0 O-C-N 120.651 -1.5 . . . . 0.0 110.102 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 26.9 m -151.09 143.11 16.67 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 N-CA-C 108.161 -1.051 . . . . 0.0 108.161 178.059 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 636' ' ' ILE . . . . . 0.514 ' N ' ' O ' ' B' ' 596' ' ' LEU . 95.3 mt -133.68 145.17 33.94 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.985 0 O-C-N 121.419 -0.801 . . . . 0.0 110.036 -178.717 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 637' ' ' ASN . . . . . 0.518 ' O ' ' N ' ' B' ' 639' ' ' GLU . 6.6 m-20 -86.43 132.89 33.83 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.28 -0.887 . . . . 0.0 109.67 179.67 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -46.41 -11.81 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.806 -0.559 . . . . 0.0 110.642 -179.616 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 639' ' ' GLU . . . . . 0.518 ' N ' ' O ' ' B' ' 637' ' ' ASN . 52.0 mm-40 -80.71 -20.36 43.01 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.681 -1.262 . . . . 0.0 109.632 179.706 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 640' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -88.19 -25.64 22.81 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 120.611 -1.306 . . . . 0.0 108.372 177.626 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 641' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -87.91 -33.73 6.8 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.778 0 O-C-N 121.269 -0.894 . . . . 0.0 108.877 179.01 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 642' ' ' GLN . . . . . . . . . . . . . 44.3 mm-40 -69.98 -33.0 71.5 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.234 -0.916 . . . . 0.0 108.623 179.147 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 643' ' ' LEU . . . . . . . . . . . . . 58.5 mt -85.93 -18.68 32.02 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.264 -0.897 . . . . 0.0 108.953 178.541 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 644' ' ' ALA . . . . . . . . . . . . . . . -87.14 -32.29 19.95 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.771 -1.205 . . . . 0.0 108.669 178.039 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 645' ' ' LEU . . . . . . . . . . . . . 14.1 mt -86.37 -25.65 25.24 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.284 -0.885 . . . . 0.0 109.526 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 646' ' ' ASN . . . . . . . . . . . . . 57.0 t-20 -90.05 -11.79 40.39 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.006 -1.059 . . . . 0.0 109.389 179.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 647' ' ' LYS . . . . . . . . . . . . . 42.3 tttm -86.89 -10.43 53.35 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.262 -0.899 . . . . 0.0 109.694 -179.681 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 648' ' ' HIS . . . . . . . . . . . . . 67.0 m-70 -111.2 22.18 15.49 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.352 -0.843 . . . . 0.0 109.535 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 649' ' ' MET . . . . . . . . . . . . . 15.1 mmt -96.46 103.39 15.3 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.193 -0.942 . . . . 0.0 109.428 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 650' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 . . . . . 0 N--CA 1.49 1.547 0 CA-C-O 117.989 -1.005 . . . . 0.0 109.524 179.992 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 301' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 . . . . . 0 N--CA 1.49 1.539 0 CA-C-O 121.245 0.545 . . . . 0.0 109.796 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 302' ' ' PHE . . . . . 0.474 ' CE1' ' SD ' ' A' ' 306' ' ' MET . 50.2 t80 -64.34 -53.6 46.25 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.342 -0.849 . . . . 0.0 109.699 -179.499 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 303' ' ' CYS . . . . . . . . . . . . . 20.9 m -84.35 -42.06 16.14 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.264 -0.897 . . . . 0.0 110.501 -179.303 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 22.2 p -61.14 -26.02 67.39 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.196 -0.94 . . . . 0.0 111.197 -178.549 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . 12.3 ttmm -93.17 -28.26 16.4 Favored 'General case' 0 N--CA 1.502 2.163 0 O-C-N 120.758 -1.214 . . . . 0.0 108.231 178.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 306' ' ' MET . . . . . 0.474 ' SD ' ' CE1' ' A' ' 302' ' ' PHE . 40.6 mtp -64.83 -18.68 65.34 Favored 'General case' 0 C--N 1.298 -1.632 0 N-CA-C 107.022 -1.473 . . . . 0.0 107.022 177.322 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 307' ' ' ASN . . . . . 0.456 ' O ' ' C ' ' A' ' 308' ' ' GLN . 80.7 m-20 -83.15 -36.82 24.44 Favored 'General case' 0 N--CA 1.487 1.383 0 N-CA-C 105.837 -1.912 . . . . 0.0 105.837 178.503 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 308' ' ' GLN . . . . . 0.547 ' C ' ' H ' ' A' ' 310' ' ' CYS . 23.8 tp60 -35.8 -38.01 0.11 Allowed 'General case' 0 N--CA 1.508 2.439 0 CA-C-O 121.763 0.792 . . . . 0.0 109.043 178.362 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 309' ' ' VAL . . . . . . . . . . . . . 20.4 t -47.09 -12.0 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.87 0 C-N-CA 120.019 -0.672 . . . . 0.0 109.678 179.227 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 310' ' ' CYS . . . . . 0.547 ' H ' ' C ' ' A' ' 308' ' ' GLN . 0.5 OUTLIER -88.66 -74.88 0.45 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.171 -0.956 . . . . 0.0 108.627 178.901 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 311' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.476 0 N-CA-C 109.621 -1.392 . . . . 0.0 109.621 179.938 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 593' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.302 0 N-CA-C 109.622 -1.391 . . . . 0.0 109.622 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 594' ' ' SER . . . . . . . . . . . . . 66.3 m -89.14 166.3 13.93 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.094 -1.239 . . . . 0.0 110.305 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 595' ' ' LEU . . . . . . . . . . . . . 37.2 mt -94.76 121.37 36.27 Favored 'General case' 0 C--N 1.298 -1.655 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 596' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -127.4 150.37 49.65 Favored 'General case' 0 N--CA 1.5 2.033 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 597' ' ' ARG . . . . . . . . . . . . . 52.5 mtm180 -87.64 -150.93 0.18 Allowed 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.265 -0.897 . . . . 0.0 110.217 -179.303 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 598' ' ' CYS . . . . . 0.415 ' O ' ' N ' ' B' ' 600' ' ' GLU . 2.1 p -82.92 -90.29 0.08 Allowed 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.358 -0.839 . . . . 0.0 110.643 -178.866 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 599' ' ' SER . . . . . 0.404 ' O ' ' N ' ' B' ' 602' ' ' TRP . 15.3 t -45.14 -23.97 0.21 Allowed 'General case' 0 N--CA 1.495 1.779 0 CA-C-O 121.9 0.857 . . . . 0.0 109.602 -179.255 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 600' ' ' GLU . . . . . 0.415 ' N ' ' O ' ' B' ' 598' ' ' CYS . 18.4 tp10 -48.01 -39.91 21.08 Favored 'General case' 0 C--N 1.304 -1.396 0 CA-C-O 122.616 1.198 . . . . 0.0 108.522 179.459 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 601' ' ' ILE . . . . . 0.546 ' O ' ' N ' ' B' ' 604' ' ' ARG . 1.1 mp -68.26 -34.55 66.85 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.195 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 -178.587 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 602' ' ' TRP . . . . . 0.415 ' C ' ' O ' ' B' ' 601' ' ' ILE . 61.8 t-105 -45.44 -37.89 5.58 Favored 'General case' 0 N--CA 1.495 1.78 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 179.72 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 603' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -66.89 -42.85 84.82 Favored 'General case' 0 C--N 1.303 -1.417 0 N-CA-C 107.625 -1.25 . . . . 0.0 107.625 177.531 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 604' ' ' ARG . . . . . 0.546 ' N ' ' O ' ' B' ' 601' ' ' ILE . 22.3 ttm-85 -57.29 -39.42 75.69 Favored 'General case' 0 N--CA 1.497 1.91 0 CA-C-O 121.881 0.848 . . . . 0.0 109.233 178.82 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 605' ' ' ILE . . . . . . . . . . . . . 76.1 mt -75.37 -49.72 26.54 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.977 0 O-C-N 121.826 -0.546 . . . . 0.0 111.092 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 606' ' ' THR . . . . . . . . . . . . . 43.1 p . . . . . 0 N--CA 1.491 1.624 0 O-C-N 120.844 -1.16 . . . . 0.0 110.324 -178.746 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 614' ' ' ILE . . . . . 0.471 ' CG2' ' N ' ' B' ' 615' ' ' ASP . 79.2 mt . . . . . 0 N--CA 1.495 1.786 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 615' ' ' ASP . . . . . 0.471 ' N ' ' CG2' ' B' ' 614' ' ' ILE . 26.5 t70 -121.11 112.87 19.24 Favored 'General case' 0 N--CA 1.494 1.741 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 179.341 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 616' ' ' VAL . . . . . . . . . . . . . 60.3 t -79.36 -16.63 13.21 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.515 0 O-C-N 121.276 -0.89 . . . . 0.0 109.24 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 617' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -74.81 -41.34 60.14 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.285 -0.884 . . . . 0.0 110.82 -179.026 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 618' ' ' GLY . . . . . 0.436 ' O ' ' OE2' ' B' ' 622' ' ' GLU . . . -62.97 -40.52 99.4 Favored Glycine 0 N--CA 1.49 2.267 0 C-N-CA 119.622 -1.275 . . . . 0.0 110.208 -179.296 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 619' ' ' LEU . . . . . 0.564 ' CD2' ' NE2' ' B' ' 648' ' ' HIS . 0.0 OUTLIER -66.8 -24.43 66.18 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 107.123 -1.436 . . . . 0.0 107.123 179.217 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 620' ' ' CYS . . . . . . . . . . . . . 5.6 t -62.57 -54.0 46.3 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.293 -0.879 . . . . 0.0 109.857 179.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 621' ' ' SER . . . . . 0.43 ' OG ' ' OE1' ' B' ' 622' ' ' GLU . 47.0 p -85.13 -10.69 56.48 Favored 'General case' 0 N--CA 1.501 2.119 0 O-C-N 120.745 -1.222 . . . . 0.0 111.416 -179.033 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 622' ' ' GLU . . . . . 0.436 ' OE2' ' O ' ' B' ' 618' ' ' GLY . 0.9 OUTLIER -101.79 -34.17 9.53 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 120.814 -1.179 . . . . 0.0 109.253 178.221 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 623' ' ' LEU . . . . . 0.433 ' N ' ' O ' ' B' ' 619' ' ' LEU . 1.1 tt -89.42 -22.28 22.61 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.75 -1.219 . . . . 0.0 109.723 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 624' ' ' MET . . . . . . . . . . . . . 5.4 ttt -83.83 -21.34 32.09 Favored 'General case' 0 N--CA 1.503 2.198 0 O-C-N 120.89 -1.131 . . . . 0.0 112.509 -178.451 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 625' ' ' ALA . . . . . . . . . . . . . . . -103.48 -9.02 19.67 Favored 'General case' 0 N--CA 1.509 2.505 0 O-C-N 120.718 -1.239 . . . . 0.0 110.03 -179.469 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 626' ' ' LYS . . . . . . . . . . . . . 63.9 mttm -86.71 -6.26 58.89 Favored 'General case' 0 N--CA 1.491 1.606 0 N-CA-C 106.159 -1.793 . . . . 0.0 106.159 176.516 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 627' ' ' ALA . . . . . . . . . . . . . . . -42.06 138.18 1.66 Allowed 'General case' 0 N--CA 1.492 1.674 0 CA-C-N 115.054 -0.975 . . . . 0.0 111.58 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 628' ' ' LYS . . . . . . . . . . . . . 17.9 tptm -111.29 91.9 3.83 Favored 'General case' 0 N--CA 1.496 1.865 0 N-CA-C 107.736 -1.209 . . . . 0.0 107.736 178.236 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 629' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -54.94 117.76 3.7 Favored 'General case' 0 N--CA 1.494 1.732 0 CA-C-O 122.346 1.07 . . . . 0.0 111.236 -178.034 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 630' ' ' SER . . . . . . . . . . . . . 31.1 t -142.96 160.45 40.32 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 107.633 -1.247 . . . . 0.0 107.633 178.323 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 631' ' ' GLU . . . . . 0.543 ' C ' ' H ' ' B' ' 633' ' ' GLY . 42.1 tt0 -63.97 -23.29 67.28 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.3 -1.5 . . . . 0.0 109.031 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 632' ' ' ARG . . . . . 0.566 ' CG ' HH11 ' B' ' 632' ' ' ARG . 3.7 mtt-85 -79.73 34.85 0.28 Allowed 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 107.579 -1.267 . . . . 0.0 107.579 177.872 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 633' ' ' GLY . . . . . 0.543 ' H ' ' C ' ' B' ' 631' ' ' GLU . . . 70.06 -170.49 44.18 Favored Glycine 0 N--CA 1.49 2.253 0 N-CA-C 107.684 -2.166 . . . . 0.0 107.684 -178.331 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 634' ' ' VAL . . . . . . . . . . . . . 78.9 t -78.21 141.88 14.88 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.408 0 O-C-N 120.493 -1.592 . . . . 0.0 109.199 179.37 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 31.4 m -131.21 136.33 57.94 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.233 0 O-C-N 121.146 -0.971 . . . . 0.0 109.255 178.608 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 636' ' ' ILE . . . . . . . . . . . . . 22.1 mm -113.29 144.3 21.22 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.928 0 O-C-N 121.78 -0.575 . . . . 0.0 109.546 -179.237 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 637' ' ' ASN . . . . . 0.5 ' O ' ' N ' ' B' ' 639' ' ' GLU . 9.6 p-10 -88.57 130.1 35.33 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.915 -1.116 . . . . 0.0 108.234 178.513 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -46.76 -13.73 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.56 -0.713 . . . . 0.0 110.775 -178.401 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 639' ' ' GLU . . . . . 0.5 ' N ' ' O ' ' B' ' 637' ' ' ASN . 15.5 tp10 -82.66 -25.13 33.37 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.134 -0.979 . . . . 0.0 110.977 -178.78 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 640' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -84.21 -51.71 6.82 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 120.167 -1.583 . . . . 0.0 108.112 178.475 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 641' ' ' VAL . . . . . 0.466 ' CG1' ' N ' ' B' ' 642' ' ' GLN . 13.0 p -53.66 -50.02 53.23 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.509 0 O-C-N 120.663 -1.273 . . . . 0.0 107.966 177.464 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 642' ' ' GLN . . . . . 0.466 ' N ' ' CG1' ' B' ' 641' ' ' VAL . 1.3 tm0? -54.36 -31.64 55.06 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.97 -1.081 . . . . 0.0 109.298 179.647 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 643' ' ' LEU . . . . . 0.456 ' O ' ' CG ' ' B' ' 647' ' ' LYS . 18.4 mt -81.91 -26.99 33.63 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.094 -1.004 . . . . 0.0 109.271 179.241 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 644' ' ' ALA . . . . . . . . . . . . . . . -86.59 -36.37 18.91 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.862 -1.149 . . . . 0.0 109.51 179.201 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 645' ' ' LEU . . . . . 0.54 ' O ' ' N ' ' B' ' 647' ' ' LYS . 43.7 mt -74.28 -68.9 0.48 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.688 -1.257 . . . . 0.0 108.432 178.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 646' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -48.19 -9.46 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.178 -0.951 . . . . 0.0 110.236 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 647' ' ' LYS . . . . . 0.579 ' C ' ' H ' ' B' ' 649' ' ' MET . 0.0 OUTLIER -76.78 -81.3 0.09 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.981 -1.074 . . . . 0.0 109.345 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 648' ' ' HIS . . . . . 0.564 ' NE2' ' CD2' ' B' ' 619' ' ' LEU . 1.6 p80 -60.71 25.03 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.105 -0.997 . . . . 0.0 111.8 -178.241 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 649' ' ' MET . . . . . 0.579 ' H ' ' C ' ' B' ' 647' ' ' LYS . 6.8 mmt -93.92 100.5 12.65 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.561 -1.337 . . . . 0.0 109.196 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 650' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 . . . . . 0 N--CA 1.49 1.547 0 CA-C-O 117.955 -1.022 . . . . 0.0 109.504 -179.988 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 301' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 . . . . . 0 N--CA 1.492 1.653 0 N-CA-C 106.161 -1.792 . . . . 0.0 106.161 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 302' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -78.42 -65.22 1.01 Allowed 'General case' 0 C--N 1.306 -1.31 0 CA-C-N 114.551 -1.204 . . . . 0.0 109.571 178.254 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 303' ' ' CYS . . . . . . . . . . . . . 4.0 m -58.25 -43.26 87.75 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.043 -1.036 . . . . 0.0 109.075 179.725 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 49.5 m -53.73 -34.06 57.7 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.542 -0.724 . . . . 0.0 110.782 -179.355 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 305' ' ' LYS . . . . . 0.432 ' NZ ' ' CB ' ' A' ' 305' ' ' LYS . 2.3 ttmp? -99.45 -15.21 18.79 Favored 'General case' 0 N--CA 1.504 2.266 0 O-C-N 120.978 -1.077 . . . . 0.0 108.409 178.242 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 306' ' ' MET . . . . . . . . . . . . . 4.7 ttt -75.09 -20.83 59.31 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 106.751 -1.574 . . . . 0.0 106.751 176.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 307' ' ' ASN . . . . . 0.455 ' O ' ' C ' ' A' ' 308' ' ' GLN . 31.7 m-20 -83.2 -41.67 18.17 Favored 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 105.751 -1.944 . . . . 0.0 105.751 178.129 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 308' ' ' GLN . . . . . 0.525 ' O ' ' N ' ' A' ' 310' ' ' CYS . 42.2 tt0 -36.36 -38.86 0.16 Allowed 'General case' 0 N--CA 1.506 2.36 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 178.512 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 309' ' ' VAL . . . . . . . . . . . . . 5.6 m -44.8 -17.55 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.501 2.083 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 178.446 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 310' ' ' CYS . . . . . 0.525 ' N ' ' O ' ' A' ' 308' ' ' GLN . 4.9 m -85.92 30.12 0.68 Allowed 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.498 -0.751 . . . . 0.0 108.974 179.174 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 311' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.536 0 N-CA-C 109.393 -1.483 . . . . 0.0 109.393 179.763 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 593' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.541 0 N-CA-C 108.7 -1.76 . . . . 0.0 108.7 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 594' ' ' SER . . . . . . . . . . . . . 57.9 m -123.98 162.54 23.21 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.452 -1.028 . . . . 0.0 109.802 179.488 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 595' ' ' LEU . . . . . . . . . . . . . 23.9 mt -82.71 118.46 23.37 Favored 'General case' 0 C--N 1.298 -1.634 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 179.16 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 596' ' ' LEU . . . . . 0.488 ' O ' ' N ' ' B' ' 636' ' ' ILE . 2.6 mt -127.22 147.87 50.21 Favored 'General case' 0 N--CA 1.504 2.234 0 O-C-N 121.377 -0.827 . . . . 0.0 108.802 -179.36 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 597' ' ' ARG . . . . . 0.43 HH21 ' ND2' ' A' ' 307' ' ' ASN . 50.7 ttt180 -111.0 -126.17 0.27 Allowed 'General case' 0 N--CA 1.504 2.228 0 O-C-N 121.709 -0.619 . . . . 0.0 111.741 -177.364 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 598' ' ' CYS . . . . . 0.588 ' SG ' ' N ' ' B' ' 599' ' ' SER . 8.6 t -88.21 -97.77 0.09 Allowed 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.379 -0.826 . . . . 0.0 111.19 -178.187 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 599' ' ' SER . . . . . 0.588 ' N ' ' SG ' ' B' ' 598' ' ' CYS . 14.3 t -43.96 -25.88 0.24 Allowed 'General case' 0 N--CA 1.497 1.918 0 CA-C-O 122.197 0.999 . . . . 0.0 109.346 -178.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 600' ' ' GLU . . . . . 0.421 ' HG3' ' H ' ' B' ' 597' ' ' ARG . 20.0 mm-40 -46.61 -40.34 12.78 Favored 'General case' 0 C--N 1.3 -1.566 0 CA-C-O 122.31 1.052 . . . . 0.0 109.085 178.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 601' ' ' ILE . . . . . 0.533 ' O ' ' N ' ' B' ' 604' ' ' ARG . 1.3 mp -71.35 -33.09 49.0 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 -178.581 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 602' ' ' TRP . . . . . 0.413 ' C ' ' O ' ' B' ' 601' ' ' ILE . 64.7 t-105 -45.24 -37.65 4.82 Favored 'General case' 0 N--CA 1.494 1.751 0 N-CA-C 107.599 -1.26 . . . . 0.0 107.599 179.707 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 603' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -69.4 -42.98 74.39 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 177.536 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 604' ' ' ARG . . . . . 0.533 ' N ' ' O ' ' B' ' 601' ' ' ILE . 9.6 mmt-85 -56.96 -30.63 64.23 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.312 -0.868 . . . . 0.0 109.396 179.085 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 605' ' ' ILE . . . . . . . . . . . . . 85.3 mt -83.32 -46.91 18.5 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.0 0 O-C-N 121.423 -0.798 . . . . 0.0 110.902 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 606' ' ' THR . . . . . . . . . . . . . 21.4 p . . . . . 0 N--CA 1.493 1.684 0 O-C-N 120.878 -1.139 . . . . 0.0 110.274 -179.013 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 614' ' ' ILE . . . . . 0.541 ' CG2' ' N ' ' B' ' 615' ' ' ASP . 4.0 mt . . . . . 0 N--CA 1.494 1.773 0 N-CA-C 107.709 -1.219 . . . . 0.0 107.709 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 615' ' ' ASP . . . . . 0.541 ' N ' ' CG2' ' B' ' 614' ' ' ILE . 1.1 m-20 -107.49 109.19 20.82 Favored 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 107.621 -1.251 . . . . 0.0 107.621 178.748 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 616' ' ' VAL . . . . . . . . . . . . . 8.4 m -74.55 -21.12 17.16 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.63 0 O-C-N 121.247 -0.908 . . . . 0.0 108.733 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 617' ' ' ASP . . . . . . . . . . . . . 57.7 m-20 -78.27 -43.6 27.69 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.435 -0.791 . . . . 0.0 110.327 -179.293 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 618' ' ' GLY . . . . . . . . . . . . . . . -69.47 -55.5 9.96 Favored Glycine 0 N--CA 1.488 2.16 0 N-CA-C 109.298 -1.521 . . . . 0.0 109.298 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 619' ' ' LEU . . . . . 0.454 ' CD1' ' C ' ' B' ' 619' ' ' LEU . 1.0 OUTLIER -57.2 -19.79 23.01 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.349 -1.089 . . . . 0.0 109.201 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 620' ' ' CYS . . . . . . . . . . . . . 7.0 t -75.09 -43.27 53.97 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.812 -1.18 . . . . 0.0 109.875 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 11.1 m -79.39 -0.33 32.38 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 120.879 -1.138 . . . . 0.0 109.126 179.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 622' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 -92.2 -44.11 8.95 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.356 -0.84 . . . . 0.0 109.525 177.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 623' ' ' LEU . . . . . . . . . . . . . 8.1 mp -85.74 -24.09 27.06 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 120.907 -1.121 . . . . 0.0 110.132 -179.342 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 624' ' ' MET . . . . . 0.44 ' SD ' ' O ' ' B' ' 624' ' ' MET . 0.3 OUTLIER -62.34 -34.07 75.94 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 120.994 -1.066 . . . . 0.0 111.543 -178.282 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 625' ' ' ALA . . . . . 0.435 ' C ' ' N ' ' B' ' 627' ' ' ALA . . . -105.29 -33.31 8.25 Favored 'General case' 0 N--CA 1.505 2.314 0 O-C-N 120.785 -1.197 . . . . 0.0 109.608 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 626' ' ' LYS . . . . . . . . . . . . . 64.9 mttm -61.72 -13.18 20.81 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 106.473 -1.677 . . . . 0.0 106.473 177.328 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 627' ' ' ALA . . . . . 0.435 ' N ' ' C ' ' B' ' 625' ' ' ALA . . . -47.08 137.61 7.53 Favored 'General case' 0 N--CA 1.492 1.663 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.547 -179.723 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 628' ' ' LYS . . . . . . . . . . . . . 59.8 tttm -107.63 91.98 3.88 Favored 'General case' 0 N--CA 1.496 1.86 0 N-CA-C 107.399 -1.334 . . . . 0.0 107.399 178.098 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 629' ' ' CYS . . . . . . . . . . . . . 44.1 t -58.8 137.01 57.93 Favored 'General case' 0 N--CA 1.492 1.652 0 CA-C-O 122.385 1.088 . . . . 0.0 112.402 -177.62 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 630' ' ' SER . . . . . 0.427 ' OG ' ' O ' ' B' ' 633' ' ' GLY . 0.9 OUTLIER -141.52 162.36 35.66 Favored 'General case' 0 N--CA 1.495 1.784 0 N-CA-C 107.29 -1.374 . . . . 0.0 107.29 178.294 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 631' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -69.79 -36.28 75.58 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.296 -1.502 . . . . 0.0 110.386 -178.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 632' ' ' ARG . . . . . 0.525 ' CG ' HH11 ' B' ' 632' ' ' ARG . 0.1 OUTLIER -71.28 -17.3 62.48 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.828 -1.17 . . . . 0.0 108.721 179.794 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 633' ' ' GLY . . . . . 0.427 ' O ' ' OG ' ' B' ' 630' ' ' SER . . . 143.41 179.18 19.83 Favored Glycine 0 N--CA 1.495 2.575 0 N-CA-C 108.915 -1.674 . . . . 0.0 108.915 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 634' ' ' VAL . . . . . 0.407 ' CG1' ' N ' ' B' ' 635' ' ' VAL . 75.9 t -78.91 162.44 3.95 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.383 0 O-C-N 120.771 -1.429 . . . . 0.0 109.896 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 635' ' ' VAL . . . . . 0.407 ' N ' ' CG1' ' B' ' 634' ' ' VAL . 22.7 m -152.24 140.7 14.35 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.172 -0.955 . . . . 0.0 108.645 178.153 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 636' ' ' ILE . . . . . 0.488 ' N ' ' O ' ' B' ' 596' ' ' LEU . 68.6 mt -131.43 141.17 46.54 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.973 0 O-C-N 121.482 -0.761 . . . . 0.0 109.355 -179.615 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 637' ' ' ASN . . . . . 0.53 ' O ' ' N ' ' B' ' 639' ' ' GLU . 40.5 m-80 -81.7 133.21 35.33 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.175 -0.953 . . . . 0.0 109.307 179.707 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -46.19 -11.66 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.899 -0.501 . . . . 0.0 110.595 -179.632 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 639' ' ' GLU . . . . . 0.53 ' N ' ' O ' ' B' ' 637' ' ' ASN . 68.6 mt-10 -82.45 -21.77 35.51 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.879 -1.138 . . . . 0.0 110.705 -179.489 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 640' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -81.26 -56.94 3.73 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 120.16 -1.588 . . . . 0.0 107.683 177.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 641' ' ' VAL . . . . . 0.484 ' O ' ' N ' ' B' ' 644' ' ' ALA . 7.6 p -51.17 -53.37 15.11 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.533 0 O-C-N 121.103 -0.998 . . . . 0.0 108.519 177.47 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 642' ' ' GLN . . . . . 0.422 ' H ' ' CG1' ' B' ' 641' ' ' VAL . 43.0 tp60 -47.84 -34.97 9.5 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.907 -1.121 . . . . 0.0 109.224 179.74 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 643' ' ' LEU . . . . . . . . . . . . . 47.3 mt -82.46 -19.7 38.37 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.089 -1.007 . . . . 0.0 108.969 178.354 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 644' ' ' ALA . . . . . 0.484 ' N ' ' O ' ' B' ' 641' ' ' VAL . . . -87.12 -33.06 19.57 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 120.814 -1.179 . . . . 0.0 109.241 178.488 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 645' ' ' LEU . . . . . . . . . . . . . 84.9 mt -87.3 -23.76 24.54 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.997 -1.064 . . . . 0.0 109.804 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 646' ' ' ASN . . . . . . . . . . . . . 54.1 t30 -91.98 -17.5 25.03 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.024 -1.048 . . . . 0.0 110.421 -179.415 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 647' ' ' LYS . . . . . . . . . . . . . 3.6 ttmp? -93.38 -13.1 28.47 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 120.966 -1.084 . . . . 0.0 109.404 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 648' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -108.09 17.99 21.68 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.195 -0.941 . . . . 0.0 109.16 179.37 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 649' ' ' MET . . . . . . . . . . . . . 42.8 tpp -96.52 100.05 11.66 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.422 -0.798 . . . . 0.0 109.342 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 650' ' ' ASN . . . . . . . . . . . . . 53.1 t30 . . . . . 0 N--CA 1.491 1.62 0 CA-C-O 117.978 -1.01 . . . . 0.0 109.381 179.934 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 301' ' ' GLU . . . . . 0.43 ' CD ' ' H ' ' A' ' 301' ' ' GLU . 17.8 mp0 . . . . . 0 N--CA 1.488 1.428 0 N-CA-C 105.835 -1.913 . . . . 0.0 105.835 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 302' ' ' PHE . . . . . 0.401 ' CE1' ' SD ' ' A' ' 306' ' ' MET . 0.1 OUTLIER -76.99 -66.6 0.8 Allowed 'General case' 0 C--N 1.31 -1.152 0 CA-C-N 114.861 -1.063 . . . . 0.0 108.994 178.379 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 303' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -61.0 -29.72 69.87 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.08 -1.012 . . . . 0.0 108.687 179.625 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 6.3 t -60.01 -37.9 81.07 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.639 -0.663 . . . . 0.0 111.39 -178.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . 53.8 mttp -103.29 -19.91 14.3 Favored 'General case' 0 N--CA 1.509 2.508 0 O-C-N 120.966 -1.084 . . . . 0.0 109.729 179.523 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 306' ' ' MET . . . . . 0.401 ' SD ' ' CE1' ' A' ' 302' ' ' PHE . 2.1 mtt -70.69 -23.81 62.55 Favored 'General case' 0 C--N 1.297 -1.716 0 N-CA-C 106.958 -1.497 . . . . 0.0 106.958 177.367 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 307' ' ' ASN . . . . . 0.451 ' O ' ' C ' ' A' ' 308' ' ' GLN . 67.4 m-20 -88.48 -40.01 13.78 Favored 'General case' 0 N--CA 1.495 1.788 0 N-CA-C 106.797 -1.557 . . . . 0.0 106.797 178.84 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 308' ' ' GLN . . . . . 0.551 ' O ' ' N ' ' A' ' 310' ' ' CYS . 35.2 tt0 -34.52 -36.7 0.05 OUTLIER 'General case' 0 N--CA 1.508 2.43 0 CA-C-O 121.695 0.76 . . . . 0.0 109.302 178.577 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 309' ' ' VAL . . . . . 0.43 ' N ' ' O ' ' A' ' 307' ' ' ASN . 30.5 t -46.66 -12.87 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.813 0 C-N-CA 120.067 -0.653 . . . . 0.0 109.56 179.141 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 310' ' ' CYS . . . . . 0.551 ' N ' ' O ' ' A' ' 308' ' ' GLN . 0.0 OUTLIER -88.16 16.12 6.59 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.428 -0.795 . . . . 0.0 108.956 179.348 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 311' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 308' ' ' GLN . . . . . . . . 0 N--CA 1.492 2.414 0 N-CA-C 109.851 -1.299 . . . . 0.0 109.851 -179.666 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 593' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.245 0 N-CA-C 109.333 -1.507 . . . . 0.0 109.333 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 594' ' ' SER . . . . . . . . . . . . . 66.8 m -78.79 165.49 23.52 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.228 -1.16 . . . . 0.0 110.061 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 595' ' ' LEU . . . . . 0.521 ' CD1' ' N ' ' B' ' 595' ' ' LEU . 8.0 mp -92.57 118.77 31.35 Favored 'General case' 0 C--N 1.3 -1.57 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 596' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -127.32 158.03 38.32 Favored 'General case' 0 N--CA 1.502 2.152 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 597' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -101.24 -142.76 0.34 Allowed 'General case' 0 N--CA 1.501 2.086 0 O-C-N 121.177 -0.952 . . . . 0.0 111.353 -178.401 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 598' ' ' CYS . . . . . 0.551 ' O ' ' N ' ' B' ' 600' ' ' GLU . 7.1 p -74.36 -103.52 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.459 -0.775 . . . . 0.0 111.421 -178.046 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 599' ' ' SER . . . . . 0.498 ' O ' ' N ' ' B' ' 602' ' ' TRP . 26.1 t -44.59 -16.95 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.919 0 CA-C-O 122.041 0.924 . . . . 0.0 109.451 -179.251 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 600' ' ' GLU . . . . . 0.551 ' N ' ' O ' ' B' ' 598' ' ' CYS . 8.3 tp10 -43.85 -42.13 5.51 Favored 'General case' 0 C--N 1.302 -1.467 0 CA-C-O 122.573 1.177 . . . . 0.0 108.953 179.095 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 601' ' ' ILE . . . . . 0.536 ' O ' ' N ' ' B' ' 604' ' ' ARG . 1.3 mp -69.52 -33.06 55.31 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.086 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 -178.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 602' ' ' TRP . . . . . 0.498 ' N ' ' O ' ' B' ' 599' ' ' SER . 62.0 t-105 -44.94 -37.6 4.09 Favored 'General case' 0 N--CA 1.494 1.754 0 N-CA-C 107.817 -1.179 . . . . 0.0 107.817 179.725 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 603' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -69.17 -43.81 73.5 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 107.534 -1.284 . . . . 0.0 107.534 177.543 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 604' ' ' ARG . . . . . 0.556 HH11 ' CG ' ' B' ' 604' ' ' ARG . 0.0 OUTLIER -56.07 -42.74 77.15 Favored 'General case' 0 N--CA 1.497 1.924 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 178.683 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 605' ' ' ILE . . . . . . . . . . . . . 54.8 mt -72.23 -46.54 57.36 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.796 0 O-C-N 121.701 -0.625 . . . . 0.0 109.947 179.181 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 606' ' ' THR . . . . . . . . . . . . . 18.0 m . . . . . 0 C--N 1.302 -1.461 0 O-C-N 120.939 -1.1 . . . . 0.0 109.85 -179.418 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 614' ' ' ILE . . . . . 0.566 ' CG2' ' H ' ' B' ' 615' ' ' ASP . 68.4 mt . . . . . 0 N--CA 1.497 1.911 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 615' ' ' ASP . . . . . 0.566 ' H ' ' CG2' ' B' ' 614' ' ' ILE . 75.9 m-20 -118.91 106.44 12.48 Favored 'General case' 0 N--CA 1.495 1.798 0 N-CA-C 108.153 -1.055 . . . . 0.0 108.153 179.327 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 616' ' ' VAL . . . . . . . . . . . . . 17.5 t -80.27 -16.77 12.72 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.623 0 O-C-N 121.426 -0.796 . . . . 0.0 109.169 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 617' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -72.74 -46.65 52.42 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.323 -0.861 . . . . 0.0 110.672 -178.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 618' ' ' GLY . . . . . . . . . . . . . . . -69.35 -41.99 76.16 Favored Glycine 0 N--CA 1.492 2.379 0 N-CA-C 109.568 -1.413 . . . . 0.0 109.568 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 619' ' ' LEU . . . . . . . . . . . . . 20.5 tp -61.95 -22.57 65.74 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.283 -1.128 . . . . 0.0 108.622 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 620' ' ' CYS . . . . . . . . . . . . . 19.1 t -73.37 -48.82 31.02 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.124 -0.985 . . . . 0.0 110.898 -179.47 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 24.9 m -80.78 0.13 36.14 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 120.83 -1.169 . . . . 0.0 109.356 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 622' ' ' GLU . . . . . 0.482 ' OE2' ' NZ ' ' B' ' 626' ' ' LYS . 5.7 tp10 -98.24 -48.81 4.94 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.549 -0.719 . . . . 0.0 110.047 178.88 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 623' ' ' LEU . . . . . . . . . . . . . 14.4 mt -85.73 -19.26 31.08 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 120.312 -1.492 . . . . 0.0 110.119 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 624' ' ' MET . . . . . . . . . . . . . 28.3 ttt -73.33 -30.26 63.23 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.128 -0.983 . . . . 0.0 111.679 -178.308 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 625' ' ' ALA . . . . . . . . . . . . . . . -103.94 -5.86 21.84 Favored 'General case' 0 N--CA 1.506 2.339 0 O-C-N 120.8 -1.188 . . . . 0.0 109.752 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 626' ' ' LYS . . . . . 0.482 ' NZ ' ' OE2' ' B' ' 622' ' ' GLU . 42.7 mttp -89.01 -9.31 51.84 Favored 'General case' 0 N--CA 1.492 1.645 0 N-CA-C 106.066 -1.827 . . . . 0.0 106.066 176.271 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 627' ' ' ALA . . . . . . . . . . . . . . . -42.71 140.65 1.24 Allowed 'General case' 0 N--CA 1.491 1.585 0 CA-C-N 115.268 -0.878 . . . . 0.0 111.108 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 628' ' ' LYS . . . . . . . . . . . . . 44.2 mtmt -120.78 92.39 3.75 Favored 'General case' 0 N--CA 1.498 1.947 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 178.587 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 629' ' ' CYS . . . . . . . . . . . . . 1.3 m -51.3 117.38 2.56 Favored 'General case' 0 N--CA 1.494 1.768 0 CA-C-O 122.25 1.024 . . . . 0.0 111.748 -177.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 630' ' ' SER . . . . . . . . . . . . . 31.1 t -142.79 158.23 43.84 Favored 'General case' 0 N--CA 1.496 1.832 0 N-CA-C 107.391 -1.337 . . . . 0.0 107.391 177.702 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 631' ' ' GLU . . . . . 0.549 ' C ' ' H ' ' B' ' 633' ' ' GLY . 12.4 pm0 -62.88 -23.56 67.38 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.247 -1.533 . . . . 0.0 109.806 -179.42 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 51.2 ttt180 -78.52 34.27 0.21 Allowed 'General case' 0 N--CA 1.491 1.598 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 178.149 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 633' ' ' GLY . . . . . 0.549 ' H ' ' C ' ' B' ' 631' ' ' GLU . . . 73.54 -171.89 51.16 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 107.476 -2.25 . . . . 0.0 107.476 -178.416 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 634' ' ' VAL . . . . . . . . . . . . . 7.1 p -76.71 140.34 17.34 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.385 0 O-C-N 120.341 -1.682 . . . . 0.0 109.22 179.253 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 15.8 m -133.16 135.86 56.02 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.121 0 O-C-N 121.117 -0.99 . . . . 0.0 109.598 179.052 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 636' ' ' ILE . . . . . . . . . . . . . 95.2 mt -133.26 156.88 42.42 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.835 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 -179.576 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 637' ' ' ASN . . . . . 0.514 ' C ' ' H ' ' B' ' 639' ' ' GLU . 5.8 m120 -87.17 126.08 34.57 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.882 -1.136 . . . . 0.0 110.887 -179.188 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -48.29 -10.46 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.881 -0.512 . . . . 0.0 109.854 178.46 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 639' ' ' GLU . . . . . 0.514 ' H ' ' C ' ' B' ' 637' ' ' ASN . 37.8 tt0 -74.94 -17.39 60.56 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.028 -1.045 . . . . 0.0 109.331 179.165 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 640' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -87.96 -41.53 13.08 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 120.59 -1.319 . . . . 0.0 108.729 177.655 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 641' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -70.38 -34.98 60.35 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.901 0 O-C-N 120.857 -1.152 . . . . 0.0 108.802 179.024 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 642' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -70.32 -38.54 74.92 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.347 -0.845 . . . . 0.0 109.717 -179.673 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 643' ' ' LEU . . . . . . . . . . . . . 88.1 mt -83.63 -19.15 35.95 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.013 -1.054 . . . . 0.0 108.865 178.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 644' ' ' ALA . . . . . . . . . . . . . . . -86.79 -53.14 5.09 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.908 -1.12 . . . . 0.0 108.066 178.01 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 645' ' ' LEU . . . . . 0.535 ' O ' ' N ' ' B' ' 647' ' ' LYS . 86.3 mt -56.22 -70.09 0.13 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.312 -0.868 . . . . 0.0 109.194 178.419 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 646' ' ' ASN . . . . . . . . . . . . . 33.7 p-10 -47.57 -9.79 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.944 -1.097 . . . . 0.0 110.948 -178.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 647' ' ' LYS . . . . . 0.535 ' N ' ' O ' ' B' ' 645' ' ' LEU . 22.7 ttmt -100.96 174.24 6.11 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.075 -1.016 . . . . 0.0 109.785 -179.502 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 648' ' ' HIS . . . . . 0.514 ' H ' ' CG ' ' B' ' 647' ' ' LYS . 63.4 m-70 55.71 9.59 0.44 Allowed 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 -179.713 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 649' ' ' MET . . . . . 0.466 ' H ' ' C ' ' B' ' 647' ' ' LYS . 13.4 ttm -94.23 144.2 25.72 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.554 -0.716 . . . . 0.0 109.563 -179.099 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 650' ' ' ASN . . . . . 0.411 ' ND2' ' O ' ' B' ' 649' ' ' MET . 22.3 m120 . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 117.95 -1.024 . . . . 0.0 109.369 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 279' ' ' ASN . . . . . . . . . . . . . 36.5 t-20 . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . 16.8 mt -68.49 -149.06 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.218 -0.927 . . . . 0.0 109.43 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 281' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -157.56 -0.91 0.11 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.212 -0.93 . . . . 0.0 109.441 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 282' ' ' SER . . . . . 0.537 ' O ' ' N ' ' A' ' 284' ' ' MET . 59.2 m -61.39 -161.53 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.272 -0.893 . . . . 0.0 109.419 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 283' ' ' ASN . . . . . 0.401 ' C ' HD21 ' A' ' 283' ' ' ASN . 0.1 OUTLIER 62.12 -71.88 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.549 -0.719 . . . . 0.0 109.662 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 284' ' ' MET . . . . . 0.537 ' N ' ' O ' ' A' ' 282' ' ' SER . 50.2 mtt -47.41 138.92 7.08 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.17 -0.956 . . . . 0.0 109.669 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 285' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -73.35 175.38 6.96 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.283 -0.885 . . . . 0.0 109.477 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 286' ' ' SER . . . . . . . . . . . . . 39.5 t -70.75 178.8 2.9 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.227 -0.92 . . . . 0.0 109.487 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 287' ' ' ASN . . . . . . . . . . . . . 21.0 m120 -157.63 84.82 0.9 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.269 -0.894 . . . . 0.0 109.404 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 288' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -158.06 72.82 0.65 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.328 -0.857 . . . . 0.0 109.524 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 289' ' ' PHE . . . . . . . . . . . . . 46.8 p90 -70.84 -14.84 62.55 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.17 -0.956 . . . . 0.0 109.443 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 290' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -67.49 -12.6 60.7 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.238 -0.914 . . . . 0.0 109.357 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 291' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -60.96 -37.66 83.17 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.304 -0.873 . . . . 0.0 109.357 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 292' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -168.7 -56.9 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.237 -0.914 . . . . 0.0 109.51 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 293' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -171.27 -64.76 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.279 -0.888 . . . . 0.0 109.522 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 294' ' ' GLN . . . . . . . . . . . . . 80.1 mm-40 -80.21 164.96 22.86 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.308 -0.87 . . . . 0.0 109.545 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 295' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -70.81 155.73 40.42 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.283 -0.886 . . . . 0.0 109.477 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -74.03 -42.42 60.32 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.283 -0.885 . . . . 0.0 109.453 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 297' ' ' GLU . . . . . . . . . . . . . 52.8 mm-40 52.21 -153.15 0.22 Allowed 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.255 -0.903 . . . . 0.0 109.462 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 298' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -163.34 -7.92 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.252 -0.905 . . . . 0.0 109.342 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 299' ' ' VAL . . . . . . . . . . . . . 2.5 m -147.45 85.79 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.862 0 O-C-N 121.116 -0.99 . . . . 0.0 109.181 179.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 300' ' ' SER . . . . . 0.528 ' O ' ' N ' ' A' ' 304' ' ' SER . 7.6 t -124.75 -127.31 0.25 Allowed 'General case' 0 N--CA 1.492 1.648 0 CA-C-O 121.483 0.659 . . . . 0.0 109.87 -178.698 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 301' ' ' GLU . . . . . . . . . . . . . 21.0 pt-20 -45.9 -35.89 4.95 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.478 -0.764 . . . . 0.0 109.072 179.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 302' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -61.83 -64.76 0.84 Allowed 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.563 -0.71 . . . . 0.0 109.298 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 303' ' ' CYS . . . . . . . . . . . . . 19.9 t -76.54 -48.1 20.49 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.191 -0.943 . . . . 0.0 110.624 -179.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 304' ' ' SER . . . . . 0.528 ' N ' ' O ' ' A' ' 300' ' ' SER . 16.2 m -51.7 -20.16 1.95 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.291 -0.881 . . . . 0.0 111.142 -178.751 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -102.97 -19.17 14.69 Favored 'General case' 0 N--CA 1.504 2.259 0 O-C-N 120.947 -1.096 . . . . 0.0 108.78 178.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 306' ' ' MET . . . . . . . . . . . . . 19.8 mmm -70.06 -23.44 63.08 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 107.662 -1.236 . . . . 0.0 107.662 177.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 307' ' ' ASN . . . . . 0.438 ' O ' ' C ' ' A' ' 308' ' ' GLN . 3.9 m-80 -91.82 -37.48 12.92 Favored 'General case' 0 N--CA 1.499 2.003 0 N-CA-C 106.931 -1.507 . . . . 0.0 106.931 178.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 308' ' ' GLN . . . . . 0.549 ' C ' ' H ' ' A' ' 310' ' ' CYS . 29.2 tt0 -35.64 -38.71 0.12 Allowed 'General case' 0 N--CA 1.506 2.347 0 CA-C-O 121.748 0.785 . . . . 0.0 109.255 178.321 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 309' ' ' VAL . . . . . 0.435 ' C ' ' H ' ' A' ' 311' ' ' GLY . 48.6 t -46.8 -12.42 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.775 0 CA-C-O 121.526 0.679 . . . . 0.0 109.759 179.377 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 310' ' ' CYS . . . . . 0.549 ' H ' ' C ' ' A' ' 308' ' ' GLN . 4.2 t -73.63 9.9 1.27 Allowed 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.512 -0.743 . . . . 0.0 109.547 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 311' ' ' GLY . . . . . 0.435 ' H ' ' C ' ' A' ' 309' ' ' VAL . . . -75.45 133.74 15.28 Favored Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.412 -1.475 . . . . 0.0 109.412 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 312' ' ' THR . . . . . . . . . . . . . 31.1 m -76.89 118.38 19.43 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.177 -1.19 . . . . 0.0 109.531 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 313' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 . . . . . 0 N--CA 1.489 1.524 0 CA-C-O 117.979 -1.01 . . . . 0.0 109.512 179.969 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 565' ' ' ASN . . . . . 0.613 ' N ' HD21 ' B' ' 565' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 566' ' ' GLY . . . . . . . . . . . . . . . 178.84 149.81 8.45 Favored Glycine 0 N--CA 1.49 2.274 0 N-CA-C 109.572 -1.411 . . . . 0.0 109.572 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 567' ' ' SER . . . . . 0.437 ' O ' ' N ' ' B' ' 569' ' ' LEU . 91.1 p -65.78 -14.07 60.64 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.249 -1.148 . . . . 0.0 109.441 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 568' ' ' SER . . . . . 0.518 ' C ' ' H ' ' B' ' 570' ' ' GLN . 1.8 t 67.19 -51.62 0.48 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.449 -0.782 . . . . 0.0 109.682 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 569' ' ' LEU . . . . . 0.516 ' CD1' ' N ' ' B' ' 569' ' ' LEU . 7.9 mp -73.15 17.2 0.13 Allowed 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.118 -0.989 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 570' ' ' GLN . . . . . 0.518 ' H ' ' C ' ' B' ' 568' ' ' SER . 66.2 tp60 -63.0 80.05 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.264 -0.898 . . . . 0.0 109.378 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 571' ' ' ASN . . . . . 0.471 ' N ' ' O ' ' B' ' 569' ' ' LEU . 19.0 m120 -74.06 107.27 6.15 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.278 -0.889 . . . . 0.0 109.372 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -170.29 -169.24 0.81 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.312 -0.868 . . . . 0.0 109.443 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 573' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -157.98 -174.99 5.1 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.274 -0.891 . . . . 0.0 109.399 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 574' ' ' LYS . . . . . . . . . . . . . 23.8 pttm -72.74 137.06 45.66 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.198 -0.939 . . . . 0.0 109.572 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 575' ' ' ILE . . . . . . . . . . . . . 19.3 pt -81.55 24.86 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.265 -0.897 . . . . 0.0 109.484 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 576' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -68.19 -64.05 0.94 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.242 -0.911 . . . . 0.0 109.438 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 577' ' ' ASN . . . . . . . . . . . . . 53.3 t30 53.43 19.91 1.82 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.261 -0.9 . . . . 0.0 109.455 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 578' ' ' GLY . . . . . . . . . . . . . . . -75.72 97.03 1.08 Allowed Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.513 -1.435 . . . . 0.0 109.513 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 579' ' ' ASN . . . . . . . . . . . . . 62.2 m-80 -75.65 -56.31 4.81 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.286 -1.126 . . . . 0.0 109.427 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 580' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 53.13 69.65 0.68 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.256 -0.902 . . . . 0.0 109.483 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 581' ' ' ASN . . . . . 0.487 ' N ' HD21 ' B' ' 581' ' ' ASN . 0.1 OUTLIER -76.26 62.08 1.72 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.309 -0.869 . . . . 0.0 109.434 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 582' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -72.17 144.0 48.71 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.273 -0.892 . . . . 0.0 109.428 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 583' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -73.99 -179.58 3.84 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.276 -0.89 . . . . 0.0 109.456 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 584' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -69.03 78.38 0.33 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.24 -0.913 . . . . 0.0 109.501 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 585' ' ' ASN . . . . . . . . . . . . . 29.6 m120 -77.58 69.8 3.88 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.23 -0.919 . . . . 0.0 109.505 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 586' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -79.19 104.18 9.64 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.275 -0.891 . . . . 0.0 109.365 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 587' ' ' VAL . . . . . . . . . . . . . 2.2 m -149.22 121.88 1.47 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.289 -0.882 . . . . 0.0 109.076 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 588' ' ' VAL . . . . . . . . . . . . . 14.2 t 50.01 67.54 4.31 Favored Pre-proline 0 N--CA 1.49 1.533 0 O-C-N 121.19 -0.944 . . . . 0.0 109.655 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 589' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -62.3 174.07 2.91 Favored 'Trans proline' 0 C--N 1.317 -1.091 0 C-N-CA 121.444 1.429 . . . . 0.0 109.748 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 590' ' ' SER . . . . . . . . . . . . . 30.5 t -160.01 32.82 0.18 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.257 -0.902 . . . . 0.0 109.445 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 591' ' ' LYS . . . . . . . . . . . . . 43.4 pttt -94.0 177.91 5.83 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.339 -0.85 . . . . 0.0 109.443 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 592' ' ' GLU . . . . . 0.454 ' OE2' ' N ' ' B' ' 593' ' ' GLY . 0.9 OUTLIER -73.78 120.54 19.52 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.259 -0.9 . . . . 0.0 109.246 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 593' ' ' GLY . . . . . 0.454 ' N ' ' OE2' ' B' ' 592' ' ' GLU . . . 166.62 110.32 0.23 Allowed Glycine 0 N--CA 1.489 2.233 0 N-CA-C 109.315 -1.514 . . . . 0.0 109.315 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 594' ' ' SER . . . . . . . . . . . . . 74.4 m -82.27 164.55 21.08 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.223 -1.163 . . . . 0.0 109.987 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 595' ' ' LEU . . . . . . . . . . . . . 5.4 tt -94.06 117.54 30.24 Favored 'General case' 0 C--N 1.299 -1.605 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 596' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -131.04 161.63 31.6 Favored 'General case' 0 N--CA 1.504 2.256 0 O-C-N 121.372 -0.83 . . . . 0.0 109.206 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 597' ' ' ARG . . . . . 0.419 ' H ' ' CB ' ' B' ' 600' ' ' GLU . 0.9 OUTLIER -109.99 -156.17 0.58 Allowed 'General case' 0 N--CA 1.504 2.228 0 CA-C-O 121.687 0.756 . . . . 0.0 111.216 -178.864 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 598' ' ' CYS . . . . . 0.53 ' O ' ' N ' ' B' ' 600' ' ' GLU . 7.1 p -59.02 -105.39 0.0 OUTLIER 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.734 -0.604 . . . . 0.0 111.777 -178.046 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 599' ' ' SER . . . . . 0.528 ' O ' ' N ' ' B' ' 602' ' ' TRP . 14.5 t -44.21 -18.12 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.853 0 CA-C-O 121.852 0.834 . . . . 0.0 109.593 -178.719 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 600' ' ' GLU . . . . . 0.53 ' N ' ' O ' ' B' ' 598' ' ' CYS . 5.4 tp10 -47.63 -38.13 14.09 Favored 'General case' 0 C--N 1.301 -1.508 0 CA-C-O 122.733 1.254 . . . . 0.0 108.108 179.182 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 601' ' ' ILE . . . . . 0.574 ' O ' ' N ' ' B' ' 604' ' ' ARG . 1.3 mp -69.47 -32.04 51.49 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.07 0 N-CA-C 107.423 -1.325 . . . . 0.0 107.423 -179.323 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 602' ' ' TRP . . . . . 0.528 ' N ' ' O ' ' B' ' 599' ' ' SER . 59.4 t-105 -45.46 -36.77 4.63 Favored 'General case' 0 N--CA 1.495 1.809 0 N-CA-C 107.228 -1.397 . . . . 0.0 107.228 179.266 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 603' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -68.12 -43.55 78.15 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 107.5 -1.296 . . . . 0.0 107.5 177.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 604' ' ' ARG . . . . . 0.574 ' N ' ' O ' ' B' ' 601' ' ' ILE . 4.7 tpp180 -55.76 -50.47 70.34 Favored 'General case' 0 N--CA 1.497 1.923 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 178.513 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 605' ' ' ILE . . . . . 0.557 ' O ' ' CD2' ' B' ' 608' ' ' HIS . 25.7 mm -46.98 -46.6 8.44 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.993 0 O-C-N 121.65 -0.656 . . . . 0.0 109.922 178.677 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 606' ' ' THR . . . . . 0.552 ' O ' ' N ' ' B' ' 608' ' ' HIS . 75.1 p -68.2 -50.4 54.48 Favored 'General case' 0 C--N 1.297 -1.682 0 O-C-N 120.618 -1.301 . . . . 0.0 110.493 -178.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 607' ' ' THR . . . . . . . . . . . . . 45.5 p -46.54 -2.17 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.873 0 N-CA-C 113.672 0.99 . . . . 0.0 113.672 -177.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 608' ' ' HIS . . . . . 0.6 ' O ' ' ND1' ' B' ' 608' ' ' HIS . 32.9 p80 -125.27 98.63 35.11 Favored Pre-proline 0 N--CA 1.511 2.578 0 O-C-N 120.408 -1.433 . . . . 0.0 110.526 179.429 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 609' ' ' PRO . . . . . . . . . . . . . 7.0 Cg_exo -60.07 6.71 0.1 Allowed 'Trans proline' 0 N--CA 1.482 0.82 0 C-N-CA 121.647 1.564 . . . . 0.0 110.421 178.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 610' ' ' LYS . . . . . 0.562 ' H ' ' C ' ' B' ' 608' ' ' HIS . 79.0 tttt -72.34 -93.58 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.44 0 O-C-N 120.928 -1.107 . . . . 0.0 109.766 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 611' ' ' TYR . . . . . 0.428 ' O ' ' O ' ' B' ' 610' ' ' LYS . 0.1 OUTLIER 62.27 148.85 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.685 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 -179.478 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 612' ' ' SER . . . . . . . . . . . . . 6.1 p -176.77 -64.85 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.792 -1.192 . . . . 0.0 109.067 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 613' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -151.64 69.26 0.92 Allowed 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.331 -0.856 . . . . 0.0 109.233 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 614' ' ' ILE . . . . . . . . . . . . . 77.3 mt -101.08 165.72 2.55 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.793 0 O-C-N 121.362 -0.836 . . . . 0.0 109.445 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 615' ' ' ASP . . . . . 0.459 ' OD1' ' N ' ' B' ' 615' ' ' ASP . 30.6 p-10 -119.9 117.52 28.33 Favored 'General case' 0 N--CA 1.495 1.8 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 179.364 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 616' ' ' VAL . . . . . . . . . . . . . 27.7 m -77.95 -16.79 14.02 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.389 -0.819 . . . . 0.0 108.988 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 617' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -75.07 -36.47 61.77 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.381 -0.824 . . . . 0.0 109.592 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 618' ' ' GLY . . . . . . . . . . . . . . . -67.27 -36.86 90.33 Favored Glycine 0 N--CA 1.488 2.162 0 N-CA-C 109.667 -1.373 . . . . 0.0 109.667 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 619' ' ' LEU . . . . . . . . . . . . . 3.5 mt -65.53 -29.34 69.96 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.016 -1.285 . . . . 0.0 108.109 179.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 620' ' ' CYS . . . . . . . . . . . . . 49.2 t -64.86 -52.72 55.09 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.599 -0.688 . . . . 0.0 110.702 -179.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 35.2 t -81.54 -2.78 51.2 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 120.433 -1.417 . . . . 0.0 110.123 -179.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 622' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -100.44 -43.29 6.27 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.134 -0.979 . . . . 0.0 109.273 178.235 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 623' ' ' LEU . . . . . . . . . . . . . 10.0 mp -87.51 -19.48 27.87 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 120.55 -1.344 . . . . 0.0 110.02 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 624' ' ' MET . . . . . 0.457 ' SD ' ' C ' ' B' ' 624' ' ' MET . 0.8 OUTLIER -75.84 -27.87 58.01 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 120.775 -1.203 . . . . 0.0 111.643 -178.043 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 625' ' ' ALA . . . . . . . . . . . . . . . -101.89 -5.1 25.15 Favored 'General case' 0 N--CA 1.506 2.371 0 O-C-N 120.631 -1.293 . . . . 0.0 109.184 179.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 626' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -95.65 -12.39 25.64 Favored 'General case' 0 N--CA 1.493 1.716 0 N-CA-C 105.451 -2.055 . . . . 0.0 105.451 175.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 627' ' ' ALA . . . . . . . . . . . . . . . -48.65 145.05 3.87 Favored 'General case' 0 N--CA 1.492 1.635 0 CA-C-N 115.318 -0.855 . . . . 0.0 111.082 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 628' ' ' LYS . . . . . . . . . . . . . 44.4 mtpt -126.02 89.22 2.98 Favored 'General case' 0 N--CA 1.497 1.9 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 179.052 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 629' ' ' CYS . . . . . . . . . . . . . 18.2 t -49.28 120.7 4.24 Favored 'General case' 0 N--CA 1.494 1.734 0 CA-C-O 122.309 1.052 . . . . 0.0 111.376 -178.326 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 630' ' ' SER . . . . . . . . . . . . . 31.1 m -143.28 161.31 38.63 Favored 'General case' 0 N--CA 1.495 1.781 0 N-CA-C 107.861 -1.162 . . . . 0.0 107.861 178.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 631' ' ' GLU . . . . . 0.55 ' C ' ' H ' ' B' ' 633' ' ' GLY . 43.3 mm-40 -62.23 -24.61 67.35 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.477 -1.39 . . . . 0.0 109.0 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 56.6 mtp180 -80.39 33.25 0.29 Allowed 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 107.363 -1.347 . . . . 0.0 107.363 177.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 633' ' ' GLY . . . . . 0.55 ' H ' ' C ' ' B' ' 631' ' ' GLU . . . 71.14 -170.55 47.38 Favored Glycine 0 N--CA 1.488 2.149 0 N-CA-C 107.731 -2.148 . . . . 0.0 107.731 -178.441 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 634' ' ' VAL . . . . . . . . . . . . . 7.5 p -73.88 139.04 20.0 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.451 0 O-C-N 120.601 -1.529 . . . . 0.0 109.276 179.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 26.0 m -133.25 136.13 55.45 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.13 0 O-C-N 121.175 -0.953 . . . . 0.0 109.669 179.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 636' ' ' ILE . . . . . . . . . . . . . 96.3 mt -134.97 154.74 37.0 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.847 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 637' ' ' ASN . . . . . 0.54 HD21 ' N ' ' B' ' 637' ' ' ASN . 0.9 OUTLIER -81.56 132.38 35.31 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.099 -1.001 . . . . 0.0 110.122 -179.803 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -52.38 -10.57 0.15 Allowed 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.653 -0.655 . . . . 0.0 110.309 179.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 639' ' ' GLU . . . . . 0.42 ' H ' ' C ' ' B' ' 637' ' ' ASN . 32.3 tt0 -77.72 -19.76 54.69 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.837 -1.164 . . . . 0.0 109.526 179.631 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 640' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -88.65 -37.09 15.86 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 120.596 -1.315 . . . . 0.0 108.674 177.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 641' ' ' VAL . . . . . . . . . . . . . 2.1 m -76.0 -27.31 18.07 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.745 0 O-C-N 121.079 -1.013 . . . . 0.0 109.059 179.001 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 642' ' ' GLN . . . . . . . . . . . . . 9.4 tm0? -76.9 -33.51 57.78 Favored 'General case' 0 N--CA 1.491 1.625 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 178.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 643' ' ' LEU . . . . . . . . . . . . . 90.0 mt -85.33 -21.76 28.79 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.233 -0.917 . . . . 0.0 108.679 178.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 644' ' ' ALA . . . . . . . . . . . . . . . -85.65 -28.06 24.99 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.97 -1.081 . . . . 0.0 108.284 178.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 645' ' ' LEU . . . . . . . . . . . . . 66.0 mt -87.59 -23.33 24.34 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.444 -0.785 . . . . 0.0 109.455 179.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 646' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -94.1 -13.24 27.02 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.984 -1.073 . . . . 0.0 110.846 -179.088 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 647' ' ' LYS . . . . . . . . . . . . . 18.5 ptmt -91.37 -9.33 45.21 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 120.654 -1.279 . . . . 0.0 109.906 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 648' ' ' HIS . . . . . . . . . . . . . 40.2 m-70 -111.76 18.13 19.22 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.453 -0.779 . . . . 0.0 109.479 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 649' ' ' MET . . . . . . . . . . . . . 40.3 tpp -96.15 99.7 11.42 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.209 -0.932 . . . . 0.0 109.386 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 650' ' ' ASN . . . . . . . . . . . . . 12.9 m120 . . . . . 0 N--CA 1.491 1.609 0 CA-C-O 118.024 -0.989 . . . . 0.0 109.432 179.933 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 279' ' ' ASN . . . . . 0.495 ' C ' ' H ' ' A' ' 281' ' ' ASP . 17.9 m120 . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . 14.3 mt -74.87 21.44 0.11 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.307 -0.871 . . . . 0.0 109.444 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 281' ' ' ASP . . . . . 0.495 ' H ' ' C ' ' A' ' 279' ' ' ASN . 19.2 t70 -66.3 -0.85 2.85 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.235 -0.916 . . . . 0.0 109.411 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 282' ' ' SER . . . . . 0.426 ' O ' ' O ' ' A' ' 281' ' ' ASP . 11.3 m 53.05 175.57 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.236 -0.915 . . . . 0.0 109.453 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 283' ' ' ASN . . . . . 0.52 ' OD1' ' N ' ' A' ' 284' ' ' MET . 21.4 p30 -77.62 -144.46 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.271 -0.893 . . . . 0.0 109.53 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 284' ' ' MET . . . . . 0.52 ' N ' ' OD1' ' A' ' 283' ' ' ASN . 64.0 mtm -151.55 131.26 13.16 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.247 -0.908 . . . . 0.0 109.261 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 285' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -76.96 138.03 39.41 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.269 -0.894 . . . . 0.0 109.435 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 286' ' ' SER . . . . . . . . . . . . . 96.8 p -78.17 166.04 23.22 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.338 -0.851 . . . . 0.0 109.535 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 287' ' ' ASN . . . . . 0.404 ' C ' HD21 ' A' ' 287' ' ' ASN . 0.6 OUTLIER -72.55 85.48 1.16 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.287 -0.883 . . . . 0.0 109.199 179.726 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 288' ' ' ASP . . . . . 0.401 ' OD2' ' OE1' ' A' ' 294' ' ' GLN . 15.9 p-10 -76.86 -160.09 0.15 Allowed 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.251 -0.905 . . . . 0.0 109.364 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 289' ' ' PHE . . . . . . . . . . . . . 42.1 p90 -165.47 27.03 0.05 Allowed 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.215 -0.928 . . . . 0.0 109.449 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 290' ' ' ASN . . . . . . . . . . . . . 45.9 p-10 -163.68 -142.39 0.06 Allowed 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.219 -0.926 . . . . 0.0 109.41 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 291' ' ' PHE . . . . . . . . . . . . . 24.0 p90 -170.34 22.65 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.221 -0.925 . . . . 0.0 109.481 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 292' ' ' GLU . . . . . . . . . . . . . 72.1 mt-10 -67.82 -29.24 68.35 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.243 -0.911 . . . . 0.0 109.432 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 293' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -168.59 -73.82 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.21 -0.931 . . . . 0.0 109.437 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 294' ' ' GLN . . . . . 0.401 ' OE1' ' OD2' ' A' ' 288' ' ' ASP . 53.3 tt0 51.06 74.75 0.22 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.177 -0.952 . . . . 0.0 109.383 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 295' ' ' PHE . . . . . 0.521 ' CD2' ' O ' ' A' ' 295' ' ' PHE . 70.6 t80 -81.27 44.54 0.79 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.166 -0.959 . . . . 0.0 109.361 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . 12.0 t70 55.47 76.65 0.26 Allowed 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.303 -0.873 . . . . 0.0 109.395 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 297' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -141.12 -172.22 3.44 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.295 -0.878 . . . . 0.0 109.099 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 298' ' ' GLN . . . . . . . . . . . . . 35.0 mm-40 -81.65 -48.88 11.16 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.152 -0.968 . . . . 0.0 109.639 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 299' ' ' VAL . . . . . 0.555 ' O ' ' OG ' ' A' ' 300' ' ' SER . 48.8 t -132.06 -83.88 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.499 2.001 0 O-C-N 121.371 -0.83 . . . . 0.0 109.482 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 300' ' ' SER . . . . . 0.555 ' OG ' ' O ' ' A' ' 299' ' ' VAL . 3.3 m 156.18 -109.61 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.307 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 179.622 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 301' ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 -61.1 -24.48 66.28 Favored 'General case' 0 C--N 1.306 -1.294 0 N-CA-C 108.423 -0.955 . . . . 0.0 108.423 179.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 302' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -67.72 -58.46 4.6 Favored 'General case' 0 C--N 1.306 -1.291 0 C-N-CA 119.093 -1.043 . . . . 0.0 109.376 -178.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 303' ' ' CYS . . . . . 0.507 ' SG ' ' OG ' ' B' ' 599' ' ' SER . 58.3 m -79.29 -51.6 9.23 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.253 -0.904 . . . . 0.0 110.117 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 19.2 t -48.26 -26.77 2.12 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.35 -0.844 . . . . 0.0 111.076 -178.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . 24.3 mtpp -102.09 -13.89 17.32 Favored 'General case' 0 N--CA 1.502 2.166 0 O-C-N 120.873 -1.142 . . . . 0.0 108.972 178.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 306' ' ' MET . . . . . . . . . . . . . 5.7 tpp -72.4 -27.07 62.13 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 120.55 -1.344 . . . . 0.0 107.507 177.029 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 307' ' ' ASN . . . . . 0.486 ' O ' ' N ' ' A' ' 310' ' ' CYS . 1.2 p-10 -86.42 -38.15 17.64 Favored 'General case' 0 N--CA 1.498 1.944 0 N-CA-C 106.734 -1.58 . . . . 0.0 106.734 178.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 308' ' ' GLN . . . . . 0.524 ' O ' ' N ' ' A' ' 311' ' ' GLY . 9.0 tp-100 -37.36 -41.16 0.4 Allowed 'General case' 0 N--CA 1.503 2.224 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 178.735 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 309' ' ' VAL . . . . . . . . . . . . . 15.1 t -46.73 -16.74 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.961 0 CA-C-O 122.081 0.944 . . . . 0.0 109.05 179.155 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 310' ' ' CYS . . . . . 0.515 ' N ' ' O ' ' A' ' 308' ' ' GLN . 54.5 m -93.1 -20.61 20.35 Favored 'General case' 0 C--N 1.303 -1.414 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.907 -179.162 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 311' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' A' ' 308' ' ' GLN . . . -79.35 144.5 27.07 Favored Glycine 0 N--CA 1.491 2.338 0 N-CA-C 109.462 -1.455 . . . . 0.0 109.462 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 312' ' ' THR . . . . . . . . . . . . . 70.8 p -77.72 108.66 11.09 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.234 -1.156 . . . . 0.0 109.509 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 313' ' ' ARG . . . . . . . . . . . . . 11.8 tpp180 . . . . . 0 N--CA 1.49 1.525 0 CA-C-O 117.993 -1.003 . . . . 0.0 109.406 179.861 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 565' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 . . . . . 0 N--CA 1.49 1.541 0 CA-C-O 121.347 0.594 . . . . 0.0 109.487 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 566' ' ' GLY . . . . . . . . . . . . . . . -177.79 149.38 9.22 Favored Glycine 0 N--CA 1.49 2.29 0 N-CA-C 109.53 -1.428 . . . . 0.0 109.53 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 567' ' ' SER . . . . . . . . . . . . . 40.7 t -63.02 122.48 16.15 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.262 -1.14 . . . . 0.0 109.43 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 568' ' ' SER . . . . . . . . . . . . . 29.6 t -169.46 -93.99 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.222 -0.924 . . . . 0.0 109.544 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 569' ' ' LEU . . . . . 0.441 ' O ' ' C ' ' B' ' 570' ' ' GLN . 26.8 mt 52.98 60.95 3.43 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.28 -0.888 . . . . 0.0 109.427 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 570' ' ' GLN . . . . . 0.441 ' C ' ' O ' ' B' ' 569' ' ' LEU . 11.6 pt20 32.28 -113.65 0.05 OUTLIER 'General case' 0 N--CA 1.503 2.214 0 CA-C-O 121.206 0.527 . . . . 0.0 110.899 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 571' ' ' ASN . . . . . . . . . . . . . 14.7 p30 -165.5 -32.39 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.194 -0.941 . . . . 0.0 109.389 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -169.15 -164.85 0.49 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.321 -0.862 . . . . 0.0 109.46 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 573' ' ' ASP . . . . . 0.434 ' O ' ' O ' ' B' ' 574' ' ' LYS . 37.0 t70 -71.37 136.91 48.01 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.294 -0.879 . . . . 0.0 109.408 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 574' ' ' LYS . . . . . 0.434 ' O ' ' O ' ' B' ' 573' ' ' ASP . 0.0 OUTLIER -54.76 -170.52 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.277 -0.889 . . . . 0.0 109.48 -179.872 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 575' ' ' ILE . . . . . . . . . . . . . 82.0 mt -133.58 -77.16 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.964 0 O-C-N 121.452 -0.78 . . . . 0.0 109.347 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 576' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -158.3 -84.89 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.224 -0.922 . . . . 0.0 109.422 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 577' ' ' ASN . . . . . . . . . . . . . 8.4 m120 51.38 -174.94 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.296 -0.877 . . . . 0.0 109.464 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 578' ' ' GLY . . . . . . . . . . . . . . . -178.05 -165.24 32.58 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 109.548 -1.421 . . . . 0.0 109.548 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 579' ' ' ASN . . . . . . . . . . . . . 53.0 m-20 51.91 44.16 29.64 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.239 -1.154 . . . . 0.0 109.477 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 580' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -61.8 -21.93 65.02 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.236 -0.915 . . . . 0.0 109.416 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 581' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -169.32 36.32 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.29 -0.881 . . . . 0.0 109.508 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 582' ' ' ASP . . . . . . . . . . . . . 25.2 t70 52.73 41.25 31.46 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.194 -0.941 . . . . 0.0 109.548 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 583' ' ' ASN . . . . . 0.496 ' ND2' ' H ' ' B' ' 584' ' ' ASP . 7.9 t-20 -169.96 174.65 5.46 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.147 -0.97 . . . . 0.0 109.462 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 584' ' ' ASP . . . . . 0.496 ' H ' ' ND2' ' B' ' 583' ' ' ASN . 16.8 p-10 -72.74 -157.98 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.164 -0.96 . . . . 0.0 109.501 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 585' ' ' ASN . . . . . . . . . . . . . 63.8 m-20 -63.06 -156.89 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.295 -0.878 . . . . 0.0 109.436 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 586' ' ' ASP . . . . . 0.443 ' C ' ' H ' ' B' ' 588' ' ' VAL . 61.2 m-20 -61.22 132.17 52.79 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.215 -0.928 . . . . 0.0 109.422 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 587' ' ' VAL . . . . . 0.458 ' O ' ' C ' ' B' ' 588' ' ' VAL . 2.7 t -77.75 11.84 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.134 -0.979 . . . . 0.0 109.211 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 588' ' ' VAL . . . . . 0.458 ' C ' ' O ' ' B' ' 587' ' ' VAL . 8.3 m 30.89 65.13 0.95 Allowed Pre-proline 0 N--CA 1.504 2.246 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.182 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 589' ' ' PRO . . . . . 0.422 ' O ' ' OG ' ' B' ' 590' ' ' SER . 3.6 Cg_exo -60.45 98.48 0.13 Allowed 'Trans proline' 0 C--N 1.318 -1.077 0 C-N-CA 121.388 1.392 . . . . 0.0 109.868 -179.769 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 590' ' ' SER . . . . . 0.422 ' OG ' ' O ' ' B' ' 589' ' ' PRO . 58.8 m -168.92 32.55 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.199 -0.938 . . . . 0.0 109.536 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 591' ' ' LYS . . . . . 0.428 ' O ' ' O ' ' B' ' 592' ' ' GLU . 59.6 tttp -91.53 -25.1 19.41 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.209 -0.932 . . . . 0.0 109.291 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 592' ' ' GLU . . . . . 0.428 ' O ' ' O ' ' B' ' 591' ' ' LYS . 29.1 tp10 44.32 94.17 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.736 -0.603 . . . . 0.0 110.102 179.699 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 593' ' ' GLY . . . . . . . . . . . . . . . -67.28 -143.89 0.08 OUTLIER Glycine 0 N--CA 1.488 2.148 0 N-CA-C 108.976 -1.65 . . . . 0.0 108.976 179.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 594' ' ' SER . . . . . . . . . . . . . 69.6 m -108.77 164.51 12.32 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.444 -1.033 . . . . 0.0 110.0 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 595' ' ' LEU . . . . . 0.521 ' CD1' ' N ' ' B' ' 595' ' ' LEU . 8.4 mp -94.28 117.99 30.92 Favored 'General case' 0 C--N 1.3 -1.565 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 596' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -128.93 146.67 50.89 Favored 'General case' 0 N--CA 1.505 2.279 0 O-C-N 121.343 -0.848 . . . . 0.0 108.85 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 597' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -86.67 -164.99 1.15 Allowed 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.259 -0.9 . . . . 0.0 109.858 -179.405 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 598' ' ' CYS . . . . . 0.493 ' O ' ' N ' ' B' ' 600' ' ' GLU . 5.2 p -67.93 -88.38 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.3 -0.875 . . . . 0.0 111.142 -178.436 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 599' ' ' SER . . . . . 0.507 ' OG ' ' SG ' ' A' ' 303' ' ' CYS . 1.4 m -44.69 -21.35 0.05 Allowed 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.042 -1.036 . . . . 0.0 109.206 -179.432 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 600' ' ' GLU . . . . . 0.493 ' N ' ' O ' ' B' ' 598' ' ' CYS . 5.0 tp10 -46.63 -39.92 12.12 Favored 'General case' 0 C--N 1.299 -1.605 0 CA-C-O 122.332 1.063 . . . . 0.0 108.633 179.354 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 601' ' ' ILE . . . . . 0.558 ' O ' ' N ' ' B' ' 604' ' ' ARG . 1.4 mp -69.89 -32.0 50.14 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.065 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 -178.54 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 602' ' ' TRP . . . . . 0.461 ' N ' ' O ' ' B' ' 599' ' ' SER . 17.7 t-105 -45.23 -38.15 5.22 Favored 'General case' 0 N--CA 1.493 1.698 0 N-CA-C 107.452 -1.314 . . . . 0.0 107.452 179.399 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 603' ' ' ASP . . . . . 0.432 ' O ' ' OG1' ' B' ' 606' ' ' THR . 39.9 t0 -68.07 -43.22 79.06 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 107.637 -1.246 . . . . 0.0 107.637 177.394 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 604' ' ' ARG . . . . . 0.558 ' N ' ' O ' ' B' ' 601' ' ' ILE . 25.4 mmt180 -55.4 -31.41 61.81 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.115 -0.991 . . . . 0.0 108.676 178.651 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 605' ' ' ILE . . . . . 0.401 ' O ' ' C ' ' B' ' 606' ' ' THR . 51.9 mt -80.76 -45.83 21.29 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.93 0 O-C-N 121.532 -0.73 . . . . 0.0 110.416 179.642 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 606' ' ' THR . . . . . 0.432 ' OG1' ' O ' ' B' ' 603' ' ' ASP . 16.4 p -42.89 -36.9 1.66 Allowed 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.28 -0.887 . . . . 0.0 110.189 -179.032 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 607' ' ' THR . . . . . . . . . . . . . 68.8 p -47.04 -48.94 22.03 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.212 -0.93 . . . . 0.0 109.76 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 608' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -67.38 147.72 98.81 Favored Pre-proline 0 N--CA 1.491 1.624 0 O-C-N 121.174 -0.954 . . . . 0.0 109.038 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 609' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_endo -62.09 -50.86 4.28 Favored 'Trans proline' 0 C--N 1.325 -0.688 0 C-N-CA 120.984 1.123 . . . . 0.0 109.851 179.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 610' ' ' LYS . . . . . 0.472 ' CB ' ' NZ ' ' B' ' 610' ' ' LYS . 6.1 ttpm? -142.96 119.74 11.2 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.253 -0.905 . . . . 0.0 109.447 -179.754 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 611' ' ' TYR . . . . . 0.524 ' O ' ' CD2' ' B' ' 611' ' ' TYR . 20.7 p90 -101.25 105.86 17.01 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.429 -0.795 . . . . 0.0 109.745 -179.766 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 612' ' ' SER . . . . . . . . . . . . . 95.4 p -136.43 -59.61 0.72 Allowed 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.333 -0.854 . . . . 0.0 110.098 -179.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 613' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -74.61 65.06 1.26 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.083 -1.011 . . . . 0.0 110.19 -179.343 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 614' ' ' ILE . . . . . . . . . . . . . 5.0 mt -144.6 2.77 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.932 0 O-C-N 121.131 -0.981 . . . . 0.0 109.295 179.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 615' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 57.59 90.64 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.915 -1.116 . . . . 0.0 109.071 -179.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 616' ' ' VAL . . . . . . . . . . . . . 47.0 t -78.36 -16.74 13.77 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 CA-C-O 121.755 0.788 . . . . 0.0 108.94 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 617' ' ' ASP . . . . . 0.518 ' O ' ' SG ' ' B' ' 620' ' ' CYS . 1.4 m-20 -74.61 -32.72 62.42 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.427 -0.795 . . . . 0.0 109.301 179.516 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 618' ' ' GLY . . . . . 0.423 ' O ' ' OE1' ' B' ' 622' ' ' GLU . . . -68.68 -34.52 78.46 Favored Glycine 0 N--CA 1.49 2.233 0 N-CA-C 109.672 -1.371 . . . . 0.0 109.672 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 619' ' ' LEU . . . . . . . . . . . . . 1.9 mt -68.17 -28.98 67.75 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.025 -1.28 . . . . 0.0 108.547 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 620' ' ' CYS . . . . . 0.581 ' SG ' ' N ' ' B' ' 621' ' ' SER . 1.5 p -65.99 -47.56 74.14 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.236 -0.915 . . . . 0.0 110.479 -179.65 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 621' ' ' SER . . . . . 0.581 ' N ' ' SG ' ' B' ' 620' ' ' CYS . 34.9 t -83.01 -2.12 54.43 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 120.489 -1.382 . . . . 0.0 110.423 -179.344 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 622' ' ' GLU . . . . . 0.492 ' OE2' ' CE1' ' B' ' 648' ' ' HIS . 34.0 mt-10 -99.78 -43.99 6.24 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.007 -1.058 . . . . 0.0 109.135 177.718 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 623' ' ' LEU . . . . . . . . . . . . . 8.3 mp -86.43 -20.76 27.7 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 120.994 -1.066 . . . . 0.0 110.277 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 624' ' ' MET . . . . . . . . . . . . . 10.3 ttt -72.33 -28.76 63.26 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 120.845 -1.159 . . . . 0.0 111.818 -178.153 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 625' ' ' ALA . . . . . . . . . . . . . . . -105.32 -4.74 21.19 Favored 'General case' 0 N--CA 1.505 2.322 0 O-C-N 120.694 -1.254 . . . . 0.0 109.632 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 626' ' ' LYS . . . . . . . . . . . . . 53.7 mmtt -91.29 -13.72 32.14 Favored 'General case' 0 N--CA 1.492 1.636 0 N-CA-C 106.336 -1.727 . . . . 0.0 106.336 176.358 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 627' ' ' ALA . . . . . . . . . . . . . . . -45.15 136.18 5.16 Favored 'General case' 0 N--CA 1.491 1.618 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.171 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 628' ' ' LYS . . . . . 0.507 ' HZ3' ' CB ' ' B' ' 628' ' ' LYS . 5.2 mtpm? -113.52 92.05 3.86 Favored 'General case' 0 N--CA 1.498 1.968 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 178.362 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 629' ' ' CYS . . . . . . . . . . . . . 81.6 m -53.53 119.41 4.83 Favored 'General case' 0 N--CA 1.493 1.694 0 CA-C-O 122.459 1.123 . . . . 0.0 111.829 -177.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 630' ' ' SER . . . . . 0.427 ' HG ' ' N ' ' B' ' 631' ' ' GLU . 48.2 t -142.88 160.06 41.05 Favored 'General case' 0 N--CA 1.493 1.72 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 178.316 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 631' ' ' GLU . . . . . 0.559 ' C ' ' H ' ' B' ' 633' ' ' GLY . 40.8 mt-10 -64.28 -22.46 66.96 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.34 -1.475 . . . . 0.0 109.365 -179.686 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 632' ' ' ARG . . . . . 0.525 ' CG ' HH11 ' B' ' 632' ' ' ARG . 0.3 OUTLIER -79.47 33.68 0.25 Allowed 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 107.572 -1.27 . . . . 0.0 107.572 178.125 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 633' ' ' GLY . . . . . 0.559 ' H ' ' C ' ' B' ' 631' ' ' GLU . . . 73.1 -170.67 51.82 Favored Glycine 0 N--CA 1.49 2.285 0 N-CA-C 107.531 -2.227 . . . . 0.0 107.531 -178.489 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 634' ' ' VAL . . . . . . . . . . . . . 7.1 p -77.32 141.16 15.96 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.43 0 O-C-N 120.423 -1.634 . . . . 0.0 109.631 179.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 33.6 m -135.87 140.34 44.36 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.965 0 O-C-N 121.23 -0.919 . . . . 0.0 109.24 179.116 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 636' ' ' ILE . . . . . . . . . . . . . 95.8 mt -133.75 154.67 38.86 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.893 0 O-C-N 121.439 -0.788 . . . . 0.0 109.209 -179.383 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 637' ' ' ASN . . . . . 0.522 ' O ' ' N ' ' B' ' 639' ' ' GLU . 0.7 OUTLIER -85.84 129.47 34.82 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.095 -1.003 . . . . 0.0 109.819 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 638' ' ' ALA . . . . . 0.52 ' C ' HE21 ' B' ' 642' ' ' GLN . . . -46.83 -10.64 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.759 -0.588 . . . . 0.0 110.827 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 639' ' ' GLU . . . . . 0.522 ' N ' ' O ' ' B' ' 637' ' ' ASN . 34.3 tt0 -78.27 -18.54 55.16 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.887 -1.133 . . . . 0.0 110.089 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 640' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -86.54 -50.92 6.49 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 120.359 -1.463 . . . . 0.0 108.724 178.066 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 641' ' ' VAL . . . . . 0.408 HG11 ' H ' ' B' ' 642' ' ' GLN . 0.8 OUTLIER -60.82 -46.66 95.81 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 120.851 -1.156 . . . . 0.0 108.578 178.671 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 642' ' ' GLN . . . . . 0.52 HE21 ' C ' ' B' ' 638' ' ' ALA . 33.4 mt-30 -57.98 -36.41 72.58 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.0 -1.063 . . . . 0.0 109.52 -179.758 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 643' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -83.5 -20.3 34.21 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.17 -0.957 . . . . 0.0 108.65 178.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 644' ' ' ALA . . . . . . . . . . . . . . . -87.54 -33.14 19.04 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.905 -1.122 . . . . 0.0 108.913 178.385 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 645' ' ' LEU . . . . . 0.534 ' O ' ' N ' ' B' ' 647' ' ' LYS . 34.7 mt -84.72 -69.54 0.64 Allowed 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.156 -0.965 . . . . 0.0 109.185 179.317 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 646' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -45.9 -14.23 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.215 -0.928 . . . . 0.0 110.367 -179.182 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 647' ' ' LYS . . . . . 0.534 ' N ' ' O ' ' B' ' 645' ' ' LEU . 79.0 tttt -97.4 -9.82 26.64 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.003 -1.061 . . . . 0.0 109.709 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 648' ' ' HIS . . . . . 0.523 ' HD1' ' C ' ' B' ' 647' ' ' LYS . 0.3 OUTLIER -111.25 12.77 21.74 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.422 -0.799 . . . . 0.0 109.49 -179.888 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 649' ' ' MET . . . . . . . . . . . . . 36.9 tpp -96.92 133.57 41.38 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.189 -0.945 . . . . 0.0 109.447 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 650' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 . . . . . 0 N--CA 1.49 1.555 0 CA-C-O 118.057 -0.973 . . . . 0.0 109.47 179.968 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 279' ' ' ASN . . . . . . . . . . . . . 70.6 m-20 . . . . . 0 N--CA 1.49 1.559 0 CA-C-O 121.302 0.573 . . . . 0.0 109.471 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 280' ' ' LEU . . . . . 0.502 ' CD1' ' N ' ' A' ' 280' ' ' LEU . 8.4 mp -64.18 87.33 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.2 -0.937 . . . . 0.0 109.23 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 281' ' ' ASP . . . . . 0.422 ' OD2' ' N ' ' A' ' 282' ' ' SER . 5.6 p-10 -171.41 -117.0 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.262 -0.899 . . . . 0.0 109.504 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 282' ' ' SER . . . . . 0.422 ' N ' ' OD2' ' A' ' 281' ' ' ASP . 5.1 p 61.73 149.33 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.354 -0.841 . . . . 0.0 109.447 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 283' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 -66.24 103.96 1.1 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.282 -0.886 . . . . 0.0 109.429 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 284' ' ' MET . . . . . . . . . . . . . 28.1 ttt -70.13 -73.38 0.17 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.289 -0.882 . . . . 0.0 109.408 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 285' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -69.67 120.26 15.17 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.209 -0.932 . . . . 0.0 109.364 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 286' ' ' SER . . . . . . . . . . . . . 48.8 m -68.47 132.57 47.21 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.197 -0.94 . . . . 0.0 109.423 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 287' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -64.57 128.81 37.38 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.314 -0.866 . . . . 0.0 109.459 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 288' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -169.71 -53.49 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.234 -0.916 . . . . 0.0 109.399 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 289' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -169.32 79.23 0.12 Allowed 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.236 -0.915 . . . . 0.0 109.438 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 290' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -73.71 -123.18 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.256 -0.903 . . . . 0.0 109.309 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 291' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 51.43 33.45 10.22 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.168 -0.958 . . . . 0.0 109.559 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 292' ' ' GLU . . . . . 0.431 ' O ' ' O ' ' A' ' 293' ' ' ASN . 4.6 tm-20 -169.9 -35.96 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.223 -0.923 . . . . 0.0 109.203 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 293' ' ' ASN . . . . . 0.431 ' O ' ' O ' ' A' ' 292' ' ' GLU . 4.8 m-20 59.89 117.04 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.408 -0.807 . . . . 0.0 109.627 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 294' ' ' GLN . . . . . 0.525 ' NE2' ' O ' ' A' ' 295' ' ' PHE . 0.1 OUTLIER -166.72 134.81 2.7 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.265 -0.897 . . . . 0.0 109.29 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 295' ' ' PHE . . . . . 0.525 ' O ' ' NE2' ' A' ' 294' ' ' GLN . 52.0 t80 -48.28 135.32 13.71 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.242 -0.911 . . . . 0.0 109.647 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 296' ' ' ASP . . . . . 0.418 ' OD2' ' O ' ' A' ' 294' ' ' GLN . 37.6 m-20 -158.97 -89.98 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.124 -0.985 . . . . 0.0 109.498 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 297' ' ' GLU . . . . . 0.401 ' O ' ' O ' ' A' ' 296' ' ' ASP . 34.4 mt-10 55.32 171.68 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.261 -0.899 . . . . 0.0 109.563 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 298' ' ' GLN . . . . . 0.528 ' H ' ' CD ' ' A' ' 298' ' ' GLN . 0.1 OUTLIER -104.91 -7.29 19.43 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.476 -0.765 . . . . 0.0 109.453 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 299' ' ' VAL . . . . . 0.416 ' CG2' ' O ' ' A' ' 299' ' ' VAL . 2.0 p -85.04 68.79 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 CA-C-O 122.007 0.908 . . . . 0.0 109.042 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 300' ' ' SER . . . . . 0.532 ' O ' ' N ' ' A' ' 304' ' ' SER . 6.4 t -136.66 -127.37 0.14 Allowed 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.642 -0.661 . . . . 0.0 109.962 -178.231 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 301' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -45.34 -31.79 1.77 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.426 -0.796 . . . . 0.0 109.317 179.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 302' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -65.02 -58.73 5.34 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.279 -0.888 . . . . 0.0 109.512 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 303' ' ' CYS . . . . . . . . . . . . . 60.9 m -84.75 -42.87 14.79 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.348 -0.845 . . . . 0.0 110.396 -179.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 304' ' ' SER . . . . . 0.532 ' N ' ' O ' ' A' ' 300' ' ' SER . 40.2 t -54.2 -25.13 21.19 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.22 -0.925 . . . . 0.0 110.0 -179.413 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . 9.7 tmtt? -97.09 -22.18 16.93 Favored 'General case' 0 N--CA 1.5 2.068 0 N-CA-C 107.046 -1.464 . . . . 0.0 107.046 178.22 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 306' ' ' MET . . . . . . . . . . . . . 15.3 ttt -70.45 -19.61 62.95 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 106.941 -1.503 . . . . 0.0 106.941 176.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 307' ' ' ASN . . . . . 0.437 ' O ' ' C ' ' A' ' 308' ' ' GLN . 87.9 m-20 -82.96 -38.29 22.94 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 106.076 -1.824 . . . . 0.0 106.076 178.339 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 308' ' ' GLN . . . . . 0.534 ' O ' ' N ' ' A' ' 310' ' ' CYS . 6.5 tp-100 -36.99 -41.41 0.34 Allowed 'General case' 0 N--CA 1.507 2.415 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 178.605 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 309' ' ' VAL . . . . . . . . . . . . . 10.3 m -43.03 -20.36 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.501 2.122 0 CA-C-O 122.055 0.931 . . . . 0.0 109.104 178.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 310' ' ' CYS . . . . . 0.534 ' N ' ' O ' ' A' ' 308' ' ' GLN . 67.9 m -102.02 -31.67 10.54 Favored 'General case' 0 N--CA 1.488 1.466 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.564 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 311' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 308' ' ' GLN . . . -74.5 117.46 5.51 Favored Glycine 0 N--CA 1.492 2.394 0 N-CA-C 109.695 -1.362 . . . . 0.0 109.695 -179.816 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 312' ' ' THR . . . . . . . . . . . . . 76.9 p -96.9 121.02 38.31 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.275 -1.132 . . . . 0.0 109.343 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 313' ' ' ARG . . . . . 0.571 HH11 ' CG ' ' A' ' 313' ' ' ARG . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.611 0 CA-C-O 117.97 -1.014 . . . . 0.0 109.476 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 565' ' ' ASN . . . . . 0.437 ' C ' ' H ' ' B' ' 567' ' ' SER . 35.2 m120 . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 566' ' ' GLY . . . . . . . . . . . . . . . -69.84 45.54 0.55 Allowed Glycine 0 N--CA 1.49 2.264 0 N-CA-C 109.546 -1.421 . . . . 0.0 109.546 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 567' ' ' SER . . . . . 0.437 ' H ' ' C ' ' B' ' 565' ' ' ASN . 52.5 m -64.26 -49.28 72.5 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.255 -1.144 . . . . 0.0 109.507 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 568' ' ' SER . . . . . 0.403 ' O ' ' N ' ' B' ' 570' ' ' GLN . 89.9 p -63.6 -59.07 5.09 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.265 -0.897 . . . . 0.0 109.472 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 569' ' ' LEU . . . . . . . . . . . . . 10.8 tp -69.84 59.42 0.15 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.209 -0.932 . . . . 0.0 109.339 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 570' ' ' GLN . . . . . 0.403 ' N ' ' O ' ' B' ' 568' ' ' SER . 48.7 tt0 -61.76 134.57 56.91 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.222 -0.924 . . . . 0.0 109.485 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 571' ' ' ASN . . . . . . . . . . . . . 15.2 p-10 -68.45 73.91 0.24 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.215 -0.928 . . . . 0.0 109.49 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -169.51 93.9 0.27 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.246 -0.909 . . . . 0.0 109.475 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 573' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -66.28 -9.97 37.85 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.262 -0.899 . . . . 0.0 109.497 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 574' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -70.45 130.6 42.32 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.29 -0.881 . . . . 0.0 109.488 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 575' ' ' ILE . . . . . . . . . . . . . 7.3 tp -61.54 153.46 5.59 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.333 -0.855 . . . . 0.0 109.225 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 576' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 -147.94 144.75 28.25 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.242 -0.911 . . . . 0.0 109.371 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 577' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -67.87 -10.86 56.57 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.282 -0.886 . . . . 0.0 109.555 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 578' ' ' GLY . . . . . . . . . . . . . . . 73.39 -85.53 0.61 Allowed Glycine 0 N--CA 1.49 2.252 0 N-CA-C 109.505 -1.438 . . . . 0.0 109.505 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 579' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -168.36 -43.92 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.254 -1.145 . . . . 0.0 109.53 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 580' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -167.28 111.03 0.69 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.306 -0.871 . . . . 0.0 109.5 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 581' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -172.67 58.97 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.26 -0.9 . . . . 0.0 109.466 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 582' ' ' ASP . . . . . 0.501 ' OD1' ' ND2' ' B' ' 585' ' ' ASN . 3.7 p30 -171.71 145.21 1.94 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.159 -0.963 . . . . 0.0 109.556 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 583' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -65.58 -120.62 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.205 -0.935 . . . . 0.0 109.375 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 584' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.7 122.12 13.34 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.227 -0.921 . . . . 0.0 109.486 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 585' ' ' ASN . . . . . 0.501 ' ND2' ' OD1' ' B' ' 582' ' ' ASP . 11.4 m120 -64.29 143.4 57.92 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.243 -0.911 . . . . 0.0 109.495 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 586' ' ' ASP . . . . . 0.427 ' O ' ' O ' ' B' ' 585' ' ' ASN . 47.8 m-20 -60.41 -152.06 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.32 -0.863 . . . . 0.0 109.433 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 587' ' ' VAL . . . . . . . . . . . . . 1.7 m -133.37 112.04 17.02 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.878 0 O-C-N 121.498 -0.751 . . . . 0.0 109.207 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 588' ' ' VAL . . . . . 0.652 ' N ' ' CD ' ' B' ' 589' ' ' PRO . 2.3 t -91.77 -34.46 0.35 Allowed Pre-proline 0 N--CA 1.494 1.727 0 O-C-N 121.327 -0.858 . . . . 0.0 111.742 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 589' ' ' PRO . . . . . 0.652 ' CD ' ' N ' ' B' ' 588' ' ' VAL . 3.7 Cg_exo -66.73 119.46 6.49 Favored 'Trans proline' 0 C--N 1.326 -0.641 0 C-N-CA 120.612 0.874 . . . . 0.0 109.898 -178.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 590' ' ' SER . . . . . . . . . . . . . 91.6 p -162.01 112.03 1.55 Allowed 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.347 -0.845 . . . . 0.0 109.199 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 591' ' ' LYS . . . . . . . . . . . . . 19.7 tptm -163.1 148.21 11.55 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.21 -0.931 . . . . 0.0 109.14 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -52.0 131.18 31.29 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.195 -0.941 . . . . 0.0 109.106 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 593' ' ' GLY . . . . . . . . . . . . . . . -155.99 110.09 0.43 Allowed Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.192 -1.563 . . . . 0.0 109.192 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 594' ' ' SER . . . . . . . . . . . . . 60.6 m -81.16 166.61 20.5 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.194 -1.18 . . . . 0.0 110.162 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 595' ' ' LEU . . . . . 0.552 ' CD2' ' N ' ' B' ' 595' ' ' LEU . 3.6 mm? -94.2 125.53 38.9 Favored 'General case' 0 C--N 1.3 -1.581 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 179.591 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 596' ' ' LEU . . . . . . . . . . . . . 1.2 mp -128.27 154.33 46.01 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.295 -0.878 . . . . 0.0 109.623 -179.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 597' ' ' ARG . . . . . . . . . . . . . 86.3 mtt180 -102.14 -143.99 0.35 Allowed 'General case' 0 N--CA 1.501 2.105 0 O-C-N 121.473 -0.767 . . . . 0.0 111.42 -178.103 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 598' ' ' CYS . . . . . 0.593 ' SG ' ' N ' ' B' ' 599' ' ' SER . 12.5 t -75.98 -100.21 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.615 -0.678 . . . . 0.0 111.217 -178.217 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 599' ' ' SER . . . . . 0.593 ' N ' ' SG ' ' B' ' 598' ' ' CYS . 91.0 p -44.3 -19.89 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.951 0 CA-C-O 122.149 0.976 . . . . 0.0 109.377 -179.045 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 600' ' ' GLU . . . . . 0.517 ' N ' ' O ' ' B' ' 598' ' ' CYS . 11.9 tp10 -47.31 -40.28 16.65 Favored 'General case' 0 C--N 1.3 -1.557 0 CA-C-O 122.668 1.223 . . . . 0.0 108.392 178.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 601' ' ' ILE . . . . . 0.576 ' O ' ' N ' ' B' ' 604' ' ' ARG . 1.4 mp -68.87 -31.72 51.77 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.077 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -178.804 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 602' ' ' TRP . . . . . 0.464 ' N ' ' O ' ' B' ' 599' ' ' SER . 59.1 t-105 -45.37 -39.95 7.41 Favored 'General case' 0 N--CA 1.494 1.738 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 179.519 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 603' ' ' ASP . . . . . 0.424 ' O ' ' OG1' ' B' ' 606' ' ' THR . 14.6 t70 -65.13 -42.6 93.73 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 107.432 -1.322 . . . . 0.0 107.432 177.351 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 604' ' ' ARG . . . . . 0.576 ' N ' ' O ' ' B' ' 601' ' ' ILE . 0.2 OUTLIER -56.24 -43.9 79.1 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.23 -0.918 . . . . 0.0 109.183 178.65 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 605' ' ' ILE . . . . . . . . . . . . . 19.8 mm -58.66 -47.17 89.61 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.922 0 O-C-N 121.431 -0.793 . . . . 0.0 110.246 179.259 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 606' ' ' THR . . . . . 0.431 ' C ' ' H ' ' B' ' 608' ' ' HIS . 68.7 p -54.63 -48.57 72.09 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.747 -1.221 . . . . 0.0 110.394 -179.13 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 607' ' ' THR . . . . . . . . . . . . . 44.5 p -69.72 8.39 0.69 Allowed 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.03 -1.044 . . . . 0.0 110.567 -179.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 608' ' ' HIS . . . . . 0.431 ' H ' ' C ' ' B' ' 606' ' ' THR . 6.1 m-70 -118.07 88.3 31.38 Favored Pre-proline 0 N--CA 1.501 2.084 0 O-C-N 121.292 -0.88 . . . . 0.0 110.028 -179.586 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 609' ' ' PRO . . . . . . . . . . . . . 8.3 Cg_exo -56.79 153.3 37.66 Favored 'Trans proline' 0 C--N 1.321 -0.894 0 C-N-CA 121.318 1.345 . . . . 0.0 109.917 179.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 610' ' ' LYS . . . . . . . . . . . . . 29.5 mmtp 55.76 54.1 8.63 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.413 -0.804 . . . . 0.0 109.367 -179.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 611' ' ' TYR . . . . . . . . . . . . . 54.6 p90 -92.82 12.22 24.35 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.289 -0.882 . . . . 0.0 109.7 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 612' ' ' SER . . . . . 0.569 ' C ' ' H ' ' B' ' 614' ' ' ILE . 40.5 t -79.4 -39.29 32.82 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.056 -1.027 . . . . 0.0 109.622 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 613' ' ' ASP . . . . . . . . . . . . . 45.9 m-20 -59.49 8.87 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.182 -0.948 . . . . 0.0 110.936 -179.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 614' ' ' ILE . . . . . 0.569 ' H ' ' C ' ' B' ' 612' ' ' SER . 89.3 mt -104.55 167.77 2.7 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.889 0 O-C-N 120.887 -1.133 . . . . 0.0 109.252 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 615' ' ' ASP . . . . . 0.486 ' N ' ' CG2' ' B' ' 614' ' ' ILE . 65.1 m-20 -113.28 118.37 34.44 Favored 'General case' 0 N--CA 1.492 1.635 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 179.088 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 616' ' ' VAL . . . . . . . . . . . . . 79.4 t -76.18 -19.04 15.23 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.558 0 O-C-N 121.234 -0.916 . . . . 0.0 108.953 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 617' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.89 -41.05 23.69 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.324 -0.86 . . . . 0.0 110.072 -179.553 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 618' ' ' GLY . . . . . . . . . . . . . . . -69.24 -49.32 40.39 Favored Glycine 0 N--CA 1.489 2.215 0 N-CA-C 109.099 -1.601 . . . . 0.0 109.099 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 619' ' ' LEU . . . . . 0.445 ' CD1' ' C ' ' B' ' 619' ' ' LEU . 1.0 OUTLIER -64.36 -20.01 65.84 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.245 -1.15 . . . . 0.0 108.938 179.685 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 620' ' ' CYS . . . . . . . . . . . . . 10.2 t -72.69 -43.79 62.62 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.103 -0.998 . . . . 0.0 109.208 179.325 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 17.2 m -80.37 -0.34 36.51 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.016 -1.053 . . . . 0.0 108.661 179.144 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 622' ' ' GLU . . . . . . . . . . . . . 58.5 tt0 -97.52 -45.31 6.47 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.415 -0.803 . . . . 0.0 109.326 177.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 623' ' ' LEU . . . . . . . . . . . . . 9.6 mp -85.44 -27.92 25.41 Favored 'General case' 0 N--CA 1.501 2.08 0 O-C-N 120.614 -1.304 . . . . 0.0 109.858 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 624' ' ' MET . . . . . . . . . . . . . 23.7 ttm -64.09 -32.45 74.01 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.255 -0.903 . . . . 0.0 112.239 -177.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 625' ' ' ALA . . . . . . . . . . . . . . . -105.02 -5.87 20.54 Favored 'General case' 0 N--CA 1.507 2.382 0 O-C-N 120.818 -1.176 . . . . 0.0 110.001 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 626' ' ' LYS . . . . . . . . . . . . . 58.5 mmtt -88.67 -10.0 50.05 Favored 'General case' 0 N--CA 1.493 1.687 0 N-CA-C 106.041 -1.837 . . . . 0.0 106.041 176.175 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 627' ' ' ALA . . . . . . . . . . . . . . . -45.52 137.26 5.15 Favored 'General case' 0 N--CA 1.491 1.595 0 CA-C-N 115.246 -0.888 . . . . 0.0 111.435 -179.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 628' ' ' LYS . . . . . . . . . . . . . 27.7 mmtp -115.11 92.21 3.86 Favored 'General case' 0 N--CA 1.499 2.009 0 N-CA-C 107.915 -1.143 . . . . 0.0 107.915 178.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 629' ' ' CYS . . . . . . . . . . . . . 96.3 m -54.57 124.28 15.74 Favored 'General case' 0 N--CA 1.493 1.679 0 CA-C-O 122.491 1.139 . . . . 0.0 112.313 -177.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 630' ' ' SER . . . . . . . . . . . . . 43.4 t -143.04 159.24 42.63 Favored 'General case' 0 N--CA 1.491 1.61 0 N-CA-C 107.163 -1.421 . . . . 0.0 107.163 177.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 631' ' ' GLU . . . . . 0.545 ' H ' ' CD ' ' B' ' 631' ' ' GLU . 1.3 pm0 -63.27 -19.77 64.86 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.279 -1.513 . . . . 0.0 109.324 -179.576 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 90.9 mtt180 -81.63 33.86 0.37 Allowed 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 107.395 -1.335 . . . . 0.0 107.395 177.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 633' ' ' GLY . . . . . 0.533 ' H ' ' C ' ' B' ' 631' ' ' GLU . . . 73.65 -169.34 53.52 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 107.747 -2.141 . . . . 0.0 107.747 -178.448 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 634' ' ' VAL . . . . . . . . . . . . . 7.6 p -77.55 144.36 11.57 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.416 0 O-C-N 120.476 -1.602 . . . . 0.0 109.445 179.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 28.2 m -138.11 141.17 38.93 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.0 0 O-C-N 121.065 -1.022 . . . . 0.0 109.394 179.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 636' ' ' ILE . . . . . . . . . . . . . 88.4 mt -131.6 151.69 35.85 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.949 0 O-C-N 121.505 -0.747 . . . . 0.0 109.426 -179.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 637' ' ' ASN . . . . . 0.407 ' O ' ' N ' ' B' ' 639' ' ' GLU . 28.1 m-20 -86.39 133.23 33.8 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.214 -0.929 . . . . 0.0 109.455 179.794 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -48.92 -11.02 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.735 -0.603 . . . . 0.0 111.766 -179.14 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 639' ' ' GLU . . . . . 0.407 ' N ' ' O ' ' B' ' 637' ' ' ASN . 7.7 pt-20 -85.76 -21.81 28.02 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 120.543 -1.348 . . . . 0.0 111.338 -178.783 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 640' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -82.83 -38.82 22.52 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 120.228 -1.545 . . . . 0.0 108.051 178.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 641' ' ' VAL . . . . . 0.536 ' O ' ' N ' ' B' ' 644' ' ' ALA . 7.0 p -71.91 -51.52 30.81 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.633 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 177.65 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 642' ' ' GLN . . . . . 0.407 ' N ' ' CG1' ' B' ' 641' ' ' VAL . 67.1 tp60 -48.73 -31.76 7.41 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.735 -1.228 . . . . 0.0 108.837 179.748 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 643' ' ' LEU . . . . . . . . . . . . . 68.8 mt -84.17 -17.71 39.06 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.081 -1.012 . . . . 0.0 108.872 177.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 644' ' ' ALA . . . . . 0.536 ' N ' ' O ' ' B' ' 641' ' ' VAL . . . -87.91 -32.77 18.77 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 120.828 -1.17 . . . . 0.0 109.351 178.536 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 645' ' ' LEU . . . . . . . . . . . . . 64.2 mt -87.24 -24.57 24.34 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.163 -0.96 . . . . 0.0 110.001 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 646' ' ' ASN . . . . . . . . . . . . . 37.9 t30 -91.23 -12.67 34.57 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 120.886 -1.133 . . . . 0.0 110.313 -179.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 647' ' ' LYS . . . . . . . . . . . . . 39.5 mttp -89.43 -4.79 57.86 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 120.877 -1.139 . . . . 0.0 109.248 179.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 648' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -112.84 18.97 17.77 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.442 -0.786 . . . . 0.0 109.58 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 649' ' ' MET . . . . . . . . . . . . . 44.2 mtt -96.29 122.74 39.49 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.143 -0.973 . . . . 0.0 109.345 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 650' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 . . . . . 0 N--CA 1.49 1.546 0 CA-C-O 118.002 -0.999 . . . . 0.0 109.464 -179.966 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 279' ' ' ASN . . . . . . . . . . . . . 6.1 m120 . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . 16.1 mt -69.21 128.54 36.98 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.248 -0.908 . . . . 0.0 109.445 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 281' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -167.2 46.63 0.06 Allowed 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.25 -0.906 . . . . 0.0 109.419 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 282' ' ' SER . . . . . 0.668 ' HG ' ' H ' ' A' ' 283' ' ' ASN . 9.5 t -167.8 -171.75 1.68 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.276 -0.89 . . . . 0.0 109.433 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 283' ' ' ASN . . . . . 0.668 ' H ' ' HG ' ' A' ' 282' ' ' SER . 19.7 t30 -171.32 69.79 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.196 -0.94 . . . . 0.0 109.599 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 284' ' ' MET . . . . . 0.592 ' N ' ' SD ' ' A' ' 284' ' ' MET . 0.0 OUTLIER -75.89 169.76 17.53 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.215 -0.928 . . . . 0.0 109.122 179.904 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 285' ' ' PHE . . . . . 0.432 ' O ' ' O ' ' A' ' 286' ' ' SER . 22.8 m-85 -64.72 -144.27 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.224 -0.923 . . . . 0.0 109.462 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 286' ' ' SER . . . . . 0.432 ' O ' ' O ' ' A' ' 285' ' ' PHE . 2.1 m 60.22 151.21 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.284 -0.885 . . . . 0.0 109.671 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 287' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -74.06 124.52 26.43 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.206 -0.934 . . . . 0.0 109.209 179.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 288' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -77.83 -21.06 52.04 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.247 -0.908 . . . . 0.0 109.241 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 289' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -166.83 -60.62 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.295 -0.878 . . . . 0.0 109.567 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 290' ' ' ASN . . . . . . . . . . . . . 50.2 t30 -168.3 -15.45 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.211 -0.93 . . . . 0.0 109.574 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 291' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -74.44 53.34 0.53 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.255 -0.903 . . . . 0.0 109.327 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 292' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -165.78 94.8 0.6 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.249 -0.907 . . . . 0.0 109.537 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 293' ' ' ASN . . . . . 0.658 ' N ' HD21 ' A' ' 293' ' ' ASN . 0.0 OUTLIER -67.94 77.06 0.22 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.278 -0.889 . . . . 0.0 109.543 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 294' ' ' GLN . . . . . 0.526 ' O ' ' N ' ' A' ' 296' ' ' ASP . 16.7 tt0 -171.88 -5.56 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.35 -0.844 . . . . 0.0 108.82 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 295' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 57.87 -77.89 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.622 -0.674 . . . . 0.0 109.856 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 296' ' ' ASP . . . . . 0.526 ' N ' ' O ' ' A' ' 294' ' ' GLN . 12.8 p-10 -163.73 101.37 0.91 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.713 -1.242 . . . . 0.0 110.853 -179.674 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 297' ' ' GLU . . . . . 0.493 ' C ' ' H ' ' A' ' 299' ' ' VAL . 39.5 tt0 -93.89 -71.18 0.67 Allowed 'General case' 0 N--CA 1.495 1.804 0 N-CA-C 108.122 -1.066 . . . . 0.0 108.122 178.583 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 298' ' ' GLN . . . . . 0.425 ' O ' ' O ' ' A' ' 299' ' ' VAL . 1.1 tm0? 64.02 -6.39 0.26 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.523 -0.736 . . . . 0.0 110.356 178.65 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 299' ' ' VAL . . . . . 0.493 ' H ' ' C ' ' A' ' 297' ' ' GLU . 8.0 t 60.55 109.44 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.078 -1.014 . . . . 0.0 108.556 -179.374 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 300' ' ' SER . . . . . 0.484 ' O ' ' N ' ' A' ' 302' ' ' PHE . 23.2 t -134.36 -115.1 0.2 Allowed 'General case' 0 N--CA 1.5 2.028 0 O-C-N 121.616 -0.678 . . . . 0.0 110.821 -177.82 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 301' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 300' ' ' SER . 12.8 pt-20 -42.06 -25.22 0.06 Allowed 'General case' 0 N--CA 1.487 1.414 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 179.613 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 302' ' ' PHE . . . . . 0.484 ' N ' ' O ' ' A' ' 300' ' ' SER . 67.9 t80 -63.03 -66.13 0.59 Allowed 'General case' 0 C--N 1.302 -1.467 0 C-N-CA 119.711 -0.796 . . . . 0.0 109.1 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 303' ' ' CYS . . . . . . . . . . . . . 16.5 t -83.4 -46.09 12.93 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.331 -0.856 . . . . 0.0 109.855 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 49.2 m -48.66 -26.59 2.36 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.355 -0.841 . . . . 0.0 110.17 -179.463 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . 58.3 tttm -102.26 -14.91 16.79 Favored 'General case' 0 N--CA 1.502 2.131 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 178.275 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 306' ' ' MET . . . . . . . . . . . . . 2.4 tpp -71.59 -25.74 62.31 Favored 'General case' 0 C--N 1.301 -1.537 0 N-CA-C 107.579 -1.267 . . . . 0.0 107.579 176.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 307' ' ' ASN . . . . . 0.433 ' O ' ' C ' ' A' ' 308' ' ' GLN . 88.7 m-20 -87.21 -39.28 15.6 Favored 'General case' 0 N--CA 1.494 1.734 0 N-CA-C 106.679 -1.6 . . . . 0.0 106.679 178.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 308' ' ' GLN . . . . . 0.544 ' C ' ' H ' ' A' ' 310' ' ' CYS . 8.5 tp-100 -36.27 -39.3 0.18 Allowed 'General case' 0 N--CA 1.505 2.277 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.486 178.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 309' ' ' VAL . . . . . 0.418 ' CG2' ' SD ' ' B' ' 624' ' ' MET . 38.6 t -46.85 -13.01 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.891 0 C-N-CA 119.905 -0.718 . . . . 0.0 109.644 179.46 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 310' ' ' CYS . . . . . 0.544 ' H ' ' C ' ' A' ' 308' ' ' GLN . 8.9 t -72.24 -47.95 46.48 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.391 -0.818 . . . . 0.0 109.541 179.343 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 311' ' ' GLY . . . . . . . . . . . . . . . -67.26 146.83 48.26 Favored Glycine 0 N--CA 1.492 2.396 0 N-CA-C 109.672 -1.371 . . . . 0.0 109.672 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 312' ' ' THR . . . . . . . . . . . . . 51.3 m -129.92 126.75 38.64 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.61 -0.936 . . . . 0.0 109.269 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 313' ' ' ARG . . . . . 0.56 HH11 ' CG ' ' A' ' 313' ' ' ARG . 3.7 mtt-85 . . . . . 0 N--CA 1.491 1.585 0 CA-C-O 117.985 -1.007 . . . . 0.0 109.515 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 565' ' ' ASN . . . . . 0.423 ' OD1' ' N ' ' B' ' 566' ' ' GLY . 62.3 t-20 . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 566' ' ' GLY . . . . . 0.423 ' N ' ' OD1' ' B' ' 565' ' ' ASN . . . 170.74 57.04 0.04 OUTLIER Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.419 -1.472 . . . . 0.0 109.419 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 567' ' ' SER . . . . . . . . . . . . . 41.6 t -62.72 114.94 3.9 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.218 -1.166 . . . . 0.0 109.333 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 568' ' ' SER . . . . . . . . . . . . . 38.7 t -170.41 -23.04 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.215 -0.928 . . . . 0.0 109.492 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 569' ' ' LEU . . . . . 0.495 ' CD1' ' N ' ' B' ' 569' ' ' LEU . 8.7 mp -63.19 161.27 13.9 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.225 -0.922 . . . . 0.0 109.263 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 570' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 52.17 79.48 0.11 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.285 -0.885 . . . . 0.0 109.448 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 571' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -60.24 147.53 39.79 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.209 -0.932 . . . . 0.0 109.46 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 572' ' ' ALA . . . . . 0.49 ' O ' ' N ' ' B' ' 574' ' ' LYS . . . -168.56 -19.02 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.174 -0.954 . . . . 0.0 109.459 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 573' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -67.23 67.44 0.07 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.268 -0.895 . . . . 0.0 109.498 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 574' ' ' LYS . . . . . 0.49 ' N ' ' O ' ' B' ' 572' ' ' ALA . 17.1 ttmm -58.51 105.91 0.34 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.272 -0.892 . . . . 0.0 109.455 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 575' ' ' ILE . . . . . . . . . . . . . 73.2 mt -63.38 110.79 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.331 -0.856 . . . . 0.0 109.543 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 576' ' ' ASN . . . . . . . . . . . . . 71.9 m-80 -70.97 125.78 27.78 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.296 -0.877 . . . . 0.0 109.433 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 577' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -62.35 146.38 51.34 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.291 -0.881 . . . . 0.0 109.542 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 578' ' ' GLY . . . . . . . . . . . . . . . 179.93 168.97 39.5 Favored Glycine 0 N--CA 1.491 2.313 0 N-CA-C 109.56 -1.416 . . . . 0.0 109.56 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 579' ' ' ASN . . . . . 0.482 ' O ' ' N ' ' B' ' 581' ' ' ASN . 5.9 t-20 -64.04 160.59 17.71 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.221 -1.164 . . . . 0.0 109.473 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 580' ' ' ASP . . . . . 0.449 ' H ' ' ND2' ' B' ' 579' ' ' ASN . 2.8 m-20 50.71 -93.12 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.291 -0.88 . . . . 0.0 109.411 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 581' ' ' ASN . . . . . 0.482 ' N ' ' O ' ' B' ' 579' ' ' ASN . 22.2 t-20 -168.27 -12.1 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.168 -0.957 . . . . 0.0 109.474 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 582' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -170.67 139.31 1.54 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.224 -0.923 . . . . 0.0 109.423 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 583' ' ' ASN . . . . . 0.496 ' C ' ' H ' ' B' ' 585' ' ' ASN . 3.6 p-10 -170.27 -14.18 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.268 -0.895 . . . . 0.0 109.453 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 584' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -72.59 13.45 0.35 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.301 -0.874 . . . . 0.0 109.438 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 585' ' ' ASN . . . . . 0.496 ' H ' ' C ' ' B' ' 583' ' ' ASN . 20.6 m120 -66.1 -163.67 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.273 -0.892 . . . . 0.0 109.434 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 586' ' ' ASP . . . . . 0.421 ' O ' ' O ' ' B' ' 585' ' ' ASN . 3.1 p30 41.93 -163.79 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.619 -0.676 . . . . 0.0 110.103 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 587' ' ' VAL . . . . . . . . . . . . . 1.6 p -175.72 146.34 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.354 0 O-C-N 121.249 -0.907 . . . . 0.0 109.034 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 588' ' ' VAL . . . . . . . . . . . . . 97.6 t 42.96 72.74 1.08 Allowed Pre-proline 0 N--CA 1.497 1.902 0 N-CA-C 109.573 -0.528 . . . . 0.0 109.573 -179.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 589' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -64.49 179.09 1.37 Allowed 'Trans proline' 0 C--N 1.317 -1.08 0 C-N-CA 121.468 1.445 . . . . 0.0 109.726 -179.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 590' ' ' SER . . . . . . . . . . . . . 41.8 t -167.86 136.98 2.54 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.195 -0.941 . . . . 0.0 109.56 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 591' ' ' LYS . . . . . 0.416 ' O ' ' OE2' ' B' ' 639' ' ' GLU . 18.1 ttmm -171.15 92.45 0.16 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.365 -0.834 . . . . 0.0 109.318 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -84.41 139.1 32.46 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.264 -0.897 . . . . 0.0 109.567 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 593' ' ' GLY . . . . . . . . . . . . . . . -80.22 -146.12 4.19 Favored Glycine 0 N--CA 1.489 2.213 0 N-CA-C 109.134 -1.586 . . . . 0.0 109.134 179.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 594' ' ' SER . . . . . . . . . . . . . 71.9 m -101.75 164.61 11.65 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.321 -1.105 . . . . 0.0 110.001 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 595' ' ' LEU . . . . . 0.492 ' CD1' ' N ' ' B' ' 595' ' ' LEU . 7.7 mp -95.83 120.05 35.4 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 596' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -128.12 155.47 44.37 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.432 -0.793 . . . . 0.0 109.407 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 597' ' ' ARG . . . . . . . . . . . . . 66.7 mtm180 -87.78 -174.66 4.84 Favored 'General case' 0 N--CA 1.492 1.67 0 CA-C-O 121.97 0.891 . . . . 0.0 110.896 -179.092 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 598' ' ' CYS . . . . . 0.526 ' O ' ' N ' ' B' ' 600' ' ' GLU . 4.5 p -53.74 -103.07 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.73 0 CA-C-O 121.48 0.657 . . . . 0.0 111.902 -177.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 6.5 t -43.46 -17.86 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.449 -0.782 . . . . 0.0 110.613 -178.116 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 600' ' ' GLU . . . . . 0.526 ' N ' ' O ' ' B' ' 598' ' ' CYS . 41.3 tt0 -53.43 -32.32 49.29 Favored 'General case' 0 C--N 1.302 -1.479 0 C-N-CA 118.62 -1.232 . . . . 0.0 107.954 -179.527 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 601' ' ' ILE . . . . . 0.572 ' O ' ' N ' ' B' ' 604' ' ' ARG . 1.0 OUTLIER -70.62 -40.29 76.95 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.294 0 N-CA-C 107.493 -1.299 . . . . 0.0 107.493 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 602' ' ' TRP . . . . . 0.4 ' C ' ' O ' ' B' ' 601' ' ' ILE . 27.2 t-105 -41.43 -38.27 1.22 Allowed 'General case' 0 N--CA 1.496 1.83 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 603' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -70.62 -41.79 71.77 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 178.079 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 604' ' ' ARG . . . . . 0.572 ' N ' ' O ' ' B' ' 601' ' ' ILE . 4.4 tpp180 -57.03 -22.31 37.86 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.603 -0.685 . . . . 0.0 110.529 179.667 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 605' ' ' ILE . . . . . . . . . . . . . 3.6 mt -88.68 -35.79 8.27 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.147 0 O-C-N 120.822 -1.174 . . . . 0.0 110.621 -177.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 606' ' ' THR . . . . . 0.556 ' C ' ' H ' ' B' ' 608' ' ' HIS . 57.9 p -59.52 -39.36 83.61 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.425 -0.797 . . . . 0.0 110.185 -178.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 607' ' ' THR . . . . . . . . . . . . . 1.8 t -67.06 15.52 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.047 -1.033 . . . . 0.0 110.41 -179.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 608' ' ' HIS . . . . . 0.556 ' H ' ' C ' ' B' ' 606' ' ' THR . 39.1 m-70 -131.9 123.97 19.4 Favored Pre-proline 0 N--CA 1.498 1.958 0 O-C-N 121.283 -0.886 . . . . 0.0 109.231 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 609' ' ' PRO . . . . . 0.519 ' O ' ' N ' ' B' ' 611' ' ' TYR . 2.1 Cg_endo -60.96 -37.07 79.73 Favored 'Trans proline' 0 C--O 1.215 -0.637 0 N-CA-C 109.53 -0.989 . . . . 0.0 109.53 179.614 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 610' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -64.73 71.59 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.327 -0.858 . . . . 0.0 109.385 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 611' ' ' TYR . . . . . 0.519 ' N ' ' O ' ' B' ' 609' ' ' PRO . 33.9 t80 -127.48 -0.63 6.24 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.579 -0.701 . . . . 0.0 109.236 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 612' ' ' SER . . . . . 0.661 ' HG ' ' N ' ' B' ' 613' ' ' ASP . 93.9 p -80.39 -67.25 0.79 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.141 -0.975 . . . . 0.0 109.579 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 613' ' ' ASP . . . . . 0.661 ' N ' ' HG ' ' B' ' 612' ' ' SER . 12.6 p-10 -64.82 -126.6 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.376 -0.828 . . . . 0.0 109.764 -179.846 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 614' ' ' ILE . . . . . 0.473 ' H ' ' CG ' ' B' ' 613' ' ' ASP . 86.2 mt 53.16 163.14 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 CA-C-O 121.729 0.776 . . . . 0.0 110.853 179.223 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 615' ' ' ASP . . . . . 0.419 ' N ' ' CG2' ' B' ' 614' ' ' ILE . 0.9 OUTLIER -115.45 107.65 15.46 Favored 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 107.894 -1.15 . . . . 0.0 107.894 179.176 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 616' ' ' VAL . . . . . . . . . . . . . 4.2 p -75.22 -18.59 16.07 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.523 0 O-C-N 121.232 -0.918 . . . . 0.0 108.8 -179.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 617' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -81.05 -38.55 27.21 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.439 -0.788 . . . . 0.0 109.832 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 618' ' ' GLY . . . . . . . . . . . . . . . -70.06 -41.2 71.54 Favored Glycine 0 N--CA 1.489 2.226 0 N-CA-C 109.183 -1.567 . . . . 0.0 109.183 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 619' ' ' LEU . . . . . 0.47 ' CD1' ' C ' ' B' ' 619' ' ' LEU . 0.6 OUTLIER -68.47 -22.82 64.54 Favored 'General case' 0 N--CA 1.486 1.346 0 O-C-N 121.219 -1.165 . . . . 0.0 108.063 179.44 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 620' ' ' CYS . . . . . . . . . . . . . 44.6 t -69.66 -49.2 55.97 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.42 -0.8 . . . . 0.0 110.177 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 30.2 t -79.21 -4.96 53.09 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 120.913 -1.117 . . . . 0.0 109.61 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 622' ' ' GLU . . . . . . . . . . . . . 38.5 tp10 -101.39 -34.01 9.77 Favored 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 108.377 -0.972 . . . . 0.0 108.377 177.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 623' ' ' LEU . . . . . . . . . . . . . 5.7 tt -89.63 -28.88 19.22 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 120.99 -1.069 . . . . 0.0 109.56 179.446 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 624' ' ' MET . . . . . 0.418 ' SD ' ' CG2' ' A' ' 309' ' ' VAL . 0.3 OUTLIER -77.74 -30.0 51.39 Favored 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 113.352 0.871 . . . . 0.0 113.352 -177.26 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 625' ' ' ALA . . . . . . . . . . . . . . . -96.02 -3.62 44.57 Favored 'General case' 0 N--CA 1.507 2.383 0 O-C-N 120.446 -1.408 . . . . 0.0 109.643 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 626' ' ' LYS . . . . . . . . . . . . . 4.2 tppt? -91.92 -2.75 56.64 Favored 'General case' 0 N--CA 1.492 1.651 0 N-CA-C 105.92 -1.882 . . . . 0.0 105.92 175.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 627' ' ' ALA . . . . . . . . . . . . . . . -52.93 147.88 8.56 Favored 'General case' 0 N--CA 1.494 1.741 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.769 -179.101 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 628' ' ' LYS . . . . . . . . . . . . . 84.1 mttt -121.98 88.72 2.99 Favored 'General case' 0 N--CA 1.496 1.862 0 N-CA-C 107.845 -1.168 . . . . 0.0 107.845 178.539 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 629' ' ' CYS . . . . . . . . . . . . . 16.6 t -51.81 137.97 24.85 Favored 'General case' 0 N--CA 1.492 1.652 0 CA-C-O 122.235 1.017 . . . . 0.0 111.704 -178.005 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 630' ' ' SER . . . . . . . . . . . . . 4.6 t -142.47 162.74 34.69 Favored 'General case' 0 N--CA 1.493 1.717 0 N-CA-C 107.526 -1.287 . . . . 0.0 107.526 178.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 631' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -67.19 -32.35 73.37 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.468 -1.395 . . . . 0.0 109.996 -179.274 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 74.5 mtm180 -72.57 -16.14 61.75 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.73 -1.231 . . . . 0.0 108.511 179.19 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 633' ' ' GLY . . . . . . . . . . . . . . . 134.86 -177.27 19.42 Favored Glycine 0 N--CA 1.497 2.73 0 N-CA-C 108.569 -1.812 . . . . 0.0 108.569 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 634' ' ' VAL . . . . . . . . . . . . . 7.2 p -75.46 140.85 16.69 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.389 0 O-C-N 120.598 -1.531 . . . . 0.0 109.769 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 11.6 m -136.14 140.33 44.04 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.976 0 O-C-N 121.217 -0.927 . . . . 0.0 108.594 178.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 636' ' ' ILE . . . . . . . . . . . . . 64.3 mt -136.2 153.36 31.46 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.909 0 O-C-N 121.537 -0.727 . . . . 0.0 109.329 -179.004 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 637' ' ' ASN . . . . . . . . . . . . . 15.8 m-20 -83.76 138.3 33.33 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.292 -0.88 . . . . 0.0 109.102 179.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -60.57 -10.77 5.58 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.383 -0.823 . . . . 0.0 110.261 -179.402 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 639' ' ' GLU . . . . . 0.416 ' OE2' ' O ' ' B' ' 591' ' ' LYS . 76.5 mt-10 -79.49 -20.62 46.86 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.649 -1.282 . . . . 0.0 109.548 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 640' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -85.68 -34.48 21.29 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 120.594 -1.316 . . . . 0.0 108.298 178.073 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 641' ' ' VAL . . . . . . . . . . . . . 1.6 m -79.06 -33.33 15.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 178.458 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 642' ' ' GLN . . . . . 0.428 ' O ' ' OD1' ' B' ' 646' ' ' ASN . 33.3 tt0 -65.54 -37.41 86.66 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.261 -0.9 . . . . 0.0 108.76 178.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 643' ' ' LEU . . . . . . . . . . . . . 27.8 mt -84.83 -21.9 29.68 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.447 -0.783 . . . . 0.0 109.242 178.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 644' ' ' ALA . . . . . . . . . . . . . . . -84.36 -24.43 29.72 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.576 -1.327 . . . . 0.0 107.862 177.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 645' ' ' LEU . . . . . . . . . . . . . 28.8 mt -88.87 -25.22 22.27 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.406 -0.809 . . . . 0.0 109.247 178.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 646' ' ' ASN . . . . . 0.428 ' OD1' ' O ' ' B' ' 642' ' ' GLN . 19.5 m120 -90.9 -16.88 27.4 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.262 -0.899 . . . . 0.0 109.836 -179.681 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 647' ' ' LYS . . . . . 0.495 ' O ' ' N ' ' B' ' 649' ' ' MET . 94.2 mttt -91.94 -175.19 4.04 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.137 -0.977 . . . . 0.0 109.804 -179.588 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 648' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 43.85 20.96 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.706 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 -179.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 649' ' ' MET . . . . . 0.495 ' N ' ' O ' ' B' ' 647' ' ' LYS . 28.1 ttm -95.09 140.98 29.27 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.534 -0.729 . . . . 0.0 109.633 -179.324 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 650' ' ' ASN . . . . . . . . . . . . . 43.0 t30 . . . . . 0 N--CA 1.49 1.534 0 CA-C-O 117.959 -1.019 . . . . 0.0 109.395 -179.966 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 279' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 280' ' ' LEU . . . . . 0.494 ' CD1' ' N ' ' A' ' 280' ' ' LEU . 8.4 mp -63.79 -15.15 58.02 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.231 -0.918 . . . . 0.0 109.268 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 281' ' ' ASP . . . . . . . . . . . . . 36.2 t70 52.61 84.9 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.228 -0.92 . . . . 0.0 109.417 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 282' ' ' SER . . . . . . . . . . . . . 37.5 t -68.65 167.73 14.58 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.186 -0.946 . . . . 0.0 109.465 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 283' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -150.53 3.04 0.48 Allowed 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.199 -0.938 . . . . 0.0 109.58 -179.797 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 284' ' ' MET . . . . . . . . . . . . . 51.0 mtt -91.35 38.1 0.96 Allowed 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.129 -0.982 . . . . 0.0 109.452 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 285' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -60.71 -169.2 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.276 -0.89 . . . . 0.0 109.59 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 286' ' ' SER . . . . . . . . . . . . . 12.0 m 54.1 -141.19 0.88 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.294 -0.879 . . . . 0.0 109.446 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 287' ' ' ASN . . . . . 0.428 ' O ' ' O ' ' A' ' 288' ' ' ASP . 12.4 t30 -162.71 77.39 0.46 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.224 -0.923 . . . . 0.0 109.507 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 288' ' ' ASP . . . . . 0.428 ' O ' ' O ' ' A' ' 287' ' ' ASN . 12.8 m-20 55.8 167.93 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.324 -0.86 . . . . 0.0 109.438 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 289' ' ' PHE . . . . . 0.438 ' O ' ' N ' ' A' ' 291' ' ' PHE . 42.3 m-85 50.36 42.46 26.04 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.247 -0.908 . . . . 0.0 109.466 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 290' ' ' ASN . . . . . 0.532 HD22 HE21 ' A' ' 294' ' ' GLN . 3.8 t30 -68.66 69.05 0.16 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.253 -0.905 . . . . 0.0 109.376 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 291' ' ' PHE . . . . . 0.438 ' N ' ' O ' ' A' ' 289' ' ' PHE . 70.2 t80 -70.17 -53.3 17.8 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.238 -0.913 . . . . 0.0 109.38 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 292' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -143.4 -0.62 1.08 Allowed 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.243 -0.911 . . . . 0.0 109.104 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 293' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -63.61 113.08 3.11 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.223 -0.923 . . . . 0.0 109.36 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 294' ' ' GLN . . . . . 0.532 HE21 HD22 ' A' ' 290' ' ' ASN . 72.7 mm-40 -138.96 26.26 2.47 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.253 -0.905 . . . . 0.0 109.243 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 295' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -80.24 -105.13 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.248 -0.907 . . . . 0.0 109.404 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -174.62 92.98 0.07 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.154 -0.966 . . . . 0.0 109.552 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 297' ' ' GLU . . . . . 0.518 ' N ' ' OE2' ' A' ' 297' ' ' GLU . 2.0 mp0 48.33 -110.03 0.34 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.244 -0.91 . . . . 0.0 109.469 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 298' ' ' GLN . . . . . 0.435 ' O ' ' O ' ' A' ' 299' ' ' VAL . 13.7 tt0 -153.82 -50.81 0.1 Allowed 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.163 -0.961 . . . . 0.0 109.524 179.632 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 299' ' ' VAL . . . . . 0.435 ' O ' ' O ' ' A' ' 298' ' ' GLN . 4.2 t 59.55 116.59 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.242 0 CA-C-O 122.146 0.974 . . . . 0.0 109.202 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 300' ' ' SER . . . . . 0.468 ' O ' ' N ' ' A' ' 302' ' ' PHE . 7.7 t -165.5 -167.5 1.15 Allowed 'General case' 0 C--N 1.294 -1.84 0 C-N-CA 119.742 -0.783 . . . . 0.0 110.081 179.52 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 301' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -46.7 -17.92 0.06 Allowed 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.448 -0.783 . . . . 0.0 109.652 -179.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 302' ' ' PHE . . . . . 0.517 ' CD2' ' SD ' ' A' ' 306' ' ' MET . 5.5 t80 -77.77 -43.56 30.38 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 179.318 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 303' ' ' CYS . . . . . . . . . . . . . 85.8 m -86.37 -47.12 9.63 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.546 -0.721 . . . . 0.0 109.147 179.069 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 2.1 p -53.49 -31.06 44.24 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.499 -0.751 . . . . 0.0 111.672 -178.462 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . 78.6 mttt -104.59 -16.34 15.05 Favored 'General case' 0 N--CA 1.508 2.437 0 O-C-N 120.766 -1.209 . . . . 0.0 110.203 179.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 306' ' ' MET . . . . . 0.517 ' SD ' ' CD2' ' A' ' 302' ' ' PHE . 38.7 mtp -74.61 -25.66 59.39 Favored 'General case' 0 C--N 1.299 -1.595 0 N-CA-C 106.513 -1.662 . . . . 0.0 106.513 176.676 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 307' ' ' ASN . . . . . 0.476 ' O ' ' N ' ' A' ' 310' ' ' CYS . 2.0 m-20 -82.74 -42.99 17.32 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 106.352 -1.721 . . . . 0.0 106.352 178.538 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 308' ' ' GLN . . . . . 0.524 ' O ' ' N ' ' A' ' 311' ' ' GLY . 6.4 tm0? -35.08 -39.14 0.1 Allowed 'General case' 0 N--CA 1.505 2.306 0 CA-C-O 121.394 0.616 . . . . 0.0 109.419 178.606 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 309' ' ' VAL . . . . . . . . . . . . . 38.0 t -45.98 -16.62 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.861 0 CA-C-O 121.857 0.836 . . . . 0.0 109.021 179.219 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 310' ' ' CYS . . . . . 0.523 ' N ' ' O ' ' A' ' 308' ' ' GLN . 8.9 m -89.58 19.29 4.68 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.553 -0.717 . . . . 0.0 109.113 179.046 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 311' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' A' ' 308' ' ' GLN . . . -79.07 118.46 4.8 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.495 -1.442 . . . . 0.0 109.495 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 312' ' ' THR . . . . . . . . . . . . . 67.3 p -77.81 110.33 12.59 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.294 -1.121 . . . . 0.0 109.507 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 313' ' ' ARG . . . . . . . . . . . . . 34.2 ptt180 . . . . . 0 N--CA 1.49 1.559 0 CA-C-O 118.045 -0.979 . . . . 0.0 109.522 -179.988 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 565' ' ' ASN . . . . . 0.403 ' H2 ' ' H ' ' B' ' 566' ' ' GLY . 25.4 t-20 . . . . . 0 N--CA 1.49 1.541 0 CA-C-O 121.288 0.566 . . . . 0.0 109.512 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 566' ' ' GLY . . . . . 0.403 ' H ' ' H2 ' ' B' ' 565' ' ' ASN . . . -177.81 2.97 0.03 OUTLIER Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.536 -1.425 . . . . 0.0 109.536 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 567' ' ' SER . . . . . . . . . . . . . 38.7 t -64.44 97.49 0.2 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.294 -1.121 . . . . 0.0 109.486 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 568' ' ' SER . . . . . . . . . . . . . 42.6 t -64.19 -28.26 69.62 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.226 -0.921 . . . . 0.0 109.465 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 569' ' ' LEU . . . . . . . . . . . . . 15.5 mt -69.58 115.59 9.01 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.2 -0.938 . . . . 0.0 109.392 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 570' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 52.35 -167.19 0.05 Allowed 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.227 -0.921 . . . . 0.0 109.427 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 571' ' ' ASN . . . . . . . . . . . . . 7.4 m120 52.25 48.81 21.89 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.2 -0.938 . . . . 0.0 109.537 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 572' ' ' ALA . . . . . 0.433 ' O ' ' O ' ' B' ' 573' ' ' ASP . . . -170.6 124.41 0.68 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.217 -0.927 . . . . 0.0 109.399 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 573' ' ' ASP . . . . . 0.433 ' O ' ' O ' ' B' ' 572' ' ' ALA . 26.1 t70 56.54 106.93 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.288 -0.883 . . . . 0.0 109.543 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 574' ' ' LYS . . . . . . . . . . . . . 19.4 ptmt -146.53 -15.85 0.43 Allowed 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.2 -0.938 . . . . 0.0 109.317 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 575' ' ' ILE . . . . . . . . . . . . . 15.9 tt -72.63 -17.51 18.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.31 -0.869 . . . . 0.0 109.314 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 576' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -167.54 156.34 9.72 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.391 -0.818 . . . . 0.0 109.323 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 577' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -73.85 -95.87 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.239 -0.913 . . . . 0.0 109.453 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 578' ' ' GLY . . . . . . . . . . . . . . . -65.85 154.8 50.87 Favored Glycine 0 N--CA 1.489 2.195 0 N-CA-C 109.55 -1.42 . . . . 0.0 109.55 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 579' ' ' ASN . . . . . . . . . . . . . 49.4 m-80 -74.37 139.59 44.19 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.258 -1.142 . . . . 0.0 109.402 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 580' ' ' ASP . . . . . 0.519 ' C ' ' H ' ' B' ' 582' ' ' ASP . 8.2 m-20 -75.6 176.35 7.71 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.296 -0.878 . . . . 0.0 109.448 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 581' ' ' ASN . . . . . 0.42 ' OD1' ' N ' ' B' ' 581' ' ' ASN . 0.9 OUTLIER 66.72 -43.0 0.42 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.46 -0.775 . . . . 0.0 109.694 -179.914 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 582' ' ' ASP . . . . . 0.519 ' H ' ' C ' ' B' ' 580' ' ' ASP . 1.0 OUTLIER -56.52 -85.37 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.198 -0.939 . . . . 0.0 109.357 179.922 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 583' ' ' ASN . . . . . . . . . . . . . 30.1 t-20 -66.33 129.69 40.7 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.235 -0.916 . . . . 0.0 109.503 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 584' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -169.5 46.99 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.223 -0.923 . . . . 0.0 109.41 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 585' ' ' ASN . . . . . . . . . . . . . 14.9 p-10 -70.07 -47.73 60.73 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.33 -0.856 . . . . 0.0 109.236 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 586' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -169.83 63.73 0.05 OUTLIER 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.282 -0.887 . . . . 0.0 109.516 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 587' ' ' VAL . . . . . 0.425 ' CG1' ' H ' ' B' ' 588' ' ' VAL . 2.2 t -76.97 -139.2 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.174 -0.953 . . . . 0.0 109.23 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 588' ' ' VAL . . . . . 0.425 ' H ' ' CG1' ' B' ' 587' ' ' VAL . 23.2 t -60.21 133.49 90.49 Favored Pre-proline 0 N--CA 1.49 1.55 0 O-C-N 121.38 -0.825 . . . . 0.0 109.001 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 589' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -59.76 115.62 2.74 Favored 'Trans proline' 0 C--O 1.215 -0.636 0 N-CA-C 109.626 -0.952 . . . . 0.0 109.626 179.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 590' ' ' SER . . . . . . . . . . . . . 42.4 t -79.28 154.84 28.83 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.161 -0.962 . . . . 0.0 109.226 179.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 591' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -70.43 144.82 51.37 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.2 -0.938 . . . . 0.0 109.364 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -74.69 -152.8 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.264 -0.897 . . . . 0.0 109.526 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 593' ' ' GLY . . . . . . . . . . . . . . . -152.37 -143.56 3.72 Favored Glycine 0 N--CA 1.492 2.37 0 N-CA-C 109.046 -1.622 . . . . 0.0 109.046 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 594' ' ' SER . . . . . . . . . . . . . 69.3 m -82.65 165.54 19.92 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.016 -1.284 . . . . 0.0 110.126 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 595' ' ' LEU . . . . . 0.57 ' CD2' ' N ' ' B' ' 595' ' ' LEU . 2.8 mm? -98.53 124.22 43.15 Favored 'General case' 0 C--N 1.298 -1.631 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 179.78 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 596' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -128.93 141.89 51.12 Favored 'General case' 0 N--CA 1.504 2.266 0 O-C-N 121.182 -0.949 . . . . 0.0 109.212 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 597' ' ' ARG . . . . . 0.566 ' H ' ' CB ' ' B' ' 600' ' ' GLU . 34.9 mtp180 -112.84 -124.01 0.28 Allowed 'General case' 0 N--CA 1.505 2.321 0 O-C-N 121.63 -0.669 . . . . 0.0 111.263 -177.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 598' ' ' CYS . . . . . 0.565 ' SG ' ' N ' ' B' ' 599' ' ' SER . 41.7 t -75.95 -109.88 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.256 -0.902 . . . . 0.0 111.074 -178.472 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 599' ' ' SER . . . . . 0.565 ' N ' ' SG ' ' B' ' 598' ' ' CYS . 29.1 t -44.38 -22.71 0.08 Allowed 'General case' 0 N--CA 1.499 1.977 0 CA-C-O 122.366 1.079 . . . . 0.0 108.914 -179.283 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 600' ' ' GLU . . . . . 0.566 ' CB ' ' H ' ' B' ' 597' ' ' ARG . 16.5 mp0 -45.48 -46.56 13.77 Favored 'General case' 0 C--N 1.297 -1.703 0 CA-C-O 122.829 1.299 . . . . 0.0 109.084 178.565 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 601' ' ' ILE . . . . . 0.541 ' O ' ' N ' ' B' ' 604' ' ' ARG . 2.0 mt -68.16 -30.33 47.55 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.295 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 -178.354 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 602' ' ' TRP . . . . . 0.405 ' C ' ' O ' ' B' ' 601' ' ' ILE . 33.1 t-105 -47.27 -39.56 14.75 Favored 'General case' 0 N--CA 1.494 1.733 0 N-CA-C 107.423 -1.325 . . . . 0.0 107.423 179.225 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 603' ' ' ASP . . . . . 0.443 ' O ' ' OG1' ' B' ' 606' ' ' THR . 29.4 m-20 -64.04 -42.04 97.21 Favored 'General case' 0 C--N 1.305 -1.359 0 N-CA-C 107.138 -1.431 . . . . 0.0 107.138 177.343 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 604' ' ' ARG . . . . . 0.541 ' N ' ' O ' ' B' ' 601' ' ' ILE . 8.6 tpm_? -57.11 -39.65 75.52 Favored 'General case' 0 N--CA 1.496 1.866 0 C-N-CA 119.458 -0.897 . . . . 0.0 108.772 178.487 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 605' ' ' ILE . . . . . 0.429 ' O ' ' N ' ' B' ' 608' ' ' HIS . 43.7 mt -71.04 -47.42 61.72 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.965 0 O-C-N 121.466 -0.771 . . . . 0.0 110.47 179.674 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 606' ' ' THR . . . . . 0.527 ' C ' ' H ' ' B' ' 608' ' ' HIS . 21.3 p -44.97 -37.93 4.35 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.104 -0.997 . . . . 0.0 110.267 -179.065 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 607' ' ' THR . . . . . 0.427 ' OG1' ' O ' ' B' ' 604' ' ' ARG . 62.4 p -60.92 0.12 0.25 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.047 -1.033 . . . . 0.0 109.772 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 608' ' ' HIS . . . . . 0.527 ' H ' ' C ' ' B' ' 606' ' ' THR . 30.0 m170 -112.4 97.21 39.04 Favored Pre-proline 0 N--CA 1.499 1.988 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 179.686 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 609' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -59.12 -30.66 93.77 Favored 'Trans proline' 0 C--N 1.324 -0.733 0 C-N-CA 120.671 0.914 . . . . 0.0 109.961 -178.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 610' ' ' LYS . . . . . 0.526 ' C ' ' H ' ' B' ' 612' ' ' SER . 3.8 mmmm -49.31 -82.85 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.3 -0.875 . . . . 0.0 109.399 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 611' ' ' TYR . . . . . . . . . . . . . 9.6 t80 64.18 -3.65 0.47 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.396 -0.815 . . . . 0.0 109.452 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 612' ' ' SER . . . . . 0.526 ' H ' ' C ' ' B' ' 610' ' ' LYS . 49.6 m -80.97 -78.46 0.18 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.256 -0.903 . . . . 0.0 109.78 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 613' ' ' ASP . . . . . 0.486 ' CG ' ' H ' ' B' ' 614' ' ' ILE . 14.7 p-10 -61.74 -123.22 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.273 -0.892 . . . . 0.0 109.497 -179.801 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 614' ' ' ILE . . . . . 0.486 ' H ' ' CG ' ' B' ' 613' ' ' ASP . 65.6 mt 53.91 165.25 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.725 0 O-C-N 121.459 -0.776 . . . . 0.0 110.376 179.196 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 615' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -128.69 109.92 11.75 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 179.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 616' ' ' VAL . . . . . . . . . . . . . 4.2 p -78.51 -17.58 13.57 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.37 -0.832 . . . . 0.0 109.1 -179.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 617' ' ' ASP . . . . . 0.51 ' O ' ' SG ' ' B' ' 620' ' ' CYS . 3.9 m-20 -75.2 -38.79 60.6 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.401 -0.812 . . . . 0.0 110.342 -179.551 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 618' ' ' GLY . . . . . 0.434 ' O ' ' OE2' ' B' ' 622' ' ' GLU . . . -66.41 -32.67 82.54 Favored Glycine 0 N--CA 1.49 2.294 0 C-N-CA 119.506 -1.33 . . . . 0.0 109.81 -179.646 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 619' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.07 -27.09 64.35 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.077 -1.249 . . . . 0.0 108.37 179.683 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 620' ' ' CYS . . . . . 0.587 ' SG ' ' N ' ' B' ' 621' ' ' SER . 1.4 p -67.69 -48.71 65.83 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.333 -0.854 . . . . 0.0 110.672 -179.541 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 621' ' ' SER . . . . . 0.587 ' N ' ' SG ' ' B' ' 620' ' ' CYS . 29.9 t -82.97 -3.31 57.02 Favored 'General case' 0 N--CA 1.503 2.197 0 O-C-N 120.5 -1.375 . . . . 0.0 110.353 -179.243 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 622' ' ' GLU . . . . . 0.434 ' OE2' ' O ' ' B' ' 618' ' ' GLY . 0.3 OUTLIER -99.39 -40.27 7.97 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.022 -1.049 . . . . 0.0 108.392 177.433 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 623' ' ' LEU . . . . . . . . . . . . . 18.0 mt -86.43 -19.78 29.13 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.996 -1.065 . . . . 0.0 110.661 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 624' ' ' MET . . . . . . . . . . . . . 76.3 mtp -76.73 -28.06 55.66 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 120.627 -1.296 . . . . 0.0 111.779 -177.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 625' ' ' ALA . . . . . 0.419 ' C ' ' N ' ' B' ' 627' ' ' ALA . . . -104.64 -41.15 5.77 Favored 'General case' 0 N--CA 1.505 2.298 0 O-C-N 120.617 -1.302 . . . . 0.0 109.343 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 626' ' ' LYS . . . . . 0.522 ' NZ ' ' OD1' ' B' ' 640' ' ' ASP . 53.0 mtmt -60.78 -14.61 22.55 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 106.512 -1.662 . . . . 0.0 106.512 177.598 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 627' ' ' ALA . . . . . 0.419 ' N ' ' C ' ' B' ' 625' ' ' ALA . . . -44.96 136.88 4.44 Favored 'General case' 0 N--CA 1.491 1.625 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.877 179.53 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 628' ' ' LYS . . . . . . . . . . . . . 80.6 tttt -101.85 92.46 4.83 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 107.311 -1.366 . . . . 0.0 107.311 178.337 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 629' ' ' CYS . . . . . . . . . . . . . 51.0 t -59.98 134.74 57.32 Favored 'General case' 0 N--CA 1.49 1.572 0 CA-C-O 122.557 1.17 . . . . 0.0 112.215 -177.516 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 630' ' ' SER . . . . . . . . . . . . . 6.8 t -141.96 161.04 38.96 Favored 'General case' 0 N--CA 1.492 1.674 0 N-CA-C 107.062 -1.459 . . . . 0.0 107.062 178.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 631' ' ' GLU . . . . . 0.54 ' H ' ' CD ' ' B' ' 631' ' ' GLU . 1.4 pm0 -66.44 -28.3 68.5 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.253 -1.529 . . . . 0.0 109.684 -179.32 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 632' ' ' ARG . . . . . 0.408 HH11 ' HG3' ' B' ' 632' ' ' ARG . 29.0 mtm-85 -74.04 -15.42 61.08 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.9 -1.125 . . . . 0.0 108.213 178.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 633' ' ' GLY . . . . . . . . . . . . . . . 133.62 -174.87 20.54 Favored Glycine 0 N--CA 1.497 2.724 0 N-CA-C 108.442 -1.863 . . . . 0.0 108.442 -179.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 634' ' ' VAL . . . . . . . . . . . . . 7.6 m -79.44 162.18 3.93 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 O-C-N 120.597 -1.531 . . . . 0.0 109.792 179.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 5.3 p -148.5 140.59 18.08 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 O-C-N 120.988 -1.07 . . . . 0.0 108.855 177.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 636' ' ' ILE . . . . . 0.409 HD13 HG23 ' B' ' 636' ' ' ILE . 18.1 mm -118.67 132.91 67.17 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.957 0 O-C-N 121.884 -0.51 . . . . 0.0 110.224 -178.617 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 637' ' ' ASN . . . . . 0.51 ' O ' ' N ' ' B' ' 639' ' ' GLU . 47.6 m-20 -83.95 134.32 34.66 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 107.9 -1.148 . . . . 0.0 107.9 178.12 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 638' ' ' ALA . . . . . 0.406 ' O ' ' CG ' ' B' ' 642' ' ' GLN . . . -46.54 -13.44 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.424 -0.797 . . . . 0.0 110.848 -178.204 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 639' ' ' GLU . . . . . 0.51 ' N ' ' O ' ' B' ' 637' ' ' ASN . 72.0 mt-10 -82.24 -20.93 36.67 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.913 -1.117 . . . . 0.0 110.61 -179.333 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 640' ' ' ASP . . . . . 0.522 ' OD1' ' NZ ' ' B' ' 626' ' ' LYS . 19.2 t0 -85.46 -58.34 2.71 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 120.457 -1.402 . . . . 0.0 107.881 178.121 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 641' ' ' VAL . . . . . 0.481 ' CG1' ' N ' ' B' ' 642' ' ' GLN . 7.8 p -50.12 -47.21 24.67 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 120.788 -1.195 . . . . 0.0 108.562 177.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 642' ' ' GLN . . . . . 0.481 ' N ' ' CG1' ' B' ' 641' ' ' VAL . 17.5 mm100 -57.65 -35.75 70.94 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.008 -1.058 . . . . 0.0 109.572 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 643' ' ' LEU . . . . . . . . . . . . . 61.1 mt -80.67 -23.31 39.72 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.176 -0.952 . . . . 0.0 109.001 178.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 644' ' ' ALA . . . . . . . . . . . . . . . -86.59 -48.16 8.58 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.823 -1.173 . . . . 0.0 108.881 178.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 645' ' ' LEU . . . . . 0.507 ' O ' ' N ' ' B' ' 647' ' ' LYS . 46.9 mt -66.68 -69.73 0.29 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.858 -1.151 . . . . 0.0 109.523 179.42 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 646' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -46.61 -13.57 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.144 -0.972 . . . . 0.0 110.917 -178.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 647' ' ' LYS . . . . . 0.507 ' N ' ' O ' ' B' ' 645' ' ' LEU . 54.6 tttp -99.69 -11.66 20.69 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 120.952 -1.092 . . . . 0.0 110.109 -179.6 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 648' ' ' HIS . . . . . . . . . . . . . 51.4 m-70 -111.17 12.78 21.84 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.344 -0.848 . . . . 0.0 109.52 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 649' ' ' MET . . . . . 0.431 ' O ' ' ND2' ' B' ' 650' ' ' ASN . 12.7 mtt -97.03 125.76 41.7 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.249 -0.907 . . . . 0.0 109.402 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 650' ' ' ASN . . . . . 0.431 ' ND2' ' O ' ' B' ' 649' ' ' MET . 35.4 m120 . . . . . 0 N--CA 1.491 1.616 0 CA-C-O 118.006 -0.997 . . . . 0.0 109.447 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 279' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . 34.6 tp -73.46 -19.01 61.06 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.244 -0.91 . . . . 0.0 109.188 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 281' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -162.33 68.46 0.25 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.179 -0.951 . . . . 0.0 109.489 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 282' ' ' SER . . . . . . . . . . . . . 54.3 p -171.33 89.85 0.12 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.218 -0.926 . . . . 0.0 109.434 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 283' ' ' ASN . . . . . 0.419 ' N ' ' OD1' ' A' ' 283' ' ' ASN . 15.2 p-10 -167.3 154.63 8.8 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.133 -0.979 . . . . 0.0 109.501 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 284' ' ' MET . . . . . . . . . . . . . 24.5 ttt 53.43 66.08 1.33 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.255 -0.903 . . . . 0.0 109.425 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 285' ' ' PHE . . . . . . . . . . . . . 24.3 p90 -75.14 160.92 29.87 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.246 -0.909 . . . . 0.0 109.464 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 286' ' ' SER . . . . . . . . . . . . . 24.9 p 52.14 -165.53 0.06 Allowed 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.253 -0.904 . . . . 0.0 109.424 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 287' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -170.1 -22.46 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.228 -0.92 . . . . 0.0 109.41 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 288' ' ' ASP . . . . . 0.508 ' C ' ' H ' ' A' ' 290' ' ' ASN . 1.0 OUTLIER -67.4 -177.53 0.72 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.356 -0.84 . . . . 0.0 109.502 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 289' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -75.55 29.48 0.1 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.248 -0.908 . . . . 0.0 109.471 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 290' ' ' ASN . . . . . 0.508 ' H ' ' C ' ' A' ' 288' ' ' ASP . 6.4 p30 -66.97 139.89 57.71 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.266 -0.896 . . . . 0.0 109.571 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 291' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -68.97 -43.61 74.59 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.295 -0.878 . . . . 0.0 109.462 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 292' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -169.74 36.78 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.177 -0.952 . . . . 0.0 109.417 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 293' ' ' ASN . . . . . 0.514 ' ND2' ' CD1' ' A' ' 295' ' ' PHE . 57.7 t30 -65.46 142.64 58.09 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.162 -0.961 . . . . 0.0 109.409 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 294' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -66.23 -112.96 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.206 -0.934 . . . . 0.0 109.4 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 295' ' ' PHE . . . . . 0.514 ' CD1' ' ND2' ' A' ' 293' ' ' ASN . 78.6 m-85 50.79 61.78 3.05 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.16 -0.962 . . . . 0.0 109.588 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -72.77 39.44 0.08 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.362 -0.836 . . . . 0.0 109.293 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 297' ' ' GLU . . . . . 0.516 ' O ' ' N ' ' A' ' 299' ' ' VAL . 65.0 mt-10 -83.64 -59.89 2.29 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.268 -0.895 . . . . 0.0 109.491 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 298' ' ' GLN . . . . . 0.41 ' OE1' ' CG1' ' A' ' 299' ' ' VAL . 3.6 tm0? 66.97 -48.27 0.47 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.549 -0.719 . . . . 0.0 109.233 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 299' ' ' VAL . . . . . 0.516 ' N ' ' O ' ' A' ' 297' ' ' GLU . 5.4 p -173.28 106.32 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 CA-C-O 122.342 1.068 . . . . 0.0 109.399 179.533 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 300' ' ' SER . . . . . 0.553 ' O ' ' N ' ' A' ' 304' ' ' SER . 2.2 m 160.74 23.13 0.0 OUTLIER 'General case' 0 C--N 1.295 -1.773 0 CA-C-N 114.927 -1.033 . . . . 0.0 108.37 179.746 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 301' ' ' GLU . . . . . 0.458 ' C ' ' O ' ' A' ' 300' ' ' SER . 56.7 mt-10 -45.76 -24.91 0.42 Allowed 'General case' 0 N--CA 1.493 1.714 0 N-CA-C 106.414 -1.698 . . . . 0.0 106.414 178.089 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 302' ' ' PHE . . . . . 0.519 ' N ' ' C ' ' A' ' 300' ' ' SER . 38.6 t80 -75.18 -63.55 1.25 Allowed 'General case' 0 C--N 1.304 -1.385 0 CA-C-N 114.276 -1.329 . . . . 0.0 109.578 178.362 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 303' ' ' CYS . . . . . . . . . . . . . 66.3 m -70.96 -45.01 64.85 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.081 -1.012 . . . . 0.0 109.543 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 304' ' ' SER . . . . . 0.553 ' N ' ' O ' ' A' ' 300' ' ' SER . 42.2 t -53.97 -26.33 25.28 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.429 -0.795 . . . . 0.0 111.587 -178.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . 24.6 mtpp -97.13 -13.68 22.0 Favored 'General case' 0 N--CA 1.507 2.389 0 O-C-N 120.828 -1.17 . . . . 0.0 108.317 178.282 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 306' ' ' MET . . . . . . . . . . . . . 6.0 mmt -72.71 -26.07 61.46 Favored 'General case' 0 C--N 1.295 -1.766 0 N-CA-C 107.327 -1.361 . . . . 0.0 107.327 177.232 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 307' ' ' ASN . . . . . 0.438 ' O ' ' N ' ' A' ' 310' ' ' CYS . 30.5 t30 -84.65 -39.2 18.91 Favored 'General case' 0 N--CA 1.492 1.675 0 N-CA-C 106.673 -1.603 . . . . 0.0 106.673 179.521 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 308' ' ' GLN . . . . . 0.543 ' O ' ' N ' ' A' ' 310' ' ' CYS . 43.6 mm-40 -37.17 -40.14 0.3 Allowed 'General case' 0 N--CA 1.506 2.336 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 178.444 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 309' ' ' VAL . . . . . . . . . . . . . 11.0 t -46.82 -12.66 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.874 0 CA-C-O 121.361 0.601 . . . . 0.0 109.729 179.283 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 310' ' ' CYS . . . . . 0.543 ' N ' ' O ' ' A' ' 308' ' ' GLN . 3.1 t -76.61 -59.9 2.58 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.417 -0.802 . . . . 0.0 109.314 179.476 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 311' ' ' GLY . . . . . . . . . . . . . . . -83.0 117.53 4.43 Favored Glycine 0 N--CA 1.493 2.453 0 N-CA-C 109.547 -1.421 . . . . 0.0 109.547 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 312' ' ' THR . . . . . . . . . . . . . 34.6 m -76.91 90.22 3.51 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.187 -1.184 . . . . 0.0 109.493 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 313' ' ' ARG . . . . . . . . . . . . . 42.2 ttp180 . . . . . 0 N--CA 1.489 1.506 0 CA-C-O 118.0 -1.0 . . . . 0.0 109.464 179.999 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 565' ' ' ASN . . . . . 0.402 ' N ' ' OD1' ' B' ' 565' ' ' ASN . 17.6 p-10 . . . . . 0 N--CA 1.49 1.563 0 CA-C-O 121.264 0.554 . . . . 0.0 109.53 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 566' ' ' GLY . . . . . . . . . . . . . . . -62.35 -34.95 90.87 Favored Glycine 0 N--CA 1.49 2.236 0 N-CA-C 109.598 -1.401 . . . . 0.0 109.598 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 567' ' ' SER . . . . . . . . . . . . . 77.5 p -171.43 -22.58 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.222 -1.163 . . . . 0.0 109.456 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 568' ' ' SER . . . . . 0.493 ' C ' ' H ' ' B' ' 570' ' ' GLN . 54.3 m -75.34 84.57 2.48 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.206 -0.933 . . . . 0.0 109.507 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 569' ' ' LEU . . . . . . . . . . . . . 14.8 mt -73.98 18.15 0.15 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.268 -0.895 . . . . 0.0 109.446 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 570' ' ' GLN . . . . . 0.493 ' H ' ' C ' ' B' ' 568' ' ' SER . 77.8 mt-30 -61.7 120.56 10.88 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.225 -0.922 . . . . 0.0 109.398 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 571' ' ' ASN . . . . . 0.413 ' O ' ' O ' ' B' ' 570' ' ' GLN . 12.7 m120 52.8 98.44 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.306 -0.871 . . . . 0.0 109.433 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -165.8 33.6 0.05 Allowed 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.312 -0.867 . . . . 0.0 109.416 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 573' ' ' ASP . . . . . 0.451 ' C ' ' H ' ' B' ' 575' ' ' ILE . 71.9 m-20 -67.04 177.55 1.7 Allowed 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.247 -0.908 . . . . 0.0 109.389 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 574' ' ' LYS . . . . . . . . . . . . . 21.4 pttm -71.84 9.21 0.95 Allowed 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.267 -0.896 . . . . 0.0 109.509 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 575' ' ' ILE . . . . . 0.451 ' H ' ' C ' ' B' ' 573' ' ' ASP . 6.0 tp -170.11 133.48 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.164 -0.96 . . . . 0.0 109.203 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 576' ' ' ASN . . . . . . . . . . . . . 10.4 p-10 -80.75 134.98 35.91 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.291 -0.881 . . . . 0.0 109.477 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 577' ' ' ASN . . . . . . . . . . . . . 70.3 m-80 -74.12 120.39 19.63 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.201 -0.937 . . . . 0.0 109.399 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 578' ' ' GLY . . . . . . . . . . . . . . . 178.13 119.68 0.61 Allowed Glycine 0 N--CA 1.49 2.246 0 N-CA-C 109.396 -1.481 . . . . 0.0 109.396 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 579' ' ' ASN . . . . . . . . . . . . . 60.6 m-80 -70.8 78.2 0.62 Allowed 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.181 -1.188 . . . . 0.0 109.485 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 580' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 52.69 77.84 0.15 Allowed 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.211 -0.93 . . . . 0.0 109.343 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 581' ' ' ASN . . . . . . . . . . . . . 30.8 m120 -65.7 -155.47 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.164 -0.96 . . . . 0.0 109.417 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 582' ' ' ASP . . . . . 0.499 ' C ' ' H ' ' B' ' 584' ' ' ASP . 36.7 t0 -169.47 164.77 10.55 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.218 -0.926 . . . . 0.0 109.379 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 583' ' ' ASN . . . . . 0.438 HD21 ' H ' ' B' ' 583' ' ' ASN . 2.1 m-80 -73.35 15.37 0.24 Allowed 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.256 -0.902 . . . . 0.0 109.483 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 584' ' ' ASP . . . . . 0.499 ' H ' ' C ' ' B' ' 582' ' ' ASP . 7.2 p-10 -170.64 55.04 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.23 -0.919 . . . . 0.0 109.525 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 585' ' ' ASN . . . . . 0.458 ' CG ' ' H ' ' B' ' 586' ' ' ASP . 26.7 t-20 -64.67 175.98 1.28 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.262 -0.899 . . . . 0.0 109.403 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 586' ' ' ASP . . . . . 0.458 ' H ' ' CG ' ' B' ' 585' ' ' ASN . 7.2 p-10 -77.16 53.36 0.98 Allowed 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.201 -0.937 . . . . 0.0 109.37 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 587' ' ' VAL . . . . . . . . . . . . . 3.8 t -74.42 -121.88 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 O-C-N 121.22 -0.925 . . . . 0.0 109.487 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 588' ' ' VAL . . . . . 0.642 ' N ' ' CD ' ' B' ' 589' ' ' PRO . 10.7 p -92.25 -19.64 0.24 Allowed Pre-proline 0 N--CA 1.5 2.039 0 N-CA-C 114.117 1.154 . . . . 0.0 114.117 -178.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 589' ' ' PRO . . . . . 0.642 ' CD ' ' N ' ' B' ' 588' ' ' VAL . 3.1 Cg_exo -65.49 -178.1 0.83 Allowed 'Trans proline' 0 C--O 1.215 -0.653 0 CA-C-N 120.68 1.279 . . . . 0.0 109.63 -179.479 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 590' ' ' SER . . . . . 0.431 ' O ' ' O ' ' B' ' 591' ' ' LYS . 35.2 t -150.57 35.29 0.63 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.265 -0.897 . . . . 0.0 109.47 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 591' ' ' LYS . . . . . 0.431 ' O ' ' O ' ' B' ' 590' ' ' SER . 20.6 pttp 36.53 -156.9 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.084 0 CA-C-O 121.237 0.541 . . . . 0.0 110.731 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 592' ' ' GLU . . . . . 0.422 ' O ' ' O ' ' B' ' 591' ' ' LYS . 12.0 mm-40 -60.99 -150.13 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.186 -0.946 . . . . 0.0 109.318 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 593' ' ' GLY . . . . . . . . . . . . . . . -156.31 126.72 1.85 Allowed Glycine 0 N--CA 1.492 2.402 0 N-CA-C 109.421 -1.471 . . . . 0.0 109.421 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 594' ' ' SER . . . . . . . . . . . . . 62.8 m -69.62 166.71 18.47 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.319 -1.107 . . . . 0.0 110.015 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 595' ' ' LEU . . . . . 0.515 ' CD1' ' N ' ' B' ' 595' ' ' LEU . 8.2 mp -90.19 118.27 29.58 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 179.812 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 596' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -128.06 146.55 50.64 Favored 'General case' 0 N--CA 1.501 2.087 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 597' ' ' ARG . . . . . 0.403 ' CG ' HH11 ' B' ' 597' ' ' ARG . 0.0 OUTLIER -78.92 -169.22 1.71 Allowed 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.361 -0.837 . . . . 0.0 109.847 -179.507 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 598' ' ' CYS . . . . . 0.519 ' O ' ' N ' ' B' ' 600' ' ' GLU . 1.8 p -65.41 -92.36 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.516 -0.74 . . . . 0.0 110.701 -178.688 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 14.2 t -45.04 -18.04 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.861 0 CA-C-O 121.957 0.884 . . . . 0.0 109.439 -179.404 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 600' ' ' GLU . . . . . 0.519 ' N ' ' O ' ' B' ' 598' ' ' CYS . 6.7 tm-20 -48.01 -41.63 26.03 Favored 'General case' 0 C--N 1.302 -1.472 0 CA-C-O 122.675 1.226 . . . . 0.0 108.564 179.333 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 601' ' ' ILE . . . . . 0.535 ' O ' ' N ' ' B' ' 604' ' ' ARG . 1.0 OUTLIER -66.34 -35.78 75.77 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.083 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 -178.269 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 602' ' ' TRP . . . . . 0.403 ' C ' ' O ' ' B' ' 601' ' ' ILE . 15.5 t-105 -44.99 -40.55 6.56 Favored 'General case' 0 N--CA 1.494 1.75 0 N-CA-C 108.061 -1.089 . . . . 0.0 108.061 179.81 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 603' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -65.13 -41.88 94.41 Favored 'General case' 0 C--N 1.304 -1.411 0 N-CA-C 107.721 -1.215 . . . . 0.0 107.721 177.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 604' ' ' ARG . . . . . 0.535 ' N ' ' O ' ' B' ' 601' ' ' ILE . 15.7 tpt180 -58.6 -33.48 70.06 Favored 'General case' 0 N--CA 1.497 1.921 0 CA-C-O 121.844 0.83 . . . . 0.0 109.464 179.108 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 605' ' ' ILE . . . . . . . . . . . . . 85.7 mt -80.05 -48.33 20.44 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.784 0 O-C-N 121.792 -0.567 . . . . 0.0 111.109 -179.381 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 606' ' ' THR . . . . . 0.42 ' C ' ' H ' ' B' ' 608' ' ' HIS . 35.1 p -53.3 -35.81 60.52 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 120.518 -1.364 . . . . 0.0 110.611 -178.825 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 607' ' ' THR . . . . . . . . . . . . . 6.7 t -77.52 25.8 0.18 Allowed 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.897 -1.127 . . . . 0.0 110.59 -179.087 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 608' ' ' HIS . . . . . 0.526 ' CE1' ' O ' ' B' ' 604' ' ' ARG . 4.2 m-70 -118.64 84.37 24.39 Favored Pre-proline 0 N--CA 1.503 2.217 0 O-C-N 121.259 -0.901 . . . . 0.0 110.062 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 609' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_exo -62.69 67.23 0.13 Allowed 'Trans proline' 0 C--N 1.323 -0.811 0 C-N-CA 121.331 1.354 . . . . 0.0 109.544 179.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 610' ' ' LYS . . . . . 0.525 ' N ' ' O ' ' B' ' 608' ' ' HIS . 18.9 pttp -178.22 41.78 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.175 -0.953 . . . . 0.0 109.334 179.68 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 611' ' ' TYR . . . . . 0.54 ' O ' ' N ' ' B' ' 613' ' ' ASP . 13.0 m-85 -47.6 -54.39 11.96 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.063 -1.023 . . . . 0.0 108.973 179.776 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 612' ' ' SER . . . . . . . . . . . . . 6.1 t 60.19 -74.57 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.508 -0.745 . . . . 0.0 109.881 179.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 613' ' ' ASP . . . . . 0.54 ' N ' ' O ' ' B' ' 611' ' ' TYR . 17.5 t70 -163.42 78.09 0.42 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.287 -0.883 . . . . 0.0 109.296 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 614' ' ' ILE . . . . . . . . . . . . . 16.8 mm -80.62 166.62 2.38 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 121.284 -0.885 . . . . 0.0 109.765 -179.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 615' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -130.94 106.58 8.51 Favored 'General case' 0 N--CA 1.491 1.614 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 179.165 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 616' ' ' VAL . . . . . . . . . . . . . 13.1 m -80.57 -16.97 12.54 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 CA-C-O 121.627 0.727 . . . . 0.0 109.356 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 617' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -68.5 -43.97 75.72 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.29 -0.881 . . . . 0.0 110.217 -179.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 618' ' ' GLY . . . . . 0.436 ' O ' ' OE2' ' B' ' 622' ' ' GLU . . . -65.46 -37.64 93.98 Favored Glycine 0 N--CA 1.489 2.225 0 N-CA-C 110.003 -1.239 . . . . 0.0 110.003 -179.493 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 619' ' ' LEU . . . . . . . . . . . . . 4.4 mt -64.09 -22.42 66.93 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.104 -1.233 . . . . 0.0 108.064 179.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 620' ' ' CYS . . . . . . . . . . . . . 11.3 t -69.51 -53.58 18.41 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.558 -0.714 . . . . 0.0 110.849 -179.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 34.8 t -82.46 -1.59 50.7 Favored 'General case' 0 N--CA 1.502 2.128 0 O-C-N 120.562 -1.336 . . . . 0.0 110.531 -179.167 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 622' ' ' GLU . . . . . 0.436 ' OE2' ' O ' ' B' ' 618' ' ' GLY . 0.4 OUTLIER -99.14 -47.72 5.11 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.045 -1.034 . . . . 0.0 109.107 178.128 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 623' ' ' LEU . . . . . . . . . . . . . 9.1 mp -86.24 -19.71 29.56 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 120.85 -1.156 . . . . 0.0 110.706 -179.204 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 624' ' ' MET . . . . . . . . . . . . . 24.5 ttt -71.46 -28.23 63.81 Favored 'General case' 0 N--CA 1.502 2.133 0 O-C-N 120.763 -1.211 . . . . 0.0 111.716 -178.437 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 625' ' ' ALA . . . . . . . . . . . . . . . -103.73 -3.39 25.08 Favored 'General case' 0 N--CA 1.506 2.361 0 O-C-N 120.746 -1.221 . . . . 0.0 109.288 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 626' ' ' LYS . . . . . 0.438 ' O ' ' NZ ' ' B' ' 628' ' ' LYS . 32.0 mmtm -96.38 -15.32 21.9 Favored 'General case' 0 N--CA 1.494 1.734 0 N-CA-C 106.879 -1.526 . . . . 0.0 106.879 176.524 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 627' ' ' ALA . . . . . . . . . . . . . . . -48.48 145.95 3.2 Favored 'General case' 0 N--CA 1.493 1.691 0 CA-C-O 121.478 0.656 . . . . 0.0 110.954 -179.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 628' ' ' LYS . . . . . 0.438 ' NZ ' ' O ' ' B' ' 626' ' ' LYS . 40.5 mmtm -123.94 89.79 3.15 Favored 'General case' 0 N--CA 1.497 1.925 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 179.422 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 629' ' ' CYS . . . . . . . . . . . . . 18.0 t -48.83 118.31 2.51 Favored 'General case' 0 N--CA 1.494 1.741 0 CA-C-O 122.249 1.024 . . . . 0.0 111.12 -178.595 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 630' ' ' SER . . . . . . . . . . . . . 13.1 t -142.93 161.86 37.0 Favored 'General case' 0 N--CA 1.495 1.811 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 178.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 631' ' ' GLU . . . . . 0.556 ' C ' ' H ' ' B' ' 633' ' ' GLY . 63.1 tt0 -63.35 -29.75 71.0 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.546 -1.346 . . . . 0.0 109.202 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 16.4 mmt180 -79.75 32.78 0.25 Allowed 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 107.548 -1.278 . . . . 0.0 107.548 178.041 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 633' ' ' GLY . . . . . 0.556 ' H ' ' C ' ' B' ' 631' ' ' GLU . . . 74.77 -171.52 53.49 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 108.296 -1.922 . . . . 0.0 108.296 -178.72 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 634' ' ' VAL . . . . . . . . . . . . . 30.8 m -77.47 140.62 16.77 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 O-C-N 120.796 -1.414 . . . . 0.0 109.689 179.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 18.3 m -127.91 133.72 66.74 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.384 0 O-C-N 121.097 -1.002 . . . . 0.0 108.766 178.352 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 636' ' ' ILE . . . . . . . . . . . . . 4.2 mt -125.32 156.46 34.49 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.877 0 CA-C-O 121.339 0.59 . . . . 0.0 109.953 -178.373 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 637' ' ' ASN . . . . . 0.527 ' O ' ' N ' ' B' ' 639' ' ' GLU . 4.1 m-80 -89.58 121.92 32.24 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.19 -0.944 . . . . 0.0 109.033 179.207 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -47.6 -10.4 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.617 -0.677 . . . . 0.0 110.242 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 639' ' ' GLU . . . . . 0.527 ' N ' ' O ' ' B' ' 637' ' ' ASN . 41.0 tt0 -77.11 -20.31 55.83 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.9 -1.125 . . . . 0.0 109.685 179.623 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 640' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -87.97 -44.94 10.64 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 120.564 -1.335 . . . . 0.0 108.598 177.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 641' ' ' VAL . . . . . . . . . . . . . 1.8 m -65.22 -32.76 59.67 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 121.031 -1.043 . . . . 0.0 108.918 178.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 642' ' ' GLN . . . . . . . . . . . . . 21.6 tp60 -72.61 -32.97 66.36 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.209 -0.932 . . . . 0.0 109.21 179.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 643' ' ' LEU . . . . . . . . . . . . . 89.2 mt -83.97 -21.94 31.6 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.212 -0.93 . . . . 0.0 108.761 178.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 644' ' ' ALA . . . . . . . . . . . . . . . -87.74 -36.26 17.45 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.085 -1.01 . . . . 0.0 108.791 178.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 645' ' ' LEU . . . . . . . . . . . . . 18.8 mt -77.59 -24.46 49.68 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.293 -0.88 . . . . 0.0 109.2 179.079 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 646' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -91.95 -8.15 47.04 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.912 -1.118 . . . . 0.0 109.882 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 647' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -104.79 -10.07 17.65 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.359 -0.838 . . . . 0.0 109.401 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 648' ' ' HIS . . . . . . . . . . . . . 23.3 m-70 -112.33 7.21 19.19 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.508 -0.745 . . . . 0.0 109.461 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 649' ' ' MET . . . . . . . . . . . . . 25.5 mmm -96.19 103.09 14.97 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.238 -0.914 . . . . 0.0 109.227 179.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 650' ' ' ASN . . . . . . . . . . . . . 14.0 m120 . . . . . 0 N--CA 1.489 1.509 0 CA-C-O 118.087 -0.959 . . . . 0.0 109.471 179.955 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 279' ' ' ASN . . . . . 0.626 HD21 ' N ' ' A' ' 279' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 280' ' ' LEU . . . . . 0.53 ' CD2' ' N ' ' A' ' 280' ' ' LEU . 3.5 mm? -70.48 -61.54 1.73 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.337 -0.852 . . . . 0.0 109.21 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 281' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -67.84 83.26 0.2 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.282 -0.886 . . . . 0.0 109.513 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 282' ' ' SER . . . . . 0.425 ' O ' ' O ' ' A' ' 283' ' ' ASN . 49.1 m -62.97 169.28 3.39 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.214 -0.929 . . . . 0.0 109.42 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 283' ' ' ASN . . . . . 0.425 ' O ' ' O ' ' A' ' 282' ' ' SER . 49.8 t-20 53.96 100.39 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.236 -0.915 . . . . 0.0 109.464 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 284' ' ' MET . . . . . 0.502 ' SD ' ' O ' ' A' ' 285' ' ' PHE . 12.2 tmm? -162.61 97.67 0.98 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.221 -0.924 . . . . 0.0 109.392 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 285' ' ' PHE . . . . . 0.502 ' O ' ' SD ' ' A' ' 284' ' ' MET . 97.0 m-85 -58.48 -179.49 0.06 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.366 -0.834 . . . . 0.0 109.603 -179.73 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 286' ' ' SER . . . . . 0.426 ' OG ' ' N ' ' A' ' 287' ' ' ASN . 92.5 p -47.95 -73.87 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.27 -0.893 . . . . 0.0 109.718 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 287' ' ' ASN . . . . . 0.426 ' N ' ' OG ' ' A' ' 286' ' ' SER . 11.0 m120 -157.64 -86.0 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.255 -0.903 . . . . 0.0 109.436 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 288' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -62.96 157.75 21.0 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.273 -0.892 . . . . 0.0 109.471 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 289' ' ' PHE . . . . . . . . . . . . . 93.4 t80 -68.06 -62.17 1.52 Allowed 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.265 -0.897 . . . . 0.0 109.451 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 290' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -166.64 125.82 1.49 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.227 -0.921 . . . . 0.0 109.418 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 291' ' ' PHE . . . . . 0.507 ' O ' ' CD2' ' A' ' 291' ' ' PHE . 67.7 t80 -169.25 0.68 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.25 -0.906 . . . . 0.0 109.456 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 292' ' ' GLU . . . . . . . . . . . . . 18.8 tp10 -166.02 89.17 0.4 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.202 -0.936 . . . . 0.0 109.514 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 293' ' ' ASN . . . . . 0.414 ' CG ' ' H ' ' A' ' 294' ' ' GLN . 58.5 t-20 53.91 -124.37 2.22 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.219 -0.925 . . . . 0.0 109.512 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 294' ' ' GLN . . . . . 0.436 ' O ' ' CG ' ' A' ' 295' ' ' PHE . 60.0 tt0 -169.39 162.16 10.17 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.295 -0.878 . . . . 0.0 109.324 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 295' ' ' PHE . . . . . 0.436 ' CG ' ' O ' ' A' ' 294' ' ' GLN . 78.3 m-85 -154.72 -167.08 2.49 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.268 -0.895 . . . . 0.0 109.241 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -158.46 86.74 0.87 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.255 -0.903 . . . . 0.0 109.542 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 297' ' ' GLU . . . . . 0.467 ' N ' ' CD ' ' A' ' 297' ' ' GLU . 10.2 mp0 49.98 -145.4 0.45 Allowed 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.24 -0.912 . . . . 0.0 109.493 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 298' ' ' GLN . . . . . . . . . . . . . 8.9 tp-100 -162.51 -46.28 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.293 -0.879 . . . . 0.0 109.532 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 299' ' ' VAL . . . . . 0.42 ' CG2' ' H ' ' A' ' 300' ' ' SER . 2.4 m -70.26 -106.14 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 121.249 -0.907 . . . . 0.0 109.345 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 300' ' ' SER . . . . . 0.42 ' H ' ' CG2' ' A' ' 299' ' ' VAL . 3.9 t 60.89 -128.09 0.9 Allowed 'General case' 0 C--N 1.303 -1.443 0 C-N-CA 119.935 -0.706 . . . . 0.0 110.544 178.696 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 301' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -44.47 -27.93 0.51 Allowed 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.607 -0.683 . . . . 0.0 109.276 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 302' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -63.36 -62.65 1.54 Allowed 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 303' ' ' CYS . . . . . . . . . . . . . 78.8 m -80.64 -49.38 11.33 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.429 -0.794 . . . . 0.0 110.135 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 9.2 p -48.09 -25.96 1.65 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.402 -0.811 . . . . 0.0 110.807 -178.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . 23.9 mtpp -104.2 -14.7 15.74 Favored 'General case' 0 N--CA 1.504 2.235 0 O-C-N 121.04 -1.037 . . . . 0.0 108.773 178.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 306' ' ' MET . . . . . . . . . . . . . 26.7 tpp -72.46 -25.64 61.52 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 107.013 -1.477 . . . . 0.0 107.013 176.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 307' ' ' ASN . . . . . 0.469 ' O ' ' N ' ' A' ' 310' ' ' CYS . 30.2 t30 -85.87 -41.46 14.95 Favored 'General case' 0 N--CA 1.494 1.768 0 N-CA-C 106.439 -1.689 . . . . 0.0 106.439 178.333 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 308' ' ' GLN . . . . . 0.529 ' O ' ' N ' ' A' ' 310' ' ' CYS . 42.8 tt0 -35.19 -37.11 0.07 Allowed 'General case' 0 N--CA 1.505 2.286 0 CA-C-O 121.458 0.647 . . . . 0.0 109.416 178.806 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 309' ' ' VAL . . . . . 0.417 ' N ' ' O ' ' A' ' 307' ' ' ASN . 21.6 t -47.8 -13.78 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.879 0 O-C-N 121.346 -0.847 . . . . 0.0 109.051 178.748 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 310' ' ' CYS . . . . . 0.529 ' N ' ' O ' ' A' ' 308' ' ' GLN . 1.8 m -84.24 -17.06 41.02 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.482 -0.761 . . . . 0.0 109.242 179.72 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 311' ' ' GLY . . . . . . . . . . . . . . . -79.38 150.12 33.0 Favored Glycine 0 N--CA 1.489 2.229 0 N-CA-C 109.4 -1.48 . . . . 0.0 109.4 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 312' ' ' THR . . . . . . . . . . . . . 40.5 p -77.02 105.89 8.38 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.227 -1.16 . . . . 0.0 109.491 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 313' ' ' ARG . . . . . 0.401 HH11 ' HG3' ' A' ' 313' ' ' ARG . 13.0 mmm-85 . . . . . 0 N--CA 1.491 1.597 0 CA-C-O 117.991 -1.004 . . . . 0.0 109.412 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 565' ' ' ASN . . . . . . . . . . . . . 8.7 m120 . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 566' ' ' GLY . . . . . . . . . . . . . . . 178.48 25.66 0.04 OUTLIER Glycine 0 N--CA 1.489 2.223 0 N-CA-C 109.641 -1.383 . . . . 0.0 109.641 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 567' ' ' SER . . . . . . . . . . . . . 79.7 p -67.64 -104.33 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.213 -1.169 . . . . 0.0 109.387 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 568' ' ' SER . . . . . . . . . . . . . 49.0 m -73.97 49.81 0.34 Allowed 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.183 -0.948 . . . . 0.0 109.381 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 569' ' ' LEU . . . . . . . . . . . . . 34.0 tp -64.31 123.53 19.4 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.211 -0.931 . . . . 0.0 109.279 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 570' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -168.16 -75.82 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.217 -0.927 . . . . 0.0 109.526 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 571' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -71.36 -79.72 0.07 Allowed 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.271 -0.893 . . . . 0.0 109.492 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . 52.22 -178.96 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.215 -0.928 . . . . 0.0 109.454 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 573' ' ' ASP . . . . . . . . . . . . . 43.6 m-20 52.74 83.05 0.07 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.189 -0.944 . . . . 0.0 109.507 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 574' ' ' LYS . . . . . . . . . . . . . 46.1 mtmt -69.02 132.62 46.94 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.231 -0.918 . . . . 0.0 109.484 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 575' ' ' ILE . . . . . . . . . . . . . 16.0 mm -65.65 113.33 2.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.283 -0.885 . . . . 0.0 109.41 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 576' ' ' ASN . . . . . . . . . . . . . 33.8 m120 -65.62 126.79 29.46 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.144 -0.973 . . . . 0.0 109.534 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 577' ' ' ASN . . . . . . . . . . . . . 72.3 m-80 -63.94 166.95 6.75 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.231 -0.918 . . . . 0.0 109.46 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 578' ' ' GLY . . . . . . . . . . . . . . . 179.45 -172.37 44.26 Favored Glycine 0 N--CA 1.489 2.177 0 N-CA-C 109.43 -1.468 . . . . 0.0 109.43 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 579' ' ' ASN . . . . . 0.536 ' O ' ' N ' ' B' ' 581' ' ' ASN . 26.8 m120 -157.18 -155.12 0.5 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.203 -1.174 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 580' ' ' ASP . . . . . 0.432 ' O ' ' O ' ' B' ' 581' ' ' ASN . 5.4 m-20 60.85 -74.85 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.461 -0.774 . . . . 0.0 109.845 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 581' ' ' ASN . . . . . 0.536 ' N ' ' O ' ' B' ' 579' ' ' ASN . 8.2 m-80 55.23 103.16 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.127 -0.983 . . . . 0.0 109.54 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 582' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 54.18 -127.57 2.32 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.162 -0.961 . . . . 0.0 109.606 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 583' ' ' ASN . . . . . . . . . . . . . 48.3 t30 -162.2 89.09 0.69 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.222 -0.924 . . . . 0.0 109.481 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 584' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -66.2 92.39 0.18 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.253 -0.905 . . . . 0.0 109.424 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 585' ' ' ASN . . . . . . . . . . . . . 14.8 p-10 -71.07 125.02 25.77 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.224 -0.923 . . . . 0.0 109.441 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 586' ' ' ASP . . . . . 0.505 ' C ' ' H ' ' B' ' 588' ' ' VAL . 66.2 m-20 -67.21 -172.44 0.21 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.291 -0.88 . . . . 0.0 109.458 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 587' ' ' VAL . . . . . . . . . . . . . 2.8 t -74.43 12.92 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.184 -0.947 . . . . 0.0 109.149 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 588' ' ' VAL . . . . . 0.505 ' H ' ' C ' ' B' ' 586' ' ' ASP . 13.5 t 53.44 67.47 3.66 Favored Pre-proline 0 C--N 1.297 -1.708 0 O-C-N 121.632 -0.667 . . . . 0.0 109.704 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 589' ' ' PRO . . . . . 0.427 ' O ' ' O ' ' B' ' 590' ' ' SER . 2.2 Cg_endo -62.55 154.17 66.56 Favored 'Trans proline' 0 C--N 1.318 -1.074 0 C-N-CA 121.392 1.395 . . . . 0.0 109.859 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 590' ' ' SER . . . . . 0.427 ' O ' ' O ' ' B' ' 589' ' ' PRO . 13.5 m 53.63 100.46 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.291 -0.881 . . . . 0.0 109.537 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 591' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -65.3 93.17 0.13 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.307 -0.87 . . . . 0.0 109.521 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 17.4 tp10 -63.74 117.51 6.99 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.261 -0.9 . . . . 0.0 109.585 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 593' ' ' GLY . . . . . . . . . . . . . . . 154.41 117.09 0.61 Allowed Glycine 0 N--CA 1.492 2.413 0 N-CA-C 109.325 -1.51 . . . . 0.0 109.325 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 594' ' ' SER . . . . . . . . . . . . . 67.6 m -79.93 165.94 22.14 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.146 -1.208 . . . . 0.0 110.262 -179.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 595' ' ' LEU . . . . . 0.523 ' CD2' ' N ' ' B' ' 595' ' ' LEU . 3.7 mm? -96.15 126.9 41.69 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 179.588 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 596' ' ' LEU . . . . . . . . . . . . . 1.6 mp -129.27 150.58 50.59 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.25 -0.906 . . . . 0.0 109.781 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 597' ' ' ARG . . . . . 0.509 HH11 ' CG ' ' B' ' 597' ' ' ARG . 0.0 OUTLIER -94.26 -161.25 0.84 Allowed 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.398 -0.814 . . . . 0.0 110.27 -178.896 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 598' ' ' CYS . . . . . . . . . . . . . 2.7 p -71.1 -84.95 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.398 -0.813 . . . . 0.0 110.176 -179.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 599' ' ' SER . . . . . 0.459 ' O ' ' N ' ' B' ' 602' ' ' TRP . 1.1 p -45.6 -29.35 1.18 Allowed 'General case' 0 N--CA 1.496 1.874 0 CA-C-O 122.342 1.068 . . . . 0.0 108.778 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 600' ' ' GLU . . . . . . . . . . . . . 25.1 tp10 -47.78 -38.05 14.81 Favored 'General case' 0 C--N 1.303 -1.431 0 CA-C-O 122.548 1.166 . . . . 0.0 108.342 179.295 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 601' ' ' ILE . . . . . 0.592 ' O ' ' N ' ' B' ' 604' ' ' ARG . 1.3 mp -68.86 -34.6 65.27 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.109 0 N-CA-C 107.601 -1.259 . . . . 0.0 107.601 -178.722 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 602' ' ' TRP . . . . . 0.459 ' N ' ' O ' ' B' ' 599' ' ' SER . 54.4 t-105 -44.15 -36.82 2.8 Favored 'General case' 0 N--CA 1.494 1.754 0 N-CA-C 107.397 -1.335 . . . . 0.0 107.397 179.481 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 603' ' ' ASP . . . . . 0.435 ' O ' ' OG1' ' B' ' 606' ' ' THR . 27.5 t70 -68.66 -42.85 77.33 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 107.633 -1.247 . . . . 0.0 107.633 177.355 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 604' ' ' ARG . . . . . 0.592 ' N ' ' O ' ' B' ' 601' ' ' ILE . 10.8 mmt-85 -56.56 -39.9 74.25 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.151 -0.968 . . . . 0.0 109.223 178.774 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 605' ' ' ILE . . . . . . . . . . . . . 10.4 mm -66.07 -47.61 84.37 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.075 0 O-C-N 121.357 -0.84 . . . . 0.0 110.345 179.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 606' ' ' THR . . . . . 0.435 ' OG1' ' O ' ' B' ' 603' ' ' ASP . 37.8 p -48.12 -41.78 27.43 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.896 -1.127 . . . . 0.0 109.971 -179.33 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 607' ' ' THR . . . . . 0.425 ' OG1' ' O ' ' B' ' 604' ' ' ARG . 44.6 p -44.85 -59.12 2.7 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.169 -0.957 . . . . 0.0 110.369 -179.562 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 608' ' ' HIS . . . . . . . . . . . . . 70.1 m80 -59.67 131.22 88.53 Favored Pre-proline 0 N--CA 1.491 1.599 0 O-C-N 121.051 -1.03 . . . . 0.0 109.174 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 609' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_endo -63.0 -79.55 0.01 OUTLIER 'Trans proline' 0 CA--C 1.537 0.653 0 N-CA-C 109.737 -0.909 . . . . 0.0 109.737 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 610' ' ' LYS . . . . . . . . . . . . . 25.3 pttt -84.66 82.85 8.24 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.303 -0.873 . . . . 0.0 109.381 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 611' ' ' TYR . . . . . . . . . . . . . 43.2 p90 -86.97 28.1 0.94 Allowed 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.239 -0.913 . . . . 0.0 109.704 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 612' ' ' SER . . . . . 0.553 ' C ' ' H ' ' B' ' 614' ' ' ILE . 80.4 p -86.69 -30.67 21.52 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.99 -1.069 . . . . 0.0 109.793 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 613' ' ' ASP . . . . . . . . . . . . . 43.7 m-20 -63.28 13.11 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.155 -0.965 . . . . 0.0 110.903 -179.504 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 614' ' ' ILE . . . . . 0.553 ' H ' ' C ' ' B' ' 612' ' ' SER . 68.2 mt -117.52 176.14 2.95 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.018 0 O-C-N 121.054 -1.029 . . . . 0.0 109.158 -179.7 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 615' ' ' ASP . . . . . 0.495 ' H ' ' CG2' ' B' ' 614' ' ' ILE . 69.7 m-20 -122.08 132.84 54.7 Favored 'General case' 0 N--CA 1.498 1.945 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 179.462 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 616' ' ' VAL . . . . . 0.494 ' O ' ' SG ' ' B' ' 620' ' ' CYS . 14.3 m -77.89 -17.17 14.03 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 O-C-N 121.39 -0.819 . . . . 0.0 109.862 -179.728 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 617' ' ' ASP . . . . . 0.425 ' OD1' ' N ' ' B' ' 618' ' ' GLY . 2.0 p30 -75.44 -31.86 60.47 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.168 -0.957 . . . . 0.0 110.107 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 618' ' ' GLY . . . . . 0.425 ' N ' ' OD1' ' B' ' 617' ' ' ASP . . . -68.33 -41.05 86.78 Favored Glycine 0 N--CA 1.49 2.298 0 C-N-CA 119.723 -1.227 . . . . 0.0 110.375 -179.295 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 619' ' ' LEU . . . . . 0.561 ' CD2' ' H ' ' B' ' 619' ' ' LEU . 1.5 mm? -70.11 -22.84 62.98 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 120.716 -1.461 . . . . 0.0 108.067 179.495 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 620' ' ' CYS . . . . . 0.494 ' SG ' ' O ' ' B' ' 616' ' ' VAL . 96.4 m -69.29 -53.47 19.54 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.227 -0.921 . . . . 0.0 110.362 -179.803 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 31.4 t -83.5 -1.35 53.48 Favored 'General case' 0 N--CA 1.502 2.151 0 O-C-N 120.522 -1.361 . . . . 0.0 110.806 -179.115 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 622' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -100.12 -46.66 5.24 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 120.966 -1.084 . . . . 0.0 109.76 178.166 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 623' ' ' LEU . . . . . . . . . . . . . 9.4 mp -85.55 -17.45 36.28 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 120.962 -1.086 . . . . 0.0 110.204 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 624' ' ' MET . . . . . . . . . . . . . 12.9 ttt -68.6 -29.25 67.74 Favored 'General case' 0 N--CA 1.499 2.025 0 O-C-N 120.7 -1.25 . . . . 0.0 111.293 -178.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 625' ' ' ALA . . . . . . . . . . . . . . . -105.23 -30.92 9.36 Favored 'General case' 0 N--CA 1.504 2.256 0 O-C-N 120.739 -1.226 . . . . 0.0 109.369 179.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 626' ' ' LYS . . . . . . . . . . . . . 66.7 mmtt -63.85 -14.5 53.66 Favored 'General case' 0 C--N 1.299 -1.614 0 N-CA-C 106.124 -1.806 . . . . 0.0 106.124 176.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 627' ' ' ALA . . . . . . . . . . . . . . . -45.86 122.41 3.75 Favored 'General case' 0 N--CA 1.492 1.641 0 CA-C-N 115.215 -0.902 . . . . 0.0 111.956 -179.504 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 628' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -94.98 88.4 5.24 Favored 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 106.325 -1.731 . . . . 0.0 106.325 176.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 629' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -58.67 138.92 56.71 Favored 'General case' 0 C--N 1.299 -1.625 0 CA-C-O 122.431 1.11 . . . . 0.0 112.334 -176.577 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 630' ' ' SER . . . . . . . . . . . . . 3.6 t -142.1 162.69 34.83 Favored 'General case' 0 N--CA 1.493 1.725 0 N-CA-C 107.347 -1.353 . . . . 0.0 107.347 178.274 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 631' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -69.09 -34.4 75.06 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.444 -1.41 . . . . 0.0 110.518 -178.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 632' ' ' ARG . . . . . 0.557 ' CG ' HH11 ' B' ' 632' ' ' ARG . 3.1 mtt-85 -70.9 -17.27 62.71 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.855 -1.153 . . . . 0.0 108.856 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 633' ' ' GLY . . . . . . . . . . . . . . . 143.82 179.9 20.71 Favored Glycine 0 N--CA 1.496 2.633 0 N-CA-C 108.722 -1.751 . . . . 0.0 108.722 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 634' ' ' VAL . . . . . . . . . . . . . 3.2 p -79.33 160.42 4.35 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.39 0 O-C-N 120.685 -1.479 . . . . 0.0 110.015 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 19.4 m -150.5 143.56 17.18 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 N-CA-C 107.929 -1.138 . . . . 0.0 107.929 177.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 636' ' ' ILE . . . . . . . . . . . . . 80.8 mt -130.99 147.54 33.07 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.051 0 O-C-N 121.25 -0.906 . . . . 0.0 109.959 -178.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 637' ' ' ASN . . . . . 0.507 ' ND2' ' OE1' ' B' ' 639' ' ' GLU . 59.9 t30 -88.83 136.83 32.8 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.247 -0.908 . . . . 0.0 109.054 179.429 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -48.59 -10.6 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.472 -0.768 . . . . 0.0 110.992 -179.326 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 639' ' ' GLU . . . . . 0.528 ' N ' ' OE1' ' B' ' 639' ' ' GLU . 11.5 mp0 -80.83 -19.81 43.81 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.9 -1.125 . . . . 0.0 110.663 -179.645 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 640' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -86.81 -44.64 11.58 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 120.311 -1.493 . . . . 0.0 108.722 178.292 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 641' ' ' VAL . . . . . 0.404 HG11 ' H ' ' B' ' 642' ' ' GLN . 0.8 OUTLIER -66.67 -44.52 89.64 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 120.876 -1.14 . . . . 0.0 108.45 178.34 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 642' ' ' GLN . . . . . 0.404 ' H ' HG11 ' B' ' 641' ' ' VAL . 60.5 tt0 -60.51 -35.81 76.86 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.119 -0.988 . . . . 0.0 109.752 -179.471 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 643' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -83.23 -18.85 37.79 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.024 -1.048 . . . . 0.0 108.832 178.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 644' ' ' ALA . . . . . . . . . . . . . . . -86.65 -38.98 16.53 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 120.814 -1.179 . . . . 0.0 109.163 178.535 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 645' ' ' LEU . . . . . 0.519 ' O ' ' N ' ' B' ' 647' ' ' LYS . 44.4 mt -77.61 -68.02 0.66 Allowed 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.576 -1.328 . . . . 0.0 108.805 178.732 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 646' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -45.43 -15.22 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.171 -0.955 . . . . 0.0 110.508 -179.196 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 647' ' ' LYS . . . . . 0.519 ' N ' ' O ' ' B' ' 645' ' ' LEU . 77.4 tttt -94.38 -11.88 29.03 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.003 -1.061 . . . . 0.0 109.753 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 648' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -109.84 18.49 20.1 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.474 -0.766 . . . . 0.0 109.424 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 649' ' ' MET . . . . . . . . . . . . . 6.5 mmt -96.56 99.73 11.35 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.284 -0.885 . . . . 0.0 109.227 179.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 650' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 . . . . . 0 N--CA 1.49 1.53 0 CA-C-O 117.958 -1.02 . . . . 0.0 109.506 -179.933 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 279' ' ' ASN . . . . . 0.485 ' C ' ' H ' ' A' ' 281' ' ' ASP . 6.9 p30 . . . . . 0 N--CA 1.489 1.517 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 280' ' ' LEU . . . . . 0.518 ' CD1' ' N ' ' A' ' 280' ' ' LEU . 8.1 mp -73.14 14.8 0.26 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.299 -0.876 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 281' ' ' ASP . . . . . 0.485 ' H ' ' C ' ' A' ' 279' ' ' ASN . 1.2 m-20 -75.43 25.71 0.1 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.212 -0.93 . . . . 0.0 109.521 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 282' ' ' SER . . . . . 0.507 ' H ' ' C ' ' A' ' 280' ' ' LEU . 52.2 m -65.08 -75.89 0.08 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.253 -0.904 . . . . 0.0 109.498 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 283' ' ' ASN . . . . . . . . . . . . . 49.0 t30 -170.57 104.57 0.27 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.272 -0.893 . . . . 0.0 109.435 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 284' ' ' MET . . . . . . . . . . . . . 28.6 ttt -168.91 -75.89 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.246 -0.909 . . . . 0.0 109.509 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 285' ' ' PHE . . . . . 0.424 ' O ' ' OG ' ' A' ' 286' ' ' SER . 51.3 m-85 -68.99 174.53 4.41 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.175 -0.953 . . . . 0.0 109.483 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 286' ' ' SER . . . . . 0.424 ' OG ' ' O ' ' A' ' 285' ' ' PHE . 21.0 p 54.29 -158.32 0.18 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.266 -0.897 . . . . 0.0 109.479 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 287' ' ' ASN . . . . . . . . . . . . . 31.2 m120 -157.19 -159.8 0.89 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.273 -0.892 . . . . 0.0 109.354 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 288' ' ' ASP . . . . . 0.44 ' N ' ' OD1' ' A' ' 288' ' ' ASP . 23.3 p-10 -170.51 -4.77 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.236 -0.915 . . . . 0.0 109.487 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 289' ' ' PHE . . . . . . . . . . . . . 66.5 t80 -66.76 -35.56 80.37 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.251 -0.905 . . . . 0.0 109.452 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 290' ' ' ASN . . . . . 0.479 ' ND2' ' OE2' ' A' ' 292' ' ' GLU . 4.1 t30 -169.43 -27.74 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.199 -0.938 . . . . 0.0 109.459 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 291' ' ' PHE . . . . . . . . . . . . . 56.9 t80 53.43 91.04 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.205 -0.934 . . . . 0.0 109.398 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 292' ' ' GLU . . . . . 0.479 ' OE2' ' ND2' ' A' ' 290' ' ' ASN . 13.3 pt-20 -160.74 -12.91 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.251 -0.906 . . . . 0.0 109.444 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 293' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -74.73 44.94 0.23 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.333 -0.855 . . . . 0.0 109.417 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 294' ' ' GLN . . . . . 0.415 ' H ' ' C ' ' A' ' 292' ' ' GLU . 36.3 mm-40 51.94 -134.79 1.58 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.311 -0.868 . . . . 0.0 109.546 179.805 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 295' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -65.72 -162.05 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.315 -0.866 . . . . 0.0 108.743 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 296' ' ' ASP . . . . . 0.519 ' CG ' ' H ' ' A' ' 297' ' ' GLU . 3.8 p-10 -164.8 -102.94 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.104 -0.998 . . . . 0.0 109.751 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 297' ' ' GLU . . . . . 0.519 ' H ' ' CG ' ' A' ' 296' ' ' ASP . 58.3 mm-40 52.76 -158.48 0.14 Allowed 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.274 -0.891 . . . . 0.0 109.52 -179.763 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 298' ' ' GLN . . . . . 0.48 ' CD ' ' N ' ' A' ' 298' ' ' GLN . 2.1 pm0 -164.99 -8.76 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.181 -0.949 . . . . 0.0 109.577 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 299' ' ' VAL . . . . . 0.55 ' C ' ' H ' ' A' ' 301' ' ' GLU . 12.7 m 34.4 68.96 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.502 2.156 0 CA-C-O 122.116 0.96 . . . . 0.0 111.254 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 300' ' ' SER . . . . . 0.512 ' O ' ' N ' ' A' ' 302' ' ' PHE . 5.1 m -75.83 29.9 0.11 Allowed 'General case' 0 C--N 1.293 -1.854 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 178.367 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 301' ' ' GLU . . . . . 0.55 ' H ' ' C ' ' A' ' 299' ' ' VAL . 37.1 tt0 -44.96 -22.73 0.1 Allowed 'General case' 0 N--CA 1.494 1.748 0 N-CA-C 107.209 -1.404 . . . . 0.0 107.209 178.603 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 302' ' ' PHE . . . . . 0.512 ' N ' ' O ' ' A' ' 300' ' ' SER . 63.0 t80 -75.47 -56.41 4.73 Favored 'General case' 0 C--N 1.303 -1.447 0 CA-C-N 114.821 -1.082 . . . . 0.0 109.314 178.55 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 303' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -76.85 -37.88 54.77 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.125 -0.985 . . . . 0.0 109.28 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 304' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 300' ' ' SER . 11.0 t -56.48 -30.97 63.56 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.471 -0.768 . . . . 0.0 110.793 -179.072 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . 54.0 mttp -95.14 -15.37 23.39 Favored 'General case' 0 N--CA 1.503 2.196 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 178.305 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 306' ' ' MET . . . . . . . . . . . . . 24.8 ttm -73.08 -22.8 60.52 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 107.347 -1.353 . . . . 0.0 107.347 177.202 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 307' ' ' ASN . . . . . 0.468 ' O ' ' N ' ' A' ' 310' ' ' CYS . 2.6 t30 -83.94 -38.24 21.29 Favored 'General case' 0 N--CA 1.491 1.591 0 N-CA-C 106.195 -1.78 . . . . 0.0 106.195 178.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 308' ' ' GLN . . . . . 0.529 ' O ' ' N ' ' A' ' 310' ' ' CYS . 70.8 tp60 -38.09 -44.2 0.81 Allowed 'General case' 0 N--CA 1.503 2.194 0 CA-C-N 115.791 -0.641 . . . . 0.0 109.329 178.468 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 309' ' ' VAL . . . . . . . . . . . . . 10.8 t -45.75 -16.22 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.499 1.989 0 CA-C-O 122.024 0.916 . . . . 0.0 109.383 179.372 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 310' ' ' CYS . . . . . 0.529 ' N ' ' O ' ' A' ' 308' ' ' GLN . 63.1 m -94.1 -37.45 11.6 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 179.287 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 311' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 308' ' ' GLN . . . -61.49 120.82 24.04 Favored Glycine 0 N--CA 1.491 2.33 0 N-CA-C 109.676 -1.37 . . . . 0.0 109.676 -179.84 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 312' ' ' THR . . . . . . . . . . . . . 79.4 p -84.89 120.6 26.66 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.241 -1.152 . . . . 0.0 109.461 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 313' ' ' ARG . . . . . . . . . . . . . 37.4 ttm180 . . . . . 0 N--CA 1.492 1.643 0 CA-C-O 117.936 -1.03 . . . . 0.0 109.44 179.902 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 565' ' ' ASN . . . . . . . . . . . . . 11.3 m-20 . . . . . 0 N--CA 1.49 1.557 0 CA-C-O 121.309 0.576 . . . . 0.0 109.493 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 566' ' ' GLY . . . . . 0.418 ' O ' ' N ' ' B' ' 568' ' ' SER . . . 178.81 -117.85 0.58 Allowed Glycine 0 N--CA 1.49 2.264 0 N-CA-C 109.503 -1.439 . . . . 0.0 109.503 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 567' ' ' SER . . . . . . . . . . . . . 89.9 p -69.2 48.56 0.07 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.268 -1.137 . . . . 0.0 109.441 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 568' ' ' SER . . . . . 0.418 ' N ' ' O ' ' B' ' 566' ' ' GLY . 40.5 t -169.24 87.47 0.17 Allowed 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.24 -0.912 . . . . 0.0 109.412 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 569' ' ' LEU . . . . . 0.523 ' CD2' ' N ' ' B' ' 569' ' ' LEU . 3.5 mm? -70.66 163.9 26.11 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.245 -0.91 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 570' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -169.29 -29.92 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.292 -0.88 . . . . 0.0 109.402 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 571' ' ' ASN . . . . . 0.423 ' O ' ' O ' ' B' ' 572' ' ' ALA . 4.1 m-80 53.47 177.07 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.219 -0.926 . . . . 0.0 109.516 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 572' ' ' ALA . . . . . 0.423 ' O ' ' O ' ' B' ' 571' ' ' ASN . . . 56.07 167.18 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.172 -0.955 . . . . 0.0 109.608 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 573' ' ' ASP . . . . . 0.465 ' N ' ' OD1' ' B' ' 573' ' ' ASP . 25.4 p-10 -172.17 56.27 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.277 -0.889 . . . . 0.0 109.398 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 574' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -55.08 138.88 43.16 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.255 -0.903 . . . . 0.0 109.549 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 575' ' ' ILE . . . . . . . . . . . . . 8.3 pt -151.07 -39.21 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.759 0 O-C-N 121.254 -0.904 . . . . 0.0 109.5 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 576' ' ' ASN . . . . . 0.537 ' O ' ' N ' ' B' ' 578' ' ' GLY . 29.5 m120 -56.58 -176.21 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.118 -0.989 . . . . 0.0 109.404 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 577' ' ' ASN . . . . . . . . . . . . . 2.1 m120 63.93 -68.4 0.09 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.528 -0.733 . . . . 0.0 109.606 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 578' ' ' GLY . . . . . 0.537 ' N ' ' O ' ' B' ' 576' ' ' ASN . . . 79.24 -98.4 1.62 Allowed Glycine 0 N--CA 1.491 2.323 0 N-CA-C 109.577 -1.409 . . . . 0.0 109.577 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 579' ' ' ASN . . . . . 0.406 ' O ' ' OD1' ' B' ' 579' ' ' ASN . 49.3 t-20 -170.6 22.38 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.26 -1.141 . . . . 0.0 109.43 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 580' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -72.08 -41.55 67.23 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.208 -0.932 . . . . 0.0 109.416 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 581' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -170.69 131.24 0.87 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.247 -0.908 . . . . 0.0 109.495 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 582' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -59.0 134.47 57.01 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.303 -0.873 . . . . 0.0 109.389 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 583' ' ' ASN . . . . . 0.503 ' CG ' ' H ' ' B' ' 584' ' ' ASP . 12.3 t-20 -170.0 -174.61 1.82 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.269 -0.894 . . . . 0.0 109.353 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 584' ' ' ASP . . . . . 0.503 ' H ' ' CG ' ' B' ' 583' ' ' ASN . 6.2 p-10 -161.16 -107.22 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.226 -0.921 . . . . 0.0 109.376 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 585' ' ' ASN . . . . . 0.503 ' H ' ' CG ' ' B' ' 584' ' ' ASP . 19.8 p30 -172.9 56.82 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.234 -0.916 . . . . 0.0 109.481 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 586' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -56.54 169.12 0.49 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.322 -0.861 . . . . 0.0 109.451 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 587' ' ' VAL . . . . . . . . . . . . . 1.6 m -148.67 113.43 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 121.252 -0.905 . . . . 0.0 109.127 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 588' ' ' VAL . . . . . 0.485 ' O ' ' N ' ' B' ' 590' ' ' SER . 3.8 m -91.87 151.39 42.05 Favored Pre-proline 0 N--CA 1.494 1.726 0 O-C-N 121.218 -0.926 . . . . 0.0 108.818 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 589' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -57.43 83.29 0.04 OUTLIER 'Trans proline' 0 C--N 1.323 -0.816 0 C-N-CA 120.837 1.025 . . . . 0.0 109.484 179.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 590' ' ' SER . . . . . 0.517 ' O ' ' N ' ' B' ' 592' ' ' GLU . 1.5 t 175.24 95.46 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.223 -0.923 . . . . 0.0 109.368 -179.665 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 591' ' ' LYS . . . . . 0.46 ' O ' ' N ' ' B' ' 593' ' ' GLY . 13.5 ptpt -64.09 73.93 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.157 -0.965 . . . . 0.0 109.32 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 592' ' ' GLU . . . . . 0.517 ' N ' ' O ' ' B' ' 590' ' ' SER . 33.7 tt0 -56.02 90.4 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.194 -0.941 . . . . 0.0 109.273 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 593' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' B' ' 591' ' ' LYS . . . -169.41 75.71 0.11 Allowed Glycine 0 N--CA 1.489 2.203 0 N-CA-C 109.504 -1.438 . . . . 0.0 109.504 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 594' ' ' SER . . . . . . . . . . . . . 11.5 p -76.64 165.32 24.92 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.224 -1.162 . . . . 0.0 110.17 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 595' ' ' LEU . . . . . 0.568 ' CD2' ' N ' ' B' ' 595' ' ' LEU . 2.9 mm? -94.85 121.1 36.11 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 179.711 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 596' ' ' LEU . . . . . 0.506 ' CD2' HH21 ' B' ' 604' ' ' ARG . 0.0 OUTLIER -128.17 153.53 46.78 Favored 'General case' 0 N--CA 1.507 2.388 0 O-C-N 121.292 -0.88 . . . . 0.0 109.459 -179.804 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 597' ' ' ARG . . . . . 0.703 HH21 ' H ' ' B' ' 634' ' ' VAL . 0.0 OUTLIER -88.03 -144.7 0.14 Allowed 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.339 -0.851 . . . . 0.0 110.186 -179.472 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 598' ' ' CYS . . . . . 0.478 ' O ' ' N ' ' B' ' 600' ' ' GLU . 1.8 p -88.85 -87.19 0.17 Allowed 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.201 -0.937 . . . . 0.0 110.399 -178.659 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 599' ' ' SER . . . . . 0.45 ' O ' ' N ' ' B' ' 602' ' ' TRP . 29.2 t -45.42 -21.57 0.1 Allowed 'General case' 0 N--CA 1.498 1.934 0 CA-C-O 122.187 0.994 . . . . 0.0 108.758 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 600' ' ' GLU . . . . . 0.478 ' N ' ' O ' ' B' ' 598' ' ' CYS . 5.4 tm-20 -45.9 -42.59 12.88 Favored 'General case' 0 C--N 1.303 -1.442 0 CA-C-O 122.958 1.361 . . . . 0.0 108.49 178.761 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 601' ' ' ILE . . . . . 0.565 ' O ' ' N ' ' B' ' 604' ' ' ARG . 1.4 mp -68.69 -32.38 54.74 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.105 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 -178.301 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 602' ' ' TRP . . . . . 0.45 ' N ' ' O ' ' B' ' 599' ' ' SER . 60.4 t-105 -45.89 -37.28 6.13 Favored 'General case' 0 N--CA 1.495 1.825 0 N-CA-C 107.325 -1.361 . . . . 0.0 107.325 179.274 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 603' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -68.84 -41.58 78.3 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 107.564 -1.273 . . . . 0.0 107.564 177.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 604' ' ' ARG . . . . . 0.565 ' N ' ' O ' ' B' ' 601' ' ' ILE . 28.0 mmt180 -57.58 -40.41 78.94 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.326 -0.859 . . . . 0.0 109.12 178.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 605' ' ' ILE . . . . . 0.439 ' O ' ' N ' ' B' ' 608' ' ' HIS . 31.1 mt -68.92 -48.34 70.95 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 121.358 -0.839 . . . . 0.0 110.522 179.377 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 606' ' ' THR . . . . . . . . . . . . . 25.0 p -47.67 -41.47 22.5 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.764 -1.21 . . . . 0.0 109.994 -179.246 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 607' ' ' THR . . . . . 0.426 ' C ' ' HD1' ' B' ' 608' ' ' HIS . 43.8 p -78.16 13.79 1.37 Allowed 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.138 -0.976 . . . . 0.0 109.991 -179.765 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 608' ' ' HIS . . . . . 0.547 ' C ' ' H ' ' B' ' 610' ' ' LYS . 3.5 m-70 -120.62 82.48 33.68 Favored Pre-proline 0 N--CA 1.501 2.116 0 O-C-N 121.383 -0.823 . . . . 0.0 110.383 -179.499 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 609' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_exo -57.09 -0.25 0.27 Allowed 'Trans proline' 0 C--N 1.321 -0.903 0 C-N-CA 121.482 1.455 . . . . 0.0 110.169 179.166 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 610' ' ' LYS . . . . . 0.547 ' H ' ' C ' ' B' ' 608' ' ' HIS . 45.2 mtpt -83.22 43.36 0.87 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.001 -1.062 . . . . 0.0 109.226 179.526 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 611' ' ' TYR . . . . . 0.554 ' O ' ' N ' ' B' ' 613' ' ' ASP . 0.4 OUTLIER -67.63 -10.14 49.45 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.376 -0.828 . . . . 0.0 108.913 179.914 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 612' ' ' SER . . . . . 0.425 ' O ' ' O ' ' B' ' 613' ' ' ASP . 50.7 m -55.67 78.75 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.522 -0.737 . . . . 0.0 110.468 -179.166 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 613' ' ' ASP . . . . . 0.554 ' N ' ' O ' ' B' ' 611' ' ' TYR . 10.3 t70 59.46 122.64 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.587 -0.695 . . . . 0.0 110.241 179.337 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 614' ' ' ILE . . . . . . . . . . . . . 19.5 tt -144.99 -0.23 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.881 0 O-C-N 121.329 -0.857 . . . . 0.0 109.692 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 615' ' ' ASP . . . . . . . . . . . . . 13.3 t0 64.59 83.73 0.16 Allowed 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.272 -0.893 . . . . 0.0 109.237 -179.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 616' ' ' VAL . . . . . 0.485 ' O ' ' SG ' ' B' ' 620' ' ' CYS . 20.2 t -80.86 -18.36 11.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.537 -0.727 . . . . 0.0 109.61 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 617' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -74.61 -37.91 62.72 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.204 -0.935 . . . . 0.0 110.087 -179.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 618' ' ' GLY . . . . . . . . . . . . . . . -70.63 -46.55 46.44 Favored Glycine 0 N--CA 1.49 2.262 0 C-N-CA 119.773 -1.203 . . . . 0.0 110.114 -179.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 619' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.04 -19.38 65.97 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.043 -1.269 . . . . 0.0 108.526 -179.555 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 620' ' ' CYS . . . . . 0.485 ' SG ' ' O ' ' B' ' 616' ' ' VAL . 34.4 m -71.4 -44.41 64.98 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.942 -1.099 . . . . 0.0 109.234 179.372 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 36.1 t -82.42 -0.34 45.68 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.068 -1.02 . . . . 0.0 108.746 179.207 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 622' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -98.24 -45.35 6.22 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.482 -0.761 . . . . 0.0 109.185 178.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 623' ' ' LEU . . . . . . . . . . . . . 10.6 mp -86.04 -27.17 24.94 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 120.606 -1.309 . . . . 0.0 109.595 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 624' ' ' MET . . . . . . . . . . . . . 21.0 ttt -71.53 -32.24 67.94 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.285 -0.884 . . . . 0.0 112.514 -177.145 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 625' ' ' ALA . . . . . . . . . . . . . . . -101.88 -8.07 21.92 Favored 'General case' 0 N--CA 1.508 2.454 0 O-C-N 120.554 -1.341 . . . . 0.0 110.203 -179.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 626' ' ' LYS . . . . . . . . . . . . . 53.7 mttm -85.96 -4.64 59.21 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 105.871 -1.9 . . . . 0.0 105.871 176.148 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 627' ' ' ALA . . . . . . . . . . . . . . . -43.48 139.78 1.95 Allowed 'General case' 0 N--CA 1.489 1.515 0 CA-C-N 114.985 -1.007 . . . . 0.0 111.455 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 628' ' ' LYS . . . . . . . . . . . . . 50.3 tttp -113.88 92.12 3.87 Favored 'General case' 0 N--CA 1.497 1.876 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 178.52 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 629' ' ' CYS . . . . . . . . . . . . . 88.8 m -54.18 116.52 2.64 Favored 'General case' 0 N--CA 1.493 1.684 0 CA-C-O 122.353 1.073 . . . . 0.0 111.616 -178.138 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 630' ' ' SER . . . . . . . . . . . . . 40.1 t -142.84 159.87 41.41 Favored 'General case' 0 N--CA 1.493 1.721 0 N-CA-C 107.902 -1.147 . . . . 0.0 107.902 178.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 631' ' ' GLU . . . . . 0.562 ' C ' ' H ' ' B' ' 633' ' ' GLY . 6.9 pt-20 -63.86 -22.99 67.18 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.44 -1.413 . . . . 0.0 109.223 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 52.4 mtp180 -79.29 34.39 0.25 Allowed 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 177.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 633' ' ' GLY . . . . . 0.562 ' H ' ' C ' ' B' ' 631' ' ' GLU . . . 70.74 -170.35 46.56 Favored Glycine 0 N--CA 1.49 2.283 0 N-CA-C 107.487 -2.245 . . . . 0.0 107.487 -178.298 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 634' ' ' VAL . . . . . 0.703 ' H ' HH21 ' B' ' 597' ' ' ARG . 54.8 t -77.4 142.22 14.52 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.438 0 O-C-N 120.399 -1.648 . . . . 0.0 109.052 179.427 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 26.0 m -137.38 139.69 43.25 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.04 0 O-C-N 121.114 -0.991 . . . . 0.0 109.425 179.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 636' ' ' ILE . . . . . . . . . . . . . 88.8 mt -128.7 152.9 37.49 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.022 0 O-C-N 121.62 -0.675 . . . . 0.0 109.362 -179.571 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 637' ' ' ASN . . . . . 0.65 HD21 ' N ' ' B' ' 637' ' ' ASN . 1.1 m120 -85.02 124.49 31.77 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.005 -1.059 . . . . 0.0 109.013 179.398 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 638' ' ' ALA . . . . . 0.417 ' O ' ' OE1' ' B' ' 642' ' ' GLN . . . -46.97 -11.82 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.794 -0.566 . . . . 0.0 110.647 -179.344 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 639' ' ' GLU . . . . . 0.508 ' N ' ' O ' ' B' ' 637' ' ' ASN . 52.4 tt0 -81.56 -20.42 39.98 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.955 -1.091 . . . . 0.0 110.333 -179.543 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 640' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -82.34 -56.81 3.67 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 120.356 -1.465 . . . . 0.0 107.665 178.04 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 641' ' ' VAL . . . . . 0.534 ' O ' ' N ' ' B' ' 644' ' ' ALA . 6.3 p -52.35 -50.84 36.33 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.55 0 O-C-N 120.985 -1.072 . . . . 0.0 108.427 177.604 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 642' ' ' GLN . . . . . 0.417 ' OE1' ' O ' ' B' ' 638' ' ' ALA . 66.0 mt-30 -49.33 -36.15 20.42 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.932 -1.105 . . . . 0.0 108.623 179.503 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 643' ' ' LEU . . . . . . . . . . . . . 50.8 mt -78.6 -20.6 50.11 Favored 'General case' 0 N--CA 1.491 1.59 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 177.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 644' ' ' ALA . . . . . 0.534 ' N ' ' O ' ' B' ' 641' ' ' VAL . . . -86.25 -48.28 8.67 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.993 -1.067 . . . . 0.0 108.553 177.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 645' ' ' LEU . . . . . . . . . . . . . 84.5 mt -60.63 -25.33 66.22 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.016 -1.052 . . . . 0.0 108.928 179.057 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 646' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -93.96 -8.6 39.6 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.386 -0.821 . . . . 0.0 109.601 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 647' ' ' LYS . . . . . 0.561 ' C ' ' H ' ' B' ' 649' ' ' MET . 27.2 ttpp -74.44 -83.67 0.05 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.149 -0.969 . . . . 0.0 110.383 -179.204 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 648' ' ' HIS . . . . . . . . . . . . . 2.6 p80 -67.81 29.5 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.087 -1.008 . . . . 0.0 110.495 -178.365 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 649' ' ' MET . . . . . 0.561 ' H ' ' C ' ' B' ' 647' ' ' LYS . 4.8 tpt -91.26 103.8 16.42 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.911 -1.118 . . . . 0.0 109.31 -179.712 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 650' ' ' ASN . . . . . . . . . . . . . 61.5 t-20 . . . . . 0 N--CA 1.489 1.507 0 CA-C-O 117.928 -1.034 . . . . 0.0 109.475 179.994 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 279' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 . . . . . 0 N--CA 1.492 1.63 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . 15.9 mt -69.65 -163.01 0.05 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.275 -0.891 . . . . 0.0 109.476 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 281' ' ' ASP . . . . . . . . . . . . . 53.9 m-20 -158.77 136.35 10.18 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.312 -0.867 . . . . 0.0 109.326 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 282' ' ' SER . . . . . . . . . . . . . 48.9 m -155.46 -175.42 5.42 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.265 -0.897 . . . . 0.0 109.428 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 283' ' ' ASN . . . . . 0.42 ' N ' HD21 ' A' ' 283' ' ' ASN . 3.0 m120 -63.88 130.44 44.13 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.232 -0.917 . . . . 0.0 109.545 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 284' ' ' MET . . . . . . . . . . . . . 43.0 mtt -153.43 43.84 0.6 Allowed 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.197 -0.939 . . . . 0.0 109.277 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 285' ' ' PHE . . . . . 0.444 ' C ' ' H ' ' A' ' 287' ' ' ASN . 65.0 m-85 -51.88 105.81 0.12 Allowed 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.216 -0.927 . . . . 0.0 109.522 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 286' ' ' SER . . . . . . . . . . . . . 40.6 m -77.16 16.76 0.53 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.274 -0.891 . . . . 0.0 109.501 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 287' ' ' ASN . . . . . 0.444 ' H ' ' C ' ' A' ' 285' ' ' PHE . 35.4 p-10 -61.6 124.49 20.81 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.272 -0.893 . . . . 0.0 109.441 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 288' ' ' ASP . . . . . 0.486 ' C ' ' H ' ' A' ' 290' ' ' ASN . 62.0 m-20 -158.23 -76.45 0.08 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.223 -0.923 . . . . 0.0 109.521 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 289' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -73.6 40.61 0.11 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.299 -0.876 . . . . 0.0 109.384 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 290' ' ' ASN . . . . . 0.498 ' C ' ' H ' ' A' ' 292' ' ' GLU . 6.4 p-10 -167.32 -52.64 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.29 -0.881 . . . . 0.0 109.349 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 291' ' ' PHE . . . . . . . . . . . . . 16.7 t80 66.09 -42.69 0.38 Allowed 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.605 -0.684 . . . . 0.0 109.681 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 292' ' ' GLU . . . . . 0.498 ' H ' ' C ' ' A' ' 290' ' ' ASN . 7.9 tp10 -70.34 -57.7 4.55 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.105 -0.997 . . . . 0.0 109.386 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 293' ' ' ASN . . . . . 0.438 ' O ' ' N ' ' A' ' 295' ' ' PHE . 36.4 t-20 -64.36 77.28 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.206 -0.934 . . . . 0.0 109.443 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 294' ' ' GLN . . . . . 0.472 ' N ' ' O ' ' A' ' 292' ' ' GLU . 18.7 tt0 -70.09 59.56 0.17 Allowed 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.165 -0.96 . . . . 0.0 109.347 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 295' ' ' PHE . . . . . 0.438 ' N ' ' O ' ' A' ' 293' ' ' ASN . 59.2 t80 -170.59 95.42 0.22 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.242 -0.911 . . . . 0.0 109.44 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 296' ' ' ASP . . . . . 0.447 ' N ' ' OD1' ' A' ' 296' ' ' ASP . 15.9 p-10 -167.23 29.71 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.171 -0.956 . . . . 0.0 109.551 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 297' ' ' GLU . . . . . 0.479 ' CD ' ' H ' ' A' ' 297' ' ' GLU . 2.6 mp0 -56.41 -104.32 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.208 -0.932 . . . . 0.0 109.483 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 298' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -84.85 -11.09 56.39 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.254 -0.904 . . . . 0.0 109.728 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 299' ' ' VAL . . . . . 0.543 ' C ' ' H ' ' A' ' 301' ' ' GLU . 18.7 t 55.32 74.26 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 121.151 -0.968 . . . . 0.0 109.81 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 300' ' ' SER . . . . . 0.528 ' C ' ' N ' ' A' ' 302' ' ' PHE . 9.8 m -75.5 30.5 0.1 Allowed 'General case' 0 C--N 1.294 -1.832 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 178.705 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 301' ' ' GLU . . . . . 0.543 ' H ' ' C ' ' A' ' 299' ' ' VAL . 1.4 pp20? -45.4 -23.76 0.24 Allowed 'General case' 0 N--CA 1.495 1.797 0 N-CA-C 106.821 -1.548 . . . . 0.0 106.821 178.145 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 302' ' ' PHE . . . . . 0.528 ' N ' ' C ' ' A' ' 300' ' ' SER . 47.0 t80 -68.74 -65.34 0.71 Allowed 'General case' 0 C--N 1.302 -1.475 0 CA-C-N 114.363 -1.29 . . . . 0.0 109.274 178.451 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 303' ' ' CYS . . . . . . . . . . . . . 5.4 t -65.41 -35.25 80.38 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.18 -0.95 . . . . 0.0 109.632 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 7.0 t -52.59 -31.67 37.47 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.59 -0.694 . . . . 0.0 111.325 -178.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . 43.0 mtpt -99.85 -14.88 18.6 Favored 'General case' 0 N--CA 1.507 2.407 0 O-C-N 120.917 -1.115 . . . . 0.0 109.257 178.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 306' ' ' MET . . . . . . . . . . . . . 31.1 mmm -73.23 -24.63 60.51 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 120.317 -1.489 . . . . 0.0 107.215 176.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 307' ' ' ASN . . . . . 0.418 ' O ' ' C ' ' A' ' 308' ' ' GLN . 35.5 t30 -85.15 -37.8 19.77 Favored 'General case' 0 N--CA 1.495 1.804 0 N-CA-C 106.467 -1.679 . . . . 0.0 106.467 178.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 308' ' ' GLN . . . . . 0.559 ' O ' ' N ' ' A' ' 310' ' ' CYS . 8.0 tt0 -38.38 -38.47 0.37 Allowed 'General case' 0 N--CA 1.504 2.237 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 178.541 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 309' ' ' VAL . . . . . . . . . . . . . 13.5 p -45.28 -14.17 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.501 2.08 0 O-C-N 121.716 -0.615 . . . . 0.0 109.392 178.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 310' ' ' CYS . . . . . 0.559 ' N ' ' O ' ' A' ' 308' ' ' GLN . 3.0 t -81.95 -61.56 1.88 Allowed 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.238 -0.914 . . . . 0.0 109.761 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 311' ' ' GLY . . . . . . . . . . . . . . . -74.91 117.48 5.38 Favored Glycine 0 N--CA 1.49 2.271 0 N-CA-C 109.882 -1.287 . . . . 0.0 109.882 -179.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 312' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -92.93 125.29 37.45 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.304 -1.116 . . . . 0.0 109.408 179.758 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 313' ' ' ARG . . . . . 0.545 HH11 ' CG ' ' A' ' 313' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.492 1.646 0 CA-C-O 118.036 -0.983 . . . . 0.0 109.42 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 565' ' ' ASN . . . . . . . . . . . . . 51.7 t30 . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 566' ' ' GLY . . . . . . . . . . . . . . . 178.28 -26.64 0.06 OUTLIER Glycine 0 N--CA 1.491 2.344 0 N-CA-C 109.432 -1.467 . . . . 0.0 109.432 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 567' ' ' SER . . . . . . . . . . . . . 89.9 p -64.07 117.36 6.97 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.29 -1.123 . . . . 0.0 109.469 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 568' ' ' SER . . . . . . . . . . . . . 51.6 m -68.47 -14.22 62.85 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.331 -0.856 . . . . 0.0 109.469 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 569' ' ' LEU . . . . . . . . . . . . . 15.7 mt -71.58 118.99 15.09 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.299 -0.876 . . . . 0.0 109.479 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 570' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -170.23 5.92 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.233 -0.917 . . . . 0.0 109.482 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 571' ' ' ASN . . . . . . . . . . . . . 35.0 t-20 -63.04 94.21 0.07 Allowed 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.272 -0.893 . . . . 0.0 109.487 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -69.91 123.4 21.4 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.267 -0.896 . . . . 0.0 109.462 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 573' ' ' ASP . . . . . . . . . . . . . 38.2 t70 53.16 97.58 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.296 -0.877 . . . . 0.0 109.541 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 574' ' ' LYS . . . . . . . . . . . . . 59.8 mttp -65.09 104.95 0.96 Allowed 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.256 -0.902 . . . . 0.0 109.374 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 575' ' ' ILE . . . . . . . . . . . . . 8.4 pt -63.19 -116.68 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.219 -0.926 . . . . 0.0 109.498 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 576' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -58.6 119.77 7.66 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.099 -1.001 . . . . 0.0 109.439 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 577' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -75.64 -175.61 2.96 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.294 -0.879 . . . . 0.0 109.439 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 578' ' ' GLY . . . . . . . . . . . . . . . -76.68 -33.03 48.41 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.522 -1.431 . . . . 0.0 109.522 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 579' ' ' ASN . . . . . . . . . . . . . 45.8 t30 -164.42 120.84 1.57 Allowed 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.227 -1.161 . . . . 0.0 109.52 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 580' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.2 -96.74 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.25 -0.906 . . . . 0.0 109.484 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 581' ' ' ASN . . . . . . . . . . . . . 15.3 p30 -172.07 -163.44 0.25 Allowed 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.289 -0.882 . . . . 0.0 109.446 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 582' ' ' ASP . . . . . 0.484 ' CG ' ' H ' ' B' ' 583' ' ' ASN . 35.1 t70 53.96 -177.89 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.283 -0.885 . . . . 0.0 109.505 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 583' ' ' ASN . . . . . 0.484 ' H ' ' CG ' ' B' ' 582' ' ' ASP . 67.1 m-80 51.49 -106.82 0.28 Allowed 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.264 -0.898 . . . . 0.0 109.455 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 584' ' ' ASP . . . . . . . . . . . . . 21.1 p30 -67.63 169.37 9.5 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.184 -0.947 . . . . 0.0 109.466 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 585' ' ' ASN . . . . . . . . . . . . . 72.4 m-80 -158.06 -12.07 0.08 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.299 -0.875 . . . . 0.0 109.361 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 586' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -60.96 -172.1 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.245 -0.91 . . . . 0.0 109.46 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 587' ' ' VAL . . . . . . . . . . . . . 33.6 m -142.57 -147.25 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.252 -0.905 . . . . 0.0 109.175 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 588' ' ' VAL . . . . . 0.47 ' O ' ' N ' ' B' ' 590' ' ' SER . 5.9 t -147.14 -61.22 0.02 OUTLIER Pre-proline 0 N--CA 1.495 1.818 0 O-C-N 121.211 -0.931 . . . . 0.0 109.847 179.576 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 589' ' ' PRO . . . . . 0.465 ' HD2' ' H ' ' B' ' 588' ' ' VAL . 2.1 Cg_endo -50.98 91.92 0.03 OUTLIER 'Trans proline' 0 C--O 1.214 -0.692 0 N-CA-C 109.674 -0.933 . . . . 0.0 109.674 178.716 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 590' ' ' SER . . . . . 0.47 ' N ' ' O ' ' B' ' 588' ' ' VAL . 29.5 p -171.79 72.24 0.05 OUTLIER 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.156 -0.965 . . . . 0.0 109.559 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 591' ' ' LYS . . . . . . . . . . . . . 30.5 tptt 58.68 -123.03 1.32 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.214 -0.929 . . . . 0.0 109.187 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 592' ' ' GLU . . . . . 0.473 ' O ' ' ND2' ' B' ' 637' ' ' ASN . 5.6 pt-20 -176.18 69.34 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.706 -1.247 . . . . 0.0 109.371 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 593' ' ' GLY . . . . . . . . . . . . . . . 74.21 142.01 0.7 Allowed Glycine 0 N--CA 1.49 2.26 0 N-CA-C 109.326 -1.51 . . . . 0.0 109.326 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 594' ' ' SER . . . . . . . . . . . . . 68.5 m -82.97 166.03 19.19 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.099 -1.236 . . . . 0.0 110.242 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 595' ' ' LEU . . . . . 0.514 ' CD2' ' N ' ' B' ' 595' ' ' LEU . 3.9 mm? -96.01 125.77 40.79 Favored 'General case' 0 C--N 1.301 -1.507 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 179.699 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 596' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -128.34 152.73 47.81 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.365 -0.835 . . . . 0.0 109.558 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 597' ' ' ARG . . . . . . . . . . . . . 27.9 mtp180 -97.75 -138.03 0.28 Allowed 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.373 -0.829 . . . . 0.0 110.426 -178.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 598' ' ' CYS . . . . . 0.412 ' C ' ' N ' ' B' ' 600' ' ' GLU . 2.6 p -86.91 -93.71 0.09 Allowed 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.447 -0.783 . . . . 0.0 110.367 -179.014 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 599' ' ' SER . . . . . 0.424 ' O ' ' N ' ' B' ' 602' ' ' TRP . 15.2 m -44.91 -25.34 0.3 Allowed 'General case' 0 N--CA 1.497 1.923 0 CA-C-O 122.175 0.988 . . . . 0.0 109.003 -179.651 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 600' ' ' GLU . . . . . 0.415 ' O ' ' OE1' ' B' ' 600' ' ' GLU . 2.0 tm-20 -45.16 -41.81 8.47 Favored 'General case' 0 C--N 1.303 -1.434 0 CA-C-O 122.672 1.225 . . . . 0.0 108.697 178.746 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 601' ' ' ILE . . . . . 0.537 ' O ' ' N ' ' B' ' 604' ' ' ARG . 2.5 mt -70.67 -32.8 50.58 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.301 0 CA-C-N 115.474 -0.785 . . . . 0.0 108.931 -177.663 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 602' ' ' TRP . . . . . 0.424 ' N ' ' O ' ' B' ' 599' ' ' SER . 61.6 t-105 -45.33 -36.83 4.39 Favored 'General case' 0 N--CA 1.492 1.658 0 N-CA-C 107.395 -1.335 . . . . 0.0 107.395 179.397 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 603' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -70.38 -43.43 70.12 Favored 'General case' 0 C--N 1.303 -1.443 0 N-CA-C 107.798 -1.186 . . . . 0.0 107.798 177.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 604' ' ' ARG . . . . . 0.594 HH21 HE22 ' B' ' 642' ' ' GLN . 0.2 OUTLIER -56.14 -30.19 61.8 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.248 -0.908 . . . . 0.0 108.839 179.063 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 605' ' ' ILE . . . . . . . . . . . . . 97.2 mt -79.93 -45.25 22.88 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 O-C-N 121.261 -0.899 . . . . 0.0 110.102 179.487 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 606' ' ' THR . . . . . 0.563 ' C ' ' H ' ' B' ' 608' ' ' HIS . 30.5 p -54.19 -44.8 71.88 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.943 -1.098 . . . . 0.0 110.188 -179.253 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 607' ' ' THR . . . . . . . . . . . . . 2.4 t -57.53 2.41 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.839 -1.163 . . . . 0.0 110.394 -179.336 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 608' ' ' HIS . . . . . 0.563 ' H ' ' C ' ' B' ' 606' ' ' THR . 63.9 t-80 -83.16 129.17 62.03 Favored Pre-proline 0 N--CA 1.491 1.615 0 N-CA-C 106.978 -1.49 . . . . 0.0 106.978 178.265 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 609' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -58.87 83.81 0.05 OUTLIER 'Trans proline' 0 C--N 1.323 -0.788 0 N-CA-C 109.045 -1.175 . . . . 0.0 109.045 -178.436 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 610' ' ' LYS . . . . . 0.524 ' N ' ' O ' ' B' ' 608' ' ' HIS . 74.3 tttt 65.19 133.29 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.514 -0.741 . . . . 0.0 109.343 -179.118 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 611' ' ' TYR . . . . . 0.437 ' O ' ' O ' ' B' ' 610' ' ' LYS . 29.5 m-85 -51.63 -176.01 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.365 0 O-C-N 121.349 -0.845 . . . . 0.0 109.185 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 612' ' ' SER . . . . . . . . . . . . . 29.8 t -157.12 -75.73 0.09 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.092 -1.005 . . . . 0.0 109.024 179.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 613' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -160.51 70.9 0.42 Allowed 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.262 -0.899 . . . . 0.0 109.896 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 614' ' ' ILE . . . . . 0.482 ' CG2' ' H ' ' B' ' 615' ' ' ASP . 76.6 mt -108.32 174.12 1.69 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.028 0 O-C-N 121.378 -0.826 . . . . 0.0 109.677 -179.553 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 615' ' ' ASP . . . . . 0.482 ' H ' ' CG2' ' B' ' 614' ' ' ILE . 1.1 m-20 -127.76 117.86 22.67 Favored 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 179.421 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 616' ' ' VAL . . . . . . . . . . . . . 58.9 t -82.22 -16.27 11.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.48 -0.762 . . . . 0.0 109.522 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 617' ' ' ASP . . . . . 0.494 ' OD1' ' N ' ' B' ' 618' ' ' GLY . 1.7 p30 -66.29 -46.24 77.67 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.26 -0.9 . . . . 0.0 110.783 -178.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 618' ' ' GLY . . . . . 0.494 ' N ' ' OD1' ' B' ' 617' ' ' ASP . . . -66.63 -32.91 82.86 Favored Glycine 0 N--CA 1.492 2.391 0 C-N-CA 119.773 -1.204 . . . . 0.0 110.301 -179.132 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 619' ' ' LEU . . . . . . . . . . . . . 4.3 mt -68.15 -19.78 64.84 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 120.899 -1.353 . . . . 0.0 108.184 179.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 620' ' ' CYS . . . . . . . . . . . . . 15.7 t -73.85 -52.52 12.75 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.539 -0.726 . . . . 0.0 110.815 -179.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 86.3 p -83.03 -1.78 53.57 Favored 'General case' 0 N--CA 1.503 2.178 0 O-C-N 120.642 -1.287 . . . . 0.0 110.262 -179.252 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 622' ' ' GLU . . . . . 0.426 ' OE1' ' O ' ' B' ' 618' ' ' GLY . 47.2 mt-10 -98.07 -48.14 5.24 Favored 'General case' 0 C--N 1.297 -1.705 0 O-C-N 121.275 -0.891 . . . . 0.0 109.428 178.584 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 623' ' ' LEU . . . . . 0.421 ' CD2' ' CD1' ' B' ' 601' ' ' ILE . 7.3 mp -87.38 -19.32 28.28 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 120.861 -1.149 . . . . 0.0 110.742 -179.444 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 624' ' ' MET . . . . . 0.45 ' SD ' ' C ' ' B' ' 624' ' ' MET . 2.1 tmt? -69.49 -28.0 65.69 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 120.617 -1.302 . . . . 0.0 111.107 -178.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 625' ' ' ALA . . . . . 0.416 ' C ' ' N ' ' B' ' 627' ' ' ALA . . . -104.48 -39.01 6.57 Favored 'General case' 0 N--CA 1.503 2.211 0 O-C-N 120.863 -1.148 . . . . 0.0 108.865 179.308 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 626' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -61.02 -15.35 31.09 Favored 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 106.48 -1.674 . . . . 0.0 106.48 177.359 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 627' ' ' ALA . . . . . 0.416 ' N ' ' C ' ' B' ' 625' ' ' ALA . . . -47.76 147.65 1.84 Allowed 'General case' 0 N--CA 1.49 1.545 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.652 -179.557 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 628' ' ' LYS . . . . . . . . . . . . . 58.8 tttp -121.71 87.15 2.7 Favored 'General case' 0 N--CA 1.496 1.848 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 178.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 629' ' ' CYS . . . . . . . . . . . . . 16.6 t -50.55 133.11 25.5 Favored 'General case' 0 N--CA 1.495 1.78 0 CA-C-O 122.349 1.071 . . . . 0.0 111.931 -177.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 630' ' ' SER . . . . . . . . . . . . . 8.5 t -142.88 160.03 41.11 Favored 'General case' 0 N--CA 1.493 1.676 0 N-CA-C 107.481 -1.303 . . . . 0.0 107.481 178.223 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 631' ' ' GLU . . . . . . . . . . . . . 48.5 tt0 -65.8 -20.61 66.32 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.342 -1.474 . . . . 0.0 109.891 -179.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 11.1 tpt180 -82.66 -15.9 50.3 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.916 -1.115 . . . . 0.0 108.051 178.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 633' ' ' GLY . . . . . . . . . . . . . . . 132.67 -175.07 20.17 Favored Glycine 0 N--CA 1.497 2.764 0 N-CA-C 108.508 -1.837 . . . . 0.0 108.508 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 634' ' ' VAL . . . . . . . . . . . . . 1.4 p -76.8 145.05 10.88 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.347 0 O-C-N 120.819 -1.401 . . . . 0.0 109.461 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 36.0 m -141.04 138.71 34.1 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.835 0 O-C-N 121.146 -0.971 . . . . 0.0 108.879 178.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 636' ' ' ILE . . . . . . . . . . . . . 95.2 mt -133.25 154.36 39.1 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.004 0 O-C-N 121.527 -0.733 . . . . 0.0 109.447 -179.478 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 637' ' ' ASN . . . . . 0.507 ' C ' ' H ' ' B' ' 639' ' ' GLU . 9.4 t-20 -84.36 136.25 33.96 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.267 -0.896 . . . . 0.0 109.584 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -49.18 -9.47 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.614 -0.679 . . . . 0.0 110.509 179.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 639' ' ' GLU . . . . . 0.507 ' H ' ' C ' ' B' ' 637' ' ' ASN . 51.1 tt0 -80.94 -23.94 38.51 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.762 -1.211 . . . . 0.0 111.242 -179.321 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 640' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -85.72 -59.82 2.2 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 120.137 -1.602 . . . . 0.0 108.192 178.148 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 641' ' ' VAL . . . . . 0.483 ' CG1' ' N ' ' B' ' 642' ' ' GLN . 11.8 p -48.6 -52.49 8.78 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 120.957 -1.089 . . . . 0.0 108.747 178.085 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 642' ' ' GLN . . . . . 0.594 HE22 HH21 ' B' ' 604' ' ' ARG . 8.3 tp-100 -54.84 -33.39 61.64 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.98 -1.075 . . . . 0.0 109.073 179.51 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 643' ' ' LEU . . . . . . . . . . . . . 9.6 tp -77.82 -22.74 49.54 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.239 -0.913 . . . . 0.0 108.588 178.348 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 644' ' ' ALA . . . . . . . . . . . . . . . -87.58 -53.37 4.83 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.049 -1.032 . . . . 0.0 108.655 178.144 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 645' ' ' LEU . . . . . . . . . . . . . 75.1 mt -55.88 -26.82 48.95 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.19 -0.944 . . . . 0.0 109.608 179.411 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 646' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -93.82 -7.38 43.5 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.0 -1.062 . . . . 0.0 110.102 -179.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 647' ' ' LYS . . . . . . . . . . . . . 56.0 tttm -92.79 -12.75 30.43 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.046 -1.034 . . . . 0.0 110.02 -179.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 648' ' ' HIS . . . . . 0.404 ' NE2' ' CD ' ' B' ' 622' ' ' GLU . 5.0 m-70 -117.22 15.17 14.92 Favored 'General case' 0 N--CA 1.502 2.168 0 O-C-N 121.355 -0.84 . . . . 0.0 109.894 -179.5 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 649' ' ' MET . . . . . . . . . . . . . 18.5 ttm -96.77 102.87 14.73 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.226 -0.921 . . . . 0.0 109.615 -179.368 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 650' ' ' ASN . . . . . . . . . . . . . 30.4 m120 . . . . . 0 N--CA 1.49 1.553 0 CA-C-O 117.998 -1.001 . . . . 0.0 109.481 179.928 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 279' ' ' ASN . . . . . . . . . . . . . 46.8 t30 . . . . . 0 N--CA 1.491 1.614 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 280' ' ' LEU . . . . . 0.415 ' O ' ' O ' ' A' ' 281' ' ' ASP . 18.5 tp -69.08 120.72 15.37 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.254 -0.903 . . . . 0.0 109.309 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 281' ' ' ASP . . . . . 0.415 ' O ' ' O ' ' A' ' 280' ' ' LEU . 18.8 t0 56.16 104.33 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.232 -0.918 . . . . 0.0 109.483 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 282' ' ' SER . . . . . 0.653 ' HG ' ' H ' ' A' ' 283' ' ' ASN . 40.6 t -51.74 177.31 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.229 -0.92 . . . . 0.0 109.416 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 283' ' ' ASN . . . . . 0.653 ' H ' ' HG ' ' A' ' 282' ' ' SER . 18.6 t-20 51.65 85.82 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.21 -0.931 . . . . 0.0 109.416 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 284' ' ' MET . . . . . . . . . . . . . 45.7 mmm -68.7 135.06 50.73 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.279 -0.888 . . . . 0.0 109.455 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 285' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -71.3 -158.61 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.223 -0.923 . . . . 0.0 109.495 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 286' ' ' SER . . . . . . . . . . . . . 51.4 p -51.13 129.07 23.45 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.236 -0.915 . . . . 0.0 109.477 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 287' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -76.22 97.98 4.31 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.226 -0.921 . . . . 0.0 109.464 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 288' ' ' ASP . . . . . 0.445 ' N ' ' OD1' ' A' ' 288' ' ' ASP . 27.0 p-10 -166.3 160.94 16.31 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.265 -0.897 . . . . 0.0 109.433 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 289' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -70.88 -32.59 69.62 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.3 -0.875 . . . . 0.0 109.504 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 290' ' ' ASN . . . . . 0.525 ' CG ' ' H ' ' A' ' 291' ' ' PHE . 10.8 t-20 -67.44 -156.96 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.277 -0.889 . . . . 0.0 109.39 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 291' ' ' PHE . . . . . 0.525 ' H ' ' CG ' ' A' ' 290' ' ' ASN . 87.0 t80 -170.22 16.15 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.21 -0.931 . . . . 0.0 109.462 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 292' ' ' GLU . . . . . 0.423 ' O ' ' O ' ' A' ' 293' ' ' ASN . 11.8 pt-20 -78.56 -20.78 49.83 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.258 -0.901 . . . . 0.0 109.551 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 293' ' ' ASN . . . . . 0.423 ' O ' ' O ' ' A' ' 292' ' ' GLU . 6.1 m120 52.08 97.31 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.324 -0.86 . . . . 0.0 109.222 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 294' ' ' GLN . . . . . . . . . . . . . 51.9 tp60 -71.93 -51.05 23.99 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.245 -0.909 . . . . 0.0 109.596 -179.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 295' ' ' PHE . . . . . 0.516 ' CD2' ' O ' ' A' ' 295' ' ' PHE . 77.1 t80 -167.14 34.0 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.515 -0.741 . . . . 0.0 109.317 -179.737 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 296' ' ' ASP . . . . . 0.519 ' O ' ' N ' ' A' ' 298' ' ' GLN . 21.6 t70 -72.86 -103.38 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.282 -0.886 . . . . 0.0 109.5 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 297' ' ' GLU . . . . . 0.472 ' N ' ' OD2' ' A' ' 296' ' ' ASP . 8.4 pt-20 33.87 31.43 0.01 OUTLIER 'General case' 0 N--CA 1.503 2.177 0 CA-C-O 121.291 0.567 . . . . 0.0 110.93 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 298' ' ' GLN . . . . . 0.519 ' N ' ' O ' ' A' ' 296' ' ' ASP . 26.9 mt-30 -151.61 -36.42 0.13 Allowed 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.344 -0.847 . . . . 0.0 109.028 179.678 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 299' ' ' VAL . . . . . 0.473 ' O ' ' OG ' ' A' ' 300' ' ' SER . 3.7 m 34.9 97.06 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.499 1.989 0 CA-C-O 122.357 1.075 . . . . 0.0 111.077 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 300' ' ' SER . . . . . 0.56 ' C ' ' N ' ' A' ' 302' ' ' PHE . 2.4 m 166.67 22.86 0.0 OUTLIER 'General case' 0 C--N 1.294 -1.814 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.119 178.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 301' ' ' GLU . . . . . 0.515 ' CD ' ' H ' ' A' ' 301' ' ' GLU . 11.5 mp0 -49.28 -19.81 0.55 Allowed 'General case' 0 N--CA 1.493 1.675 0 N-CA-C 105.964 -1.865 . . . . 0.0 105.964 177.616 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 302' ' ' PHE . . . . . 0.56 ' N ' ' C ' ' A' ' 300' ' ' SER . 5.3 t80 -72.94 -64.78 0.9 Allowed 'General case' 0 C--N 1.306 -1.32 0 CA-C-N 114.263 -1.335 . . . . 0.0 109.377 178.299 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 303' ' ' CYS . . . . . . . . . . . . . 9.7 m -63.25 -47.55 81.96 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.238 -0.914 . . . . 0.0 109.993 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 34.5 t -49.23 -32.67 11.05 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.348 -0.845 . . . . 0.0 110.949 -179.125 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . 11.0 mptt -100.33 -13.46 18.79 Favored 'General case' 0 N--CA 1.503 2.194 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 178.414 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 306' ' ' MET . . . . . . . . . . . . . 5.4 ttt -73.79 -29.13 62.01 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 120.487 -1.383 . . . . 0.0 107.523 177.292 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 307' ' ' ASN . . . . . 0.442 ' O ' ' C ' ' A' ' 308' ' ' GLN . 33.2 m120 -82.38 -40.12 21.76 Favored 'General case' 0 N--CA 1.492 1.625 0 N-CA-C 106.299 -1.741 . . . . 0.0 106.299 179.46 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 308' ' ' GLN . . . . . 0.522 ' O ' ' N ' ' A' ' 310' ' ' CYS . 5.8 tm0? -36.75 -39.71 0.23 Allowed 'General case' 0 N--CA 1.502 2.14 0 CA-C-O 121.54 0.686 . . . . 0.0 109.25 178.816 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 309' ' ' VAL . . . . . . . . . . . . . 17.5 m -44.66 -17.67 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.499 2.007 0 CA-C-O 121.553 0.692 . . . . 0.0 109.292 178.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 310' ' ' CYS . . . . . 0.522 ' N ' ' O ' ' A' ' 308' ' ' GLN . 7.4 m -93.21 25.94 3.1 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.546 -0.722 . . . . 0.0 109.211 179.68 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 311' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 308' ' ' GLN . . . -71.77 121.13 8.47 Favored Glycine 0 N--CA 1.49 2.3 0 N-CA-C 109.526 -1.43 . . . . 0.0 109.526 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 312' ' ' THR . . . . . . . . . . . . . 41.6 m -129.76 102.68 6.43 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.581 -0.952 . . . . 0.0 109.359 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 313' ' ' ARG . . . . . . . . . . . . . 41.4 ttp180 . . . . . 0 N--CA 1.49 1.565 0 CA-C-O 117.984 -1.007 . . . . 0.0 109.514 -179.968 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 565' ' ' ASN . . . . . . . . . . . . . 5.9 p30 . . . . . 0 N--CA 1.491 1.611 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 566' ' ' GLY . . . . . . . . . . . . . . . 65.74 178.6 8.05 Favored Glycine 0 N--CA 1.49 2.3 0 N-CA-C 109.557 -1.417 . . . . 0.0 109.557 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 567' ' ' SER . . . . . . . . . . . . . 88.3 p -63.7 -40.34 96.56 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.229 -1.159 . . . . 0.0 109.443 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 568' ' ' SER . . . . . . . . . . . . . 9.9 t 55.01 48.54 19.61 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.241 -0.912 . . . . 0.0 109.654 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 569' ' ' LEU . . . . . . . . . . . . . 35.1 mt -70.82 90.2 0.79 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.163 -0.961 . . . . 0.0 109.39 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 570' ' ' GLN . . . . . . . . . . . . . 60.6 mm-40 52.06 -140.58 0.89 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.307 -0.871 . . . . 0.0 109.464 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 571' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -66.87 131.91 46.9 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.346 -0.846 . . . . 0.0 109.482 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 572' ' ' ALA . . . . . 0.527 ' O ' ' N ' ' B' ' 574' ' ' LYS . . . -166.94 -101.64 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.284 -0.885 . . . . 0.0 109.45 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 573' ' ' ASP . . . . . . . . . . . . . 12.9 t70 61.49 -73.17 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.497 -0.752 . . . . 0.0 109.789 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 574' ' ' LYS . . . . . 0.527 ' N ' ' O ' ' B' ' 572' ' ' ALA . 95.3 mttt -47.03 -55.83 7.53 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.205 -0.934 . . . . 0.0 109.762 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 575' ' ' ILE . . . . . . . . . . . . . 91.2 mt 51.83 -88.91 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.397 -0.814 . . . . 0.0 109.512 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 576' ' ' ASN . . . . . 0.523 ' N ' ' O ' ' B' ' 574' ' ' LYS . 15.2 m120 -78.26 -98.21 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.246 -0.909 . . . . 0.0 109.395 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 577' ' ' ASN . . . . . 0.623 ' N ' HD21 ' B' ' 577' ' ' ASN . 1.1 m120 50.59 -103.0 0.12 Allowed 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.293 -0.88 . . . . 0.0 109.548 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 578' ' ' GLY . . . . . 0.465 ' C ' ' H ' ' B' ' 580' ' ' ASP . . . 72.49 92.11 0.1 Allowed Glycine 0 N--CA 1.49 2.27 0 N-CA-C 109.592 -1.403 . . . . 0.0 109.592 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 579' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -66.03 2.35 1.14 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.304 -1.115 . . . . 0.0 109.543 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 580' ' ' ASP . . . . . 0.465 ' H ' ' C ' ' B' ' 578' ' ' GLY . 20.9 m-20 -63.33 166.53 6.25 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.193 -0.942 . . . . 0.0 109.51 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 581' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -69.36 60.55 0.13 Allowed 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.189 -0.945 . . . . 0.0 109.26 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 582' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' B' ' 580' ' ' ASP . 23.9 m-20 -74.48 -3.77 32.74 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.331 -0.856 . . . . 0.0 109.216 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 583' ' ' ASN . . . . . . . . . . . . . 36.4 m120 -65.36 -2.02 2.86 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.315 -0.865 . . . . 0.0 109.482 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 584' ' ' ASP . . . . . 0.42 ' H ' ' C ' ' B' ' 582' ' ' ASP . 9.0 p-10 -170.55 -160.0 0.2 Allowed 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.221 -0.924 . . . . 0.0 109.48 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 585' ' ' ASN . . . . . . . . . . . . . 56.0 t30 -164.03 102.96 0.88 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.172 -0.955 . . . . 0.0 109.409 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 586' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -157.63 104.51 1.98 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.277 -0.889 . . . . 0.0 109.322 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 587' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -149.02 -161.65 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.4 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 588' ' ' VAL . . . . . . . . . . . . . 3.9 m -151.45 69.28 8.01 Favored Pre-proline 0 N--CA 1.492 1.667 0 O-C-N 121.3 -0.875 . . . . 0.0 109.509 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 589' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -62.13 161.33 26.84 Favored 'Trans proline' 0 C--N 1.318 -1.045 0 C-N-CA 121.423 1.415 . . . . 0.0 109.772 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 590' ' ' SER . . . . . . . . . . . . . 46.0 t -67.16 131.52 45.95 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.314 -0.866 . . . . 0.0 109.519 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 591' ' ' LYS . . . . . . . . . . . . . 9.3 ptmm? -168.85 -156.96 0.17 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.233 -0.917 . . . . 0.0 109.384 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -64.06 118.77 8.98 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.309 -0.87 . . . . 0.0 109.497 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 593' ' ' GLY . . . . . . . . . . . . . . . -162.01 82.52 0.13 Allowed Glycine 0 N--CA 1.49 2.27 0 N-CA-C 109.37 -1.492 . . . . 0.0 109.37 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 594' ' ' SER . . . . . . . . . . . . . 67.1 m -83.33 165.6 19.17 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.17 -1.194 . . . . 0.0 110.054 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 595' ' ' LEU . . . . . 0.533 ' CD1' ' N ' ' B' ' 595' ' ' LEU . 7.4 mp -92.08 123.61 35.56 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 179.705 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 596' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -125.94 148.0 49.35 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.348 -0.845 . . . . 0.0 109.284 -179.659 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 597' ' ' ARG . . . . . 0.536 ' NH1' ' O ' ' B' ' 632' ' ' ARG . 2.4 tpp180 -89.67 -147.72 0.18 Allowed 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.434 -0.791 . . . . 0.0 111.025 -178.201 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 598' ' ' CYS . . . . . 0.505 ' H ' ' CG ' ' B' ' 597' ' ' ARG . 9.3 t -79.83 -92.25 0.05 OUTLIER 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.637 -0.665 . . . . 0.0 110.73 -178.774 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 599' ' ' SER . . . . . 0.49 ' N ' ' SG ' ' B' ' 598' ' ' CYS . 13.7 m -44.79 -20.88 0.04 OUTLIER 'General case' 0 N--CA 1.497 1.91 0 CA-C-O 122.267 1.032 . . . . 0.0 108.971 -179.525 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 600' ' ' GLU . . . . . 0.497 ' N ' ' O ' ' B' ' 598' ' ' CYS . 4.5 tp10 -48.9 -45.93 41.99 Favored 'General case' 0 C--N 1.297 -1.675 0 CA-C-O 122.96 1.362 . . . . 0.0 108.603 179.079 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 601' ' ' ILE . . . . . 0.57 ' O ' ' N ' ' B' ' 604' ' ' ARG . 1.1 mp -64.18 -33.66 63.92 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.188 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 -178.073 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 602' ' ' TRP . . . . . . . . . . . . . 48.1 t-105 -46.99 -41.33 16.12 Favored 'General case' 0 N--CA 1.493 1.712 0 N-CA-C 107.56 -1.274 . . . . 0.0 107.56 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 603' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -60.19 -41.03 92.04 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 107.138 -1.43 . . . . 0.0 107.138 177.432 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 604' ' ' ARG . . . . . 0.57 ' N ' ' O ' ' B' ' 601' ' ' ILE . 12.3 tpt180 -55.94 -46.23 78.57 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.518 -0.739 . . . . 0.0 109.091 178.6 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 605' ' ' ILE . . . . . . . . . . . . . 1.8 mp -62.33 -44.87 99.65 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.92 0 O-C-N 121.237 -0.914 . . . . 0.0 109.14 178.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 606' ' ' THR . . . . . 0.659 ' HG1' ' H ' ' B' ' 607' ' ' THR . 66.7 p -62.0 -54.07 46.75 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.904 -1.123 . . . . 0.0 110.195 -179.062 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 607' ' ' THR . . . . . 0.659 ' H ' ' HG1' ' B' ' 606' ' ' THR . 49.0 p -66.64 12.14 0.08 Allowed 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.933 -1.104 . . . . 0.0 110.554 -179.097 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 608' ' ' HIS . . . . . 0.527 ' H ' ' C ' ' B' ' 606' ' ' THR . 0.3 OUTLIER -117.4 83.96 17.42 Favored Pre-proline 0 N--CA 1.501 2.122 0 O-C-N 121.231 -0.918 . . . . 0.0 109.799 -179.699 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 609' ' ' PRO . . . . . 0.481 ' C ' ' H ' ' B' ' 611' ' ' TYR . 3.0 Cg_exo -59.16 -2.84 1.39 Allowed 'Trans proline' 0 C--N 1.322 -0.863 0 C-N-CA 121.278 1.319 . . . . 0.0 109.842 179.673 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 610' ' ' LYS . . . . . 0.473 ' H ' ' C ' ' B' ' 608' ' ' HIS . 35.2 mtmm -65.78 0.67 1.63 Allowed 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.171 -0.955 . . . . 0.0 108.965 179.642 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 611' ' ' TYR . . . . . 0.481 ' H ' ' C ' ' B' ' 609' ' ' PRO . 0.2 OUTLIER -49.44 132.1 20.66 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 179.747 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 612' ' ' SER . . . . . . . . . . . . . 11.5 p -175.64 -22.78 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.182 -0.949 . . . . 0.0 109.134 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 613' ' ' ASP . . . . . 0.482 ' O ' ' O ' ' B' ' 614' ' ' ILE . 11.9 t0 -170.09 -87.91 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.338 -0.851 . . . . 0.0 109.152 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 614' ' ' ILE . . . . . 0.482 ' O ' ' O ' ' B' ' 613' ' ' ASP . 75.4 mt 50.9 169.72 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 O-C-N 121.463 -0.773 . . . . 0.0 110.899 178.794 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 615' ' ' ASP . . . . . 0.463 ' N ' ' CG2' ' B' ' 614' ' ' ILE . 40.9 t0 -127.15 116.44 20.65 Favored 'General case' 0 N--CA 1.493 1.7 0 N-CA-C 107.91 -1.144 . . . . 0.0 107.91 179.324 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 616' ' ' VAL . . . . . . . . . . . . . 16.1 m -79.81 -15.97 13.07 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 121.518 -0.739 . . . . 0.0 109.452 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 617' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -70.12 -40.32 74.92 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.287 -0.883 . . . . 0.0 109.839 -179.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 618' ' ' GLY . . . . . . . . . . . . . . . -68.14 -41.13 87.55 Favored Glycine 0 N--CA 1.49 2.245 0 N-CA-C 110.055 -1.218 . . . . 0.0 110.055 -179.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 619' ' ' LEU . . . . . . . . . . . . . 9.3 mt -59.64 -28.92 67.65 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.054 -1.262 . . . . 0.0 108.823 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 620' ' ' CYS . . . . . . . . . . . . . 44.7 t -67.57 -51.65 47.98 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.397 -0.814 . . . . 0.0 110.869 -178.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 89.9 p -81.11 -2.0 46.59 Favored 'General case' 0 N--CA 1.5 2.06 0 O-C-N 120.441 -1.412 . . . . 0.0 109.811 -179.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 622' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -100.47 -46.98 5.05 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.268 -0.895 . . . . 0.0 109.41 178.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 623' ' ' LEU . . . . . . . . . . . . . 6.3 mt -86.24 -18.35 32.33 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 120.571 -1.33 . . . . 0.0 110.216 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 624' ' ' MET . . . . . 0.461 ' SD ' ' O ' ' B' ' 624' ' ' MET . 1.1 tmt? -76.88 -26.47 54.22 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 120.747 -1.221 . . . . 0.0 111.75 -178.231 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 625' ' ' ALA . . . . . 0.515 ' C ' ' H ' ' B' ' 627' ' ' ALA . . . -105.45 -30.14 9.77 Favored 'General case' 0 N--CA 1.507 2.39 0 O-C-N 120.717 -1.239 . . . . 0.0 109.967 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 626' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -62.26 -8.27 5.52 Favored 'General case' 0 N--CA 1.49 1.533 0 N-CA-C 106.028 -1.842 . . . . 0.0 106.028 177.089 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 627' ' ' ALA . . . . . 0.515 ' H ' ' C ' ' B' ' 625' ' ' ALA . . . -46.08 143.67 2.21 Favored 'General case' 0 N--CA 1.49 1.542 0 CA-C-N 115.305 -0.862 . . . . 0.0 111.936 -179.686 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 628' ' ' LYS . . . . . . . . . . . . . 66.1 mmtt -118.21 96.16 5.2 Favored 'General case' 0 N--CA 1.495 1.819 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 178.435 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 629' ' ' CYS . . . . . . . . . . . . . 18.3 t -56.48 120.46 7.73 Favored 'General case' 0 N--CA 1.494 1.765 0 CA-C-O 122.333 1.063 . . . . 0.0 111.83 -178.041 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 630' ' ' SER . . . . . . . . . . . . . 45.8 t -143.06 158.89 43.19 Favored 'General case' 0 N--CA 1.495 1.784 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 178.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 631' ' ' GLU . . . . . 0.586 ' C ' ' H ' ' B' ' 633' ' ' GLY . 2.4 mp0 -64.17 -23.3 67.26 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.266 -1.521 . . . . 0.0 108.87 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 632' ' ' ARG . . . . . 0.573 ' CG ' HH11 ' B' ' 632' ' ' ARG . 0.1 OUTLIER -78.09 34.78 0.2 Allowed 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 107.279 -1.378 . . . . 0.0 107.279 177.649 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 633' ' ' GLY . . . . . 0.586 ' H ' ' C ' ' B' ' 631' ' ' GLU . . . 68.74 -169.25 42.15 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 107.219 -2.353 . . . . 0.0 107.219 -178.069 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 634' ' ' VAL . . . . . . . . . . . . . 7.5 p -77.31 142.21 14.54 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.535 0 O-C-N 120.22 -1.753 . . . . 0.0 109.612 179.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 17.1 m -136.97 138.38 45.94 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.958 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 178.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 636' ' ' ILE . . . . . . . . . . . . . 97.6 mt -135.32 155.06 36.67 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.975 0 O-C-N 121.494 -0.754 . . . . 0.0 109.473 -179.138 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 637' ' ' ASN . . . . . 0.472 ' C ' ' H ' ' B' ' 639' ' ' GLU . 3.4 m-80 -88.59 139.0 30.92 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.157 -0.964 . . . . 0.0 110.292 -179.382 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -49.39 -9.9 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.704 -0.622 . . . . 0.0 110.893 179.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 639' ' ' GLU . . . . . 0.472 ' H ' ' C ' ' B' ' 637' ' ' ASN . 7.3 tm-20 -76.26 -18.31 59.06 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.882 -1.136 . . . . 0.0 109.887 179.343 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 640' ' ' ASP . . . . . 0.525 ' N ' ' OD1' ' B' ' 640' ' ' ASP . 0.6 OUTLIER -86.93 -55.8 3.68 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 120.333 -1.479 . . . . 0.0 108.658 177.811 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 641' ' ' VAL . . . . . 0.449 HG13 ' H ' ' B' ' 642' ' ' GLN . 0.3 OUTLIER -53.93 -52.95 31.17 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 O-C-N 120.661 -1.274 . . . . 0.0 108.259 178.843 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 642' ' ' GLN . . . . . 0.449 ' H ' HG13 ' B' ' 641' ' ' VAL . 33.9 mt-30 -55.44 -34.16 64.22 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.088 -1.007 . . . . 0.0 109.194 179.796 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 643' ' ' LEU . . . . . . . . . . . . . 35.6 tp -82.06 -23.62 35.73 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.283 -0.886 . . . . 0.0 108.868 178.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 644' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' B' ' 640' ' ' ASP . . . -86.13 -40.01 16.12 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 120.927 -1.108 . . . . 0.0 108.956 178.643 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 645' ' ' LEU . . . . . 0.54 ' O ' ' N ' ' B' ' 647' ' ' LYS . 82.7 mt -70.61 -68.6 0.42 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.738 -1.226 . . . . 0.0 109.257 178.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 646' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -47.12 -9.95 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.187 -0.946 . . . . 0.0 110.744 -179.232 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 647' ' ' LYS . . . . . 0.54 ' N ' ' O ' ' B' ' 645' ' ' LEU . 52.9 tttp -88.85 -12.86 40.69 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 120.828 -1.17 . . . . 0.0 109.917 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 648' ' ' HIS . . . . . . . . . . . . . 62.4 m-70 -112.37 19.57 17.51 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 121.385 -0.822 . . . . 0.0 109.14 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 649' ' ' MET . . . . . . . . . . . . . 23.7 mmt -96.47 129.25 43.88 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.271 -0.893 . . . . 0.0 109.514 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 650' ' ' ASN . . . . . . . . . . . . . 30.3 m120 . . . . . 0 N--CA 1.491 1.59 0 CA-C-O 118.019 -0.991 . . . . 0.0 109.444 -179.942 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 279' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 280' ' ' LEU . . . . . 0.436 ' O ' ' O ' ' A' ' 281' ' ' ASP . 0.3 OUTLIER -163.66 9.92 0.05 Allowed 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.154 -0.967 . . . . 0.0 109.399 179.926 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 281' ' ' ASP . . . . . 0.436 ' O ' ' O ' ' A' ' 280' ' ' LEU . 8.9 t0 59.27 116.93 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.388 -0.82 . . . . 0.0 109.764 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 282' ' ' SER . . . . . . . . . . . . . 37.7 m -164.22 129.61 2.86 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.214 -0.929 . . . . 0.0 109.398 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 283' ' ' ASN . . . . . . . . . . . . . 19.7 p-10 -169.47 -42.25 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.152 -0.968 . . . . 0.0 109.598 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 284' ' ' MET . . . . . . . . . . . . . 16.5 mmt -138.17 86.51 2.17 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.297 -0.877 . . . . 0.0 109.366 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 285' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -66.13 -162.05 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.239 -0.913 . . . . 0.0 109.395 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 286' ' ' SER . . . . . 0.481 ' O ' ' N ' ' A' ' 288' ' ' ASP . 1.3 m 64.93 -179.05 0.18 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.405 -0.809 . . . . 0.0 109.536 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 287' ' ' ASN . . . . . . . . . . . . . 45.8 t30 -56.27 87.48 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.275 -0.891 . . . . 0.0 109.664 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 288' ' ' ASP . . . . . 0.481 ' N ' ' O ' ' A' ' 286' ' ' SER . 43.7 p-10 -79.71 -153.68 0.08 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.224 -0.922 . . . . 0.0 109.338 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 289' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -171.13 -25.25 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.267 -0.896 . . . . 0.0 109.498 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 290' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -73.61 -20.26 60.65 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.29 -0.881 . . . . 0.0 109.601 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 291' ' ' PHE . . . . . 0.474 ' CD2' ' N ' ' A' ' 292' ' ' GLU . 80.8 t80 -76.75 -96.45 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.195 -0.941 . . . . 0.0 109.518 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 292' ' ' GLU . . . . . 0.474 ' N ' ' CD2' ' A' ' 291' ' ' PHE . 42.3 mt-10 -152.81 -50.9 0.1 Allowed 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.22 -0.925 . . . . 0.0 109.361 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 293' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -165.67 73.25 0.18 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.272 -0.893 . . . . 0.0 109.53 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 294' ' ' GLN . . . . . 0.524 ' C ' ' H ' ' A' ' 296' ' ' ASP . 16.6 mt-30 52.62 -118.45 1.33 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.2 -0.937 . . . . 0.0 109.476 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 295' ' ' PHE . . . . . . . . . . . . . 14.9 t80 66.44 -42.21 0.39 Allowed 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.508 -0.745 . . . . 0.0 109.684 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 296' ' ' ASP . . . . . 0.524 ' H ' ' C ' ' A' ' 294' ' ' GLN . 5.4 m-20 -52.62 -62.96 1.31 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.222 -0.924 . . . . 0.0 109.519 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 297' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -48.6 116.0 1.45 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.193 -0.942 . . . . 0.0 109.68 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 298' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -161.98 -36.48 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.29 -0.882 . . . . 0.0 109.34 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 299' ' ' VAL . . . . . 0.42 ' CG2' ' H ' ' A' ' 300' ' ' SER . 2.9 m -77.83 -108.44 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.248 -0.908 . . . . 0.0 109.209 179.766 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 300' ' ' SER . . . . . 0.532 ' O ' ' N ' ' A' ' 304' ' ' SER . 5.2 t 54.98 -133.28 1.7 Allowed 'General case' 0 C--N 1.298 -1.637 0 O-C-N 121.344 -0.847 . . . . 0.0 110.85 178.135 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 301' ' ' GLU . . . . . 0.431 ' OE2' ' O ' ' A' ' 301' ' ' GLU . 0.8 OUTLIER -45.13 -36.3 3.63 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.667 -0.646 . . . . 0.0 109.485 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 302' ' ' PHE . . . . . . . . . . . . . 31.4 t80 -61.26 -60.62 3.46 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.392 -0.818 . . . . 0.0 109.323 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 303' ' ' CYS . . . . . . . . . . . . . 7.0 t -79.53 -49.21 12.58 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.252 -0.905 . . . . 0.0 110.173 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 304' ' ' SER . . . . . 0.532 ' N ' ' O ' ' A' ' 300' ' ' SER . 31.3 t -52.89 -25.79 12.81 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.385 -0.822 . . . . 0.0 110.76 -179.124 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . 32.4 ttpt -98.57 -14.8 19.77 Favored 'General case' 0 N--CA 1.504 2.26 0 O-C-N 120.994 -1.066 . . . . 0.0 108.141 178.409 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 306' ' ' MET . . . . . . . . . . . . . 36.8 ttm -74.67 -21.41 59.43 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 176.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 307' ' ' ASN . . . . . 0.46 ' O ' ' N ' ' A' ' 310' ' ' CYS . 74.0 m-20 -84.62 -40.29 17.65 Favored 'General case' 0 N--CA 1.492 1.666 0 N-CA-C 106.033 -1.84 . . . . 0.0 106.033 178.296 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 308' ' ' GLN . . . . . 0.527 ' O ' ' N ' ' A' ' 311' ' ' GLY . 32.0 tp60 -38.39 -43.61 0.84 Allowed 'General case' 0 N--CA 1.502 2.139 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.375 178.22 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 309' ' ' VAL . . . . . . . . . . . . . 42.6 t -46.91 -16.36 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.893 0 CA-C-O 122.133 0.968 . . . . 0.0 108.951 179.497 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 310' ' ' CYS . . . . . 0.52 ' N ' ' O ' ' A' ' 308' ' ' GLN . 47.1 m -88.38 12.75 13.34 Favored 'General case' 0 C--N 1.302 -1.459 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.652 179.551 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 311' ' ' GLY . . . . . 0.527 ' N ' ' O ' ' A' ' 308' ' ' GLN . . . -84.49 118.45 4.73 Favored Glycine 0 N--CA 1.493 2.453 0 N-CA-C 109.411 -1.476 . . . . 0.0 109.411 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 312' ' ' THR . . . . . . . . . . . . . 29.5 m -77.15 127.09 32.03 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.216 -1.167 . . . . 0.0 109.444 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 313' ' ' ARG . . . . . . . . . . . . . 31.6 ptt180 . . . . . 0 N--CA 1.49 1.546 0 CA-C-O 118.036 -0.983 . . . . 0.0 109.498 -179.992 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 565' ' ' ASN . . . . . 0.445 ' C ' ' H ' ' B' ' 567' ' ' SER . 39.5 t-20 . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 566' ' ' GLY . . . . . . . . . . . . . . . 69.82 -5.77 5.73 Favored Glycine 0 N--CA 1.489 2.217 0 N-CA-C 109.588 -1.405 . . . . 0.0 109.588 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 567' ' ' SER . . . . . 0.678 ' HG ' ' H ' ' B' ' 568' ' ' SER . 13.3 t 53.21 -162.13 0.11 Allowed 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.264 -1.139 . . . . 0.0 109.439 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 568' ' ' SER . . . . . 0.678 ' H ' ' HG ' ' B' ' 567' ' ' SER . 78.3 p -73.25 -167.22 0.39 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.268 -0.895 . . . . 0.0 109.459 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 569' ' ' LEU . . . . . . . . . . . . . 55.7 tp -74.76 98.36 3.46 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.298 -0.876 . . . . 0.0 109.19 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 570' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -74.78 -14.62 60.72 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.269 -0.895 . . . . 0.0 109.548 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 571' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -58.06 -30.25 66.03 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.223 -0.923 . . . . 0.0 109.515 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -166.87 105.34 0.59 Allowed 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.185 -0.947 . . . . 0.0 109.462 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 573' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -169.69 68.77 0.06 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.225 -0.922 . . . . 0.0 109.469 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 574' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -167.19 45.14 0.05 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.209 -0.932 . . . . 0.0 109.343 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 575' ' ' ILE . . . . . 0.557 ' CD1' ' N ' ' B' ' 575' ' ' ILE . 1.7 mp -83.13 111.42 19.36 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.246 -0.909 . . . . 0.0 109.216 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 576' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -68.41 66.36 0.12 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.199 -0.938 . . . . 0.0 109.478 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 577' ' ' ASN . . . . . 0.424 ' N ' ' O ' ' B' ' 575' ' ' ILE . 15.7 p-10 -74.07 104.51 4.92 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.242 -0.912 . . . . 0.0 109.468 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 578' ' ' GLY . . . . . . . . . . . . . . . -178.74 71.19 0.07 OUTLIER Glycine 0 N--CA 1.49 2.248 0 N-CA-C 109.527 -1.429 . . . . 0.0 109.527 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 579' ' ' ASN . . . . . . . . . . . . . 46.2 t-20 52.59 92.57 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.264 -1.139 . . . . 0.0 109.485 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 580' ' ' ASP . . . . . 0.431 ' OD1' ' N ' ' B' ' 580' ' ' ASP . 18.1 p-10 -171.23 135.29 0.96 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.284 -0.885 . . . . 0.0 109.483 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 581' ' ' ASN . . . . . . . . . . . . . 63.3 t30 52.48 91.64 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.28 -0.887 . . . . 0.0 109.465 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 582' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -170.72 67.53 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.177 -0.952 . . . . 0.0 109.441 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 583' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -65.49 -34.7 78.88 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.31 -0.869 . . . . 0.0 109.449 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 584' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -61.14 153.77 24.95 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.276 -0.89 . . . . 0.0 109.455 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 585' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -62.67 -23.72 67.26 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.283 -0.886 . . . . 0.0 109.471 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 586' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -70.48 159.03 35.02 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.196 -0.94 . . . . 0.0 109.542 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 587' ' ' VAL . . . . . 0.428 ' CG2' ' N ' ' B' ' 588' ' ' VAL . 2.8 p -175.15 160.55 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.284 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 588' ' ' VAL . . . . . 0.428 ' N ' ' CG2' ' B' ' 587' ' ' VAL . 12.0 p -77.72 133.57 66.29 Favored Pre-proline 0 C--N 1.293 -1.865 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 589' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -59.9 130.68 35.82 Favored 'Trans proline' 0 C--O 1.216 -0.596 0 N-CA-C 109.612 -0.957 . . . . 0.0 109.612 179.602 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 590' ' ' SER . . . . . . . . . . . . . 25.4 t -174.46 143.55 0.83 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.236 -0.915 . . . . 0.0 109.452 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 591' ' ' LYS . . . . . 0.525 ' O ' ' N ' ' B' ' 593' ' ' GLY . 0.3 OUTLIER -172.46 52.88 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.252 -0.905 . . . . 0.0 109.445 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 79.0 mt-10 -48.96 91.67 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.28 -0.887 . . . . 0.0 109.47 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 593' ' ' GLY . . . . . 0.525 ' N ' ' O ' ' B' ' 591' ' ' LYS . . . 157.56 155.2 7.41 Favored Glycine 0 N--CA 1.488 2.133 0 N-CA-C 109.062 -1.615 . . . . 0.0 109.062 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 594' ' ' SER . . . . . . . . . . . . . 57.9 m -90.93 164.25 14.08 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.127 -1.219 . . . . 0.0 110.34 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 595' ' ' LEU . . . . . . . . . . . . . 30.4 mt -81.41 118.7 22.9 Favored 'General case' 0 C--N 1.299 -1.612 0 N-CA-C 108.75 -0.834 . . . . 0.0 108.75 179.234 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 596' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -126.98 153.88 45.31 Favored 'General case' 0 N--CA 1.506 2.341 0 O-C-N 121.461 -0.774 . . . . 0.0 109.101 -179.078 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 597' ' ' ARG . . . . . 0.558 HH11 ' CG ' ' B' ' 597' ' ' ARG . 3.4 mtt-85 -103.45 -144.48 0.36 Allowed 'General case' 0 N--CA 1.501 2.107 0 O-C-N 121.418 -0.801 . . . . 0.0 111.359 -178.309 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 598' ' ' CYS . . . . . 0.492 ' O ' ' N ' ' B' ' 600' ' ' GLU . 5.1 p -76.02 -99.73 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.619 -0.676 . . . . 0.0 111.226 -178.366 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 599' ' ' SER . . . . . 0.412 ' N ' ' SG ' ' B' ' 598' ' ' CYS . 1.8 t -43.79 -21.6 0.04 OUTLIER 'General case' 0 N--CA 1.497 1.906 0 CA-C-O 121.855 0.836 . . . . 0.0 109.526 -178.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 600' ' ' GLU . . . . . 0.492 ' N ' ' O ' ' B' ' 598' ' ' CYS . 9.6 tp10 -46.72 -40.75 13.95 Favored 'General case' 0 C--N 1.302 -1.481 0 CA-C-O 122.961 1.363 . . . . 0.0 108.459 179.039 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 601' ' ' ILE . . . . . 0.528 ' O ' ' N ' ' B' ' 604' ' ' ARG . 1.1 mp -70.51 -35.8 63.26 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.151 0 CA-C-N 115.243 -0.89 . . . . 0.0 108.932 -178.759 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 602' ' ' TRP . . . . . 0.409 ' C ' ' O ' ' B' ' 601' ' ' ILE . 72.9 t-105 -44.22 -38.07 3.57 Favored 'General case' 0 N--CA 1.496 1.837 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 603' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -69.71 -42.6 73.83 Favored 'General case' 0 C--N 1.302 -1.463 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 177.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 604' ' ' ARG . . . . . 0.528 ' N ' ' O ' ' B' ' 601' ' ' ILE . 13.6 tpt180 -58.05 -27.76 63.9 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.441 -0.787 . . . . 0.0 110.02 179.256 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 605' ' ' ILE . . . . . . . . . . . . . 69.5 mt -84.25 -42.87 17.29 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.922 0 O-C-N 121.372 -0.83 . . . . 0.0 110.637 -179.214 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 606' ' ' THR . . . . . . . . . . . . . 40.9 p -59.38 -49.42 77.86 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.936 -1.103 . . . . 0.0 110.056 -179.233 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 607' ' ' THR . . . . . . . . . . . . . 8.3 t -59.7 -43.93 93.87 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.165 -0.96 . . . . 0.0 110.152 -179.394 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 608' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -47.03 110.07 1.2 Allowed Pre-proline 0 N--CA 1.49 1.548 0 O-C-N 121.169 -0.957 . . . . 0.0 109.821 -179.569 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 609' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -60.21 -9.12 9.65 Favored 'Trans proline' 0 C--O 1.216 -0.625 0 N-CA-C 109.208 -1.112 . . . . 0.0 109.208 179.609 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 610' ' ' LYS . . . . . 0.506 ' O ' ' O ' ' B' ' 611' ' ' TYR . 25.1 mmtm -77.78 -108.87 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 107.961 -1.125 . . . . 0.0 107.961 178.604 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 611' ' ' TYR . . . . . 0.506 ' O ' ' O ' ' B' ' 610' ' ' LYS . 59.2 t80 43.39 101.48 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.54 -0.725 . . . . 0.0 110.397 178.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 612' ' ' SER . . . . . . . . . . . . . 11.5 t -175.33 -36.14 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.519 0 O-C-N 120.647 -1.283 . . . . 0.0 109.549 179.473 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 613' ' ' ASP . . . . . . . . . . . . . 64.2 t0 -140.93 62.64 1.47 Allowed 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.287 -0.883 . . . . 0.0 109.689 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 614' ' ' ILE . . . . . 0.519 ' CG2' ' H ' ' B' ' 615' ' ' ASP . 94.5 mt -121.41 177.04 3.67 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.051 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 -179.691 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 615' ' ' ASP . . . . . 0.519 ' H ' ' CG2' ' B' ' 614' ' ' ILE . 3.6 m-20 -113.26 109.89 19.48 Favored 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 107.179 -1.415 . . . . 0.0 107.179 178.44 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 616' ' ' VAL . . . . . 0.499 ' O ' ' SG ' ' B' ' 620' ' ' CYS . 1.4 p -78.52 -16.32 13.71 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.57 0 O-C-N 121.354 -0.841 . . . . 0.0 109.16 -179.105 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 617' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -77.02 -39.21 51.02 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.308 -0.87 . . . . 0.0 110.462 -179.446 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 618' ' ' GLY . . . . . . . . . . . . . . . -69.78 -49.59 35.11 Favored Glycine 0 N--CA 1.489 2.206 0 N-CA-C 109.785 -1.326 . . . . 0.0 109.785 -179.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 619' ' ' LEU . . . . . 0.443 ' CD1' ' C ' ' B' ' 619' ' ' LEU . 3.5 pp -60.63 -21.28 62.55 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.087 -1.243 . . . . 0.0 109.278 -179.785 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 620' ' ' CYS . . . . . 0.499 ' SG ' ' O ' ' B' ' 616' ' ' VAL . 32.9 m -69.19 -40.75 77.86 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.862 -1.149 . . . . 0.0 109.524 179.207 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 84.1 p -81.88 -2.5 51.38 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 120.839 -1.163 . . . . 0.0 109.637 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 622' ' ' GLU . . . . . 0.529 ' CD ' ' HZ1' ' B' ' 647' ' ' LYS . 53.1 mt-10 -98.25 -47.66 5.37 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.063 -1.023 . . . . 0.0 108.683 177.043 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 623' ' ' LEU . . . . . . . . . . . . . 8.2 mp -74.81 -25.97 59.4 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.792 -1.192 . . . . 0.0 109.815 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 624' ' ' MET . . . . . 0.487 ' SD ' ' O ' ' B' ' 620' ' ' CYS . 58.5 mtp -73.66 -31.35 63.44 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.938 -1.101 . . . . 0.0 111.775 -178.114 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 625' ' ' ALA . . . . . . . . . . . . . . . -98.37 -15.8 19.56 Favored 'General case' 0 N--CA 1.504 2.244 0 O-C-N 120.726 -1.234 . . . . 0.0 108.752 179.056 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 626' ' ' LYS . . . . . . . . . . . . . 54.5 mmtt -80.89 -10.9 59.67 Favored 'General case' 0 C--N 1.299 -1.587 0 N-CA-C 104.902 -2.258 . . . . 0.0 104.902 175.158 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 627' ' ' ALA . . . . . . . . . . . . . . . -49.99 104.38 0.07 Allowed 'General case' 0 N--CA 1.489 1.488 0 CA-C-N 114.666 -1.152 . . . . 0.0 111.379 -179.606 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 628' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -80.13 89.92 5.44 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 106.706 -1.59 . . . . 0.0 106.706 177.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 629' ' ' CYS . . . . . . . . . . . . . 63.7 m -55.56 139.3 44.6 Favored 'General case' 0 N--CA 1.493 1.69 0 CA-C-O 122.399 1.095 . . . . 0.0 112.188 -177.314 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 630' ' ' SER . . . . . . . . . . . . . 5.3 t -141.9 162.22 36.02 Favored 'General case' 0 N--CA 1.494 1.753 0 N-CA-C 107.369 -1.345 . . . . 0.0 107.369 178.294 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 631' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -68.09 -28.7 67.57 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.463 -1.398 . . . . 0.0 110.374 -178.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 21.3 mmt180 -76.28 -16.74 59.72 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.753 -1.217 . . . . 0.0 108.622 179.483 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 633' ' ' GLY . . . . . . . . . . . . . . . 140.79 -178.41 20.1 Favored Glycine 0 N--CA 1.496 2.654 0 N-CA-C 108.466 -1.853 . . . . 0.0 108.466 -179.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 634' ' ' VAL . . . . . . . . . . . . . 32.1 m -78.59 157.8 4.88 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.335 0 O-C-N 120.516 -1.579 . . . . 0.0 110.155 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 1.7 m -148.26 139.03 17.26 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 178.081 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 636' ' ' ILE . . . . . . . . . . . . . 61.2 mt -129.0 144.67 37.46 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.993 0 O-C-N 121.526 -0.734 . . . . 0.0 109.503 -179.286 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 637' ' ' ASN . . . . . 0.515 ' ND2' ' O ' ' B' ' 593' ' ' GLY . 12.3 t-20 -84.01 135.78 34.3 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.298 -0.876 . . . . 0.0 108.842 179.417 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -49.34 -10.77 0.04 OUTLIER 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.363 -0.836 . . . . 0.0 109.962 -179.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 639' ' ' GLU . . . . . 0.502 ' H ' ' C ' ' B' ' 637' ' ' ASN . 6.1 tm-20 -83.15 -26.66 30.72 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.123 -0.986 . . . . 0.0 111.383 -178.656 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 640' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -78.11 -47.99 16.99 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 119.853 -1.779 . . . . 0.0 107.794 178.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 641' ' ' VAL . . . . . 0.418 ' O ' ' N ' ' B' ' 644' ' ' ALA . 4.7 p -57.9 -51.36 71.52 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.623 0 O-C-N 121.256 -0.902 . . . . 0.0 108.659 177.387 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 642' ' ' GLN . . . . . 0.453 ' O ' ' ND2' ' B' ' 646' ' ' ASN . 26.3 mt-30 -48.1 -33.72 8.64 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 120.803 -1.185 . . . . 0.0 109.277 179.734 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 643' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -79.3 -24.73 42.65 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.273 -0.892 . . . . 0.0 109.373 178.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 644' ' ' ALA . . . . . 0.418 ' N ' ' O ' ' B' ' 641' ' ' VAL . . . -86.2 -35.44 20.06 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 120.557 -1.339 . . . . 0.0 109.777 178.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 645' ' ' LEU . . . . . . . . . . . . . 81.3 mt -76.09 -23.68 54.99 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.763 -1.211 . . . . 0.0 109.122 179.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 646' ' ' ASN . . . . . 0.652 ' N ' HD21 ' B' ' 646' ' ' ASN . 0.8 OUTLIER -93.53 -12.06 30.48 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.359 -0.838 . . . . 0.0 110.033 -179.856 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 647' ' ' LYS . . . . . 0.529 ' HZ1' ' CD ' ' B' ' 622' ' ' GLU . 37.9 ttpt -67.7 -80.06 0.05 OUTLIER 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.994 -1.066 . . . . 0.0 110.538 -179.209 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 648' ' ' HIS . . . . . 0.609 ' CD2' ' H ' ' B' ' 648' ' ' HIS . 0.1 OUTLIER -74.69 35.71 0.1 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.22 -0.925 . . . . 0.0 110.004 -178.696 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 649' ' ' MET . . . . . 0.476 ' H ' ' C ' ' B' ' 647' ' ' LYS . 0.8 OUTLIER -93.0 135.69 33.93 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.964 -1.085 . . . . 0.0 109.512 -179.946 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 650' ' ' ASN . . . . . . . . . . . . . 48.4 t30 . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 117.98 -1.01 . . . . 0.0 109.505 179.983 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 279' ' ' ASN . . . . . . . . . . . . . 8.1 p30 . . . . . 0 N--CA 1.49 1.554 0 CA-C-O 121.317 0.579 . . . . 0.0 109.485 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 280' ' ' LEU . . . . . 0.504 ' CD1' ' N ' ' A' ' 280' ' ' LEU . 8.4 mp -64.37 -75.29 0.09 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.18 -0.95 . . . . 0.0 109.264 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 281' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -70.05 -141.11 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.242 -0.911 . . . . 0.0 109.394 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 282' ' ' SER . . . . . . . . . . . . . 13.2 t 52.49 77.27 0.16 Allowed 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.23 -0.919 . . . . 0.0 109.507 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 283' ' ' ASN . . . . . 0.46 ' CG ' ' H ' ' A' ' 284' ' ' MET . 19.0 t-20 -71.01 -179.83 2.45 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.205 -0.934 . . . . 0.0 109.497 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 284' ' ' MET . . . . . 0.46 ' H ' ' CG ' ' A' ' 283' ' ' ASN . 51.4 mtm 52.77 80.37 0.1 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.247 -0.908 . . . . 0.0 109.52 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 285' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -71.7 166.11 22.61 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.28 -0.888 . . . . 0.0 109.411 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 286' ' ' SER . . . . . . . . . . . . . 9.0 m -53.36 -179.38 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.14 -0.975 . . . . 0.0 109.413 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 287' ' ' ASN . . . . . 0.451 ' N ' HD21 ' A' ' 287' ' ' ASN . 2.2 m120 -73.75 92.55 2.02 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.266 -0.896 . . . . 0.0 109.402 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 288' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -78.62 74.4 5.15 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.212 -0.93 . . . . 0.0 109.477 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 289' ' ' PHE . . . . . 0.522 ' CE1' ' OD1' ' A' ' 290' ' ' ASN . 46.1 p90 -77.09 -28.17 54.43 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.271 -0.893 . . . . 0.0 109.489 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 290' ' ' ASN . . . . . 0.522 ' OD1' ' CE1' ' A' ' 289' ' ' PHE . 9.0 m120 -63.17 -145.48 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.273 -0.892 . . . . 0.0 109.486 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 291' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -160.39 -60.92 0.06 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.296 -0.877 . . . . 0.0 109.462 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 292' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -60.56 -67.06 0.43 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.32 -0.863 . . . . 0.0 109.439 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 293' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -70.94 176.69 4.14 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.217 -0.927 . . . . 0.0 109.474 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 294' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -149.76 131.19 14.74 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.26 -0.9 . . . . 0.0 109.401 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 295' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -60.62 179.61 0.16 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.451 -0.78 . . . . 0.0 109.444 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . 26.3 p30 -173.84 36.37 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.45 -0.781 . . . . 0.0 109.333 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 297' ' ' GLU . . . . . . . . . . . . . 22.2 tp10 50.92 67.97 0.85 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.251 -0.906 . . . . 0.0 109.594 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 298' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -171.3 -6.55 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.324 -0.86 . . . . 0.0 109.226 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 299' ' ' VAL . . . . . 0.592 ' C ' ' H ' ' A' ' 301' ' ' GLU . 7.2 p -103.46 77.95 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.752 0 CA-C-O 122.462 1.125 . . . . 0.0 109.391 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 300' ' ' SER . . . . . 0.519 ' C ' ' N ' ' A' ' 302' ' ' PHE . 10.3 m -72.97 32.83 0.07 Allowed 'General case' 0 C--N 1.292 -1.911 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 178.275 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 301' ' ' GLU . . . . . 0.592 ' H ' ' C ' ' A' ' 299' ' ' VAL . 32.3 tt0 -44.42 -24.78 0.2 Allowed 'General case' 0 N--CA 1.494 1.775 0 N-CA-C 107.055 -1.461 . . . . 0.0 107.055 178.002 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 302' ' ' PHE . . . . . 0.519 ' N ' ' C ' ' A' ' 300' ' ' SER . 86.4 t80 -70.77 -65.32 0.75 Allowed 'General case' 0 C--N 1.299 -1.616 0 CA-C-N 114.233 -1.349 . . . . 0.0 109.818 179.402 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 303' ' ' CYS . . . . . 0.426 ' O ' ' N ' ' A' ' 306' ' ' MET . 5.2 t -66.65 -51.34 57.28 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.241 -0.912 . . . . 0.0 109.483 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 19.5 m -48.83 -25.02 1.65 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.388 -0.82 . . . . 0.0 110.163 -179.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 305' ' ' LYS . . . . . 0.443 ' CG ' ' O ' ' A' ' 301' ' ' GLU . 4.7 mmmm -101.14 -13.61 18.09 Favored 'General case' 0 N--CA 1.5 2.074 0 N-CA-C 108.18 -1.044 . . . . 0.0 108.18 177.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 306' ' ' MET . . . . . 0.426 ' N ' ' O ' ' A' ' 303' ' ' CYS . 9.3 ttt -74.25 -25.44 59.63 Favored 'General case' 0 C--N 1.301 -1.509 0 N-CA-C 107.702 -1.221 . . . . 0.0 107.702 177.374 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 307' ' ' ASN . . . . . 0.427 ' O ' ' C ' ' A' ' 308' ' ' GLN . 1.4 t30 -86.72 -40.0 15.47 Favored 'General case' 0 N--CA 1.493 1.696 0 N-CA-C 106.349 -1.723 . . . . 0.0 106.349 178.395 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 308' ' ' GLN . . . . . 0.529 ' O ' ' N ' ' A' ' 310' ' ' CYS . 32.8 tt0 -36.13 -42.73 0.31 Allowed 'General case' 0 N--CA 1.501 2.102 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.057 178.852 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 309' ' ' VAL . . . . . . . . . . . . . 11.8 t -45.29 -16.74 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.499 2.011 0 CA-C-O 121.908 0.861 . . . . 0.0 109.513 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 310' ' ' CYS . . . . . 0.529 ' N ' ' O ' ' A' ' 308' ' ' GLN . 0.5 OUTLIER -88.71 14.89 9.13 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.697 -0.627 . . . . 0.0 109.498 179.476 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 311' ' ' GLY . . . . . 0.518 ' N ' ' O ' ' A' ' 308' ' ' GLN . . . -77.35 116.63 4.58 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.359 -1.497 . . . . 0.0 109.359 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 312' ' ' THR . . . . . . . . . . . . . 28.3 m -80.01 137.38 36.8 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.197 -1.178 . . . . 0.0 109.492 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 313' ' ' ARG . . . . . . . . . . . . . 37.3 ttm180 . . . . . 0 N--CA 1.49 1.53 0 CA-C-O 118.035 -0.984 . . . . 0.0 109.491 -179.98 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 565' ' ' ASN . . . . . 0.615 HD21 ' H2 ' ' B' ' 565' ' ' ASN . 0.9 OUTLIER . . . . . 0 N--CA 1.489 1.507 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 566' ' ' GLY . . . . . . . . . . . . . . . -63.93 136.29 40.86 Favored Glycine 0 N--CA 1.491 2.316 0 N-CA-C 109.494 -1.442 . . . . 0.0 109.494 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 567' ' ' SER . . . . . . . . . . . . . 90.3 p -64.62 -61.31 2.28 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.271 -1.135 . . . . 0.0 109.445 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 568' ' ' SER . . . . . . . . . . . . . 70.1 m -166.58 55.25 0.09 Allowed 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.264 -0.897 . . . . 0.0 109.46 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 569' ' ' LEU . . . . . 0.529 ' CD2' ' N ' ' B' ' 569' ' ' LEU . 3.5 mm? -70.74 98.46 1.54 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.215 -0.928 . . . . 0.0 109.119 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 570' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 52.11 22.69 1.98 Allowed 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.232 -0.917 . . . . 0.0 109.316 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 571' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -62.84 140.08 58.76 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.216 -0.928 . . . . 0.0 109.269 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -169.8 -179.95 3.47 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.222 -0.924 . . . . 0.0 109.438 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 573' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -168.58 36.23 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.301 -0.874 . . . . 0.0 109.6 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 574' ' ' LYS . . . . . . . . . . . . . 15.5 tptm -167.64 159.56 12.09 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.326 -0.859 . . . . 0.0 109.249 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 575' ' ' ILE . . . . . 0.505 ' O ' ' ND2' ' B' ' 577' ' ' ASN . 4.7 tp -160.57 137.08 1.97 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.154 -0.966 . . . . 0.0 109.282 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 576' ' ' ASN . . . . . . . . . . . . . 4.1 m120 50.29 67.99 0.83 Allowed 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.256 -0.902 . . . . 0.0 109.543 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 577' ' ' ASN . . . . . 0.505 ' ND2' ' O ' ' B' ' 575' ' ' ILE . 68.4 m-80 -159.85 95.25 1.17 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.288 -0.883 . . . . 0.0 109.48 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 578' ' ' GLY . . . . . . . . . . . . . . . -167.29 4.35 0.05 OUTLIER Glycine 0 N--CA 1.489 2.227 0 N-CA-C 109.566 -1.414 . . . . 0.0 109.566 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 579' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -157.62 122.91 4.51 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.417 -1.049 . . . . 0.0 109.366 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 580' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -168.5 -39.29 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.182 -0.949 . . . . 0.0 109.5 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 581' ' ' ASN . . . . . 0.488 ' C ' ' H ' ' B' ' 583' ' ' ASN . 12.3 m120 -157.51 129.5 7.1 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.207 -0.933 . . . . 0.0 109.47 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 582' ' ' ASP . . . . . . . . . . . . . 46.2 m-20 -76.1 25.62 0.12 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.354 -0.841 . . . . 0.0 109.513 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 583' ' ' ASN . . . . . 0.488 ' H ' ' C ' ' B' ' 581' ' ' ASN . 17.4 p-10 -169.55 116.2 0.58 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.279 -0.888 . . . . 0.0 109.499 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 584' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -63.55 -67.73 0.4 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.29 -0.882 . . . . 0.0 109.474 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 585' ' ' ASN . . . . . . . . . . . . . 34.5 p-10 -170.18 35.77 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.245 -0.909 . . . . 0.0 109.465 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 586' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -68.06 150.76 48.02 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.279 -0.888 . . . . 0.0 109.455 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 587' ' ' VAL . . . . . . . . . . . . . 1.5 p -176.5 146.98 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.327 0 O-C-N 121.306 -0.871 . . . . 0.0 108.849 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 588' ' ' VAL . . . . . . . . . . . . . 90.1 t 43.97 73.83 0.89 Allowed Pre-proline 0 N--CA 1.497 1.893 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 -179.676 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 589' ' ' PRO . . . . . 0.429 ' O ' ' OG ' ' B' ' 590' ' ' SER . 4.4 Cg_exo -63.42 -179.58 0.68 Allowed 'Trans proline' 0 C--N 1.317 -1.091 0 C-N-CA 121.367 1.378 . . . . 0.0 109.759 -179.489 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 590' ' ' SER . . . . . 0.429 ' OG ' ' O ' ' B' ' 589' ' ' PRO . 4.2 p 63.24 -154.23 0.33 Allowed 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.329 -0.857 . . . . 0.0 109.372 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 591' ' ' LYS . . . . . 0.525 ' C ' ' H ' ' B' ' 593' ' ' GLY . 13.9 mmmt -48.67 174.75 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.204 -0.935 . . . . 0.0 109.204 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -75.55 16.25 0.39 Allowed 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.164 -0.96 . . . . 0.0 108.854 179.406 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 593' ' ' GLY . . . . . 0.525 ' H ' ' C ' ' B' ' 591' ' ' LYS . . . 154.47 -148.2 18.4 Favored Glycine 0 N--CA 1.486 1.998 0 N-CA-C 109.023 -1.631 . . . . 0.0 109.023 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 594' ' ' SER . . . . . . . . . . . . . 65.8 m -124.8 166.25 16.56 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.686 -0.89 . . . . 0.0 110.057 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 595' ' ' LEU . . . . . 0.529 ' CD2' ' N ' ' B' ' 595' ' ' LEU . 3.8 mm? -94.07 124.91 38.38 Favored 'General case' 0 C--N 1.3 -1.57 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 179.364 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 596' ' ' LEU . . . . . . . . . . . . . 1.3 mp -128.54 153.7 46.92 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.34 -0.85 . . . . 0.0 109.573 -179.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 597' ' ' ARG . . . . . . . . . . . . . 40.3 mtp180 -102.59 -146.9 0.37 Allowed 'General case' 0 N--CA 1.501 2.113 0 CA-C-O 121.802 0.811 . . . . 0.0 111.521 -178.014 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 598' ' ' CYS . . . . . 0.615 ' SG ' ' N ' ' B' ' 599' ' ' SER . 14.8 t -69.64 -104.44 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.858 -0.526 . . . . 0.0 111.6 -177.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 599' ' ' SER . . . . . 0.615 ' N ' ' SG ' ' B' ' 598' ' ' CYS . 41.7 m -45.0 -18.0 0.02 OUTLIER 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.129 -0.982 . . . . 0.0 109.487 -178.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 600' ' ' GLU . . . . . 0.524 ' N ' ' O ' ' B' ' 598' ' ' CYS . 8.6 tp10 -46.41 -40.46 12.19 Favored 'General case' 0 C--N 1.3 -1.578 0 CA-C-O 122.341 1.067 . . . . 0.0 109.015 179.389 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 601' ' ' ILE . . . . . 0.576 ' O ' ' N ' ' B' ' 604' ' ' ARG . 1.2 mp -68.13 -35.11 70.25 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.163 0 N-CA-C 107.517 -1.29 . . . . 0.0 107.517 -178.601 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 602' ' ' TRP . . . . . 0.445 ' N ' ' O ' ' B' ' 599' ' ' SER . 46.8 t-105 -43.18 -38.05 2.34 Favored 'General case' 0 N--CA 1.494 1.729 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 179.75 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 603' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -68.88 -42.77 76.54 Favored 'General case' 0 C--N 1.304 -1.374 0 N-CA-C 107.921 -1.141 . . . . 0.0 107.921 177.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 604' ' ' ARG . . . . . 0.576 ' N ' ' O ' ' B' ' 601' ' ' ILE . 15.6 mmt180 -56.38 -42.71 78.33 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.371 -0.831 . . . . 0.0 109.293 178.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 605' ' ' ILE . . . . . . . . . . . . . 17.3 mm -57.86 -48.97 82.57 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.998 0 O-C-N 121.504 -0.747 . . . . 0.0 110.312 179.283 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 606' ' ' THR . . . . . 0.577 ' HG1' ' N ' ' B' ' 607' ' ' THR . 67.1 p -59.76 -53.58 56.27 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.911 -1.118 . . . . 0.0 110.087 -178.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 607' ' ' THR . . . . . 0.577 ' N ' ' HG1' ' B' ' 606' ' ' THR . 73.3 p -57.6 -48.81 78.37 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.018 -1.051 . . . . 0.0 110.285 -179.381 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 608' ' ' HIS . . . . . 0.408 ' CG ' ' O ' ' B' ' 604' ' ' ARG . 4.6 m-70 -43.07 106.31 0.48 Allowed Pre-proline 0 N--CA 1.495 1.779 0 O-C-N 121.389 -0.819 . . . . 0.0 110.304 -179.753 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 609' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -68.21 -28.84 33.54 Favored 'Trans proline' 0 CA--C 1.536 0.612 0 N-CA-C 109.496 -1.002 . . . . 0.0 109.496 179.636 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 610' ' ' LYS . . . . . . . . . . . . . 12.5 tptm -69.2 -8.06 42.24 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.032 -1.042 . . . . 0.0 108.928 179.581 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 611' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -48.88 125.34 10.14 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.431 -0.793 . . . . 0.0 109.237 179.658 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 612' ' ' SER . . . . . . . . . . . . . 12.2 t -172.2 -88.04 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.288 -0.882 . . . . 0.0 108.779 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 613' ' ' ASP . . . . . 0.459 ' O ' ' O ' ' B' ' 614' ' ' ILE . 2.2 m-20 -83.09 -83.88 0.13 Allowed 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.381 -0.824 . . . . 0.0 109.225 179.385 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 614' ' ' ILE . . . . . 0.459 ' O ' ' O ' ' B' ' 613' ' ' ASP . 82.2 mt 53.2 166.18 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.762 0 O-C-N 121.504 -0.747 . . . . 0.0 110.831 178.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 615' ' ' ASP . . . . . 0.444 ' N ' ' CG2' ' B' ' 614' ' ' ILE . 1.2 m-20 -121.93 116.9 25.19 Favored 'General case' 0 N--CA 1.493 1.679 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 179.437 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 616' ' ' VAL . . . . . . . . . . . . . 41.6 t -80.05 -16.43 12.89 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.55 0 O-C-N 121.323 -0.861 . . . . 0.0 109.24 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 617' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -75.87 -43.65 44.52 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.247 -0.908 . . . . 0.0 110.449 -178.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 618' ' ' GLY . . . . . . . . . . . . . . . -67.19 -42.51 91.09 Favored Glycine 0 N--CA 1.491 2.349 0 N-CA-C 109.571 -1.411 . . . . 0.0 109.571 -179.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 619' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.4 -26.02 68.55 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.229 -1.159 . . . . 0.0 108.107 179.578 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 620' ' ' CYS . . . . . 0.486 ' O ' ' CG ' ' B' ' 624' ' ' MET . 14.3 t -67.78 -54.45 19.1 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.313 -0.867 . . . . 0.0 110.533 -179.704 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 37.5 t -76.61 -0.51 23.6 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 120.666 -1.271 . . . . 0.0 109.354 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 622' ' ' GLU . . . . . . . . . . . . . 53.8 tt0 -100.18 -43.77 6.19 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.235 -0.916 . . . . 0.0 109.069 177.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 623' ' ' LEU . . . . . . . . . . . . . 3.9 mp -86.15 -30.14 22.71 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 120.739 -1.225 . . . . 0.0 109.953 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 624' ' ' MET . . . . . 0.486 ' CG ' ' O ' ' B' ' 620' ' ' CYS . 30.8 mmm -59.09 -31.94 69.35 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 121.033 -1.042 . . . . 0.0 111.967 -178.279 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 625' ' ' ALA . . . . . . . . . . . . . . . -103.62 -3.8 24.68 Favored 'General case' 0 N--CA 1.507 2.406 0 O-C-N 120.645 -1.284 . . . . 0.0 110.28 -179.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 626' ' ' LYS . . . . . . . . . . . . . 34.3 mmtm -88.19 -12.23 44.48 Favored 'General case' 0 N--CA 1.492 1.65 0 N-CA-C 106.756 -1.572 . . . . 0.0 106.756 176.51 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 627' ' ' ALA . . . . . . . . . . . . . . . -45.32 138.24 4.22 Favored 'General case' 0 N--CA 1.492 1.669 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.843 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 628' ' ' LYS . . . . . . . . . . . . . 51.0 mttp -117.52 93.42 4.16 Favored 'General case' 0 N--CA 1.499 1.977 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 178.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 629' ' ' CYS . . . . . . . . . . . . . 14.4 m -54.78 119.48 5.41 Favored 'General case' 0 N--CA 1.494 1.739 0 CA-C-O 122.401 1.096 . . . . 0.0 111.532 -178.152 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 630' ' ' SER . . . . . 0.407 ' HG ' ' N ' ' B' ' 631' ' ' GLU . 44.6 t -142.58 160.15 40.86 Favored 'General case' 0 N--CA 1.494 1.751 0 N-CA-C 107.461 -1.311 . . . . 0.0 107.461 178.363 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 631' ' ' GLU . . . . . 0.554 ' C ' ' H ' ' B' ' 633' ' ' GLY . 8.6 pt-20 -64.3 -23.29 67.25 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.27 -1.519 . . . . 0.0 108.797 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 17.8 mmt180 -79.44 34.5 0.26 Allowed 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 107.391 -1.337 . . . . 0.0 107.391 177.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 633' ' ' GLY . . . . . 0.554 ' H ' ' C ' ' B' ' 631' ' ' GLU . . . 70.48 -169.7 46.86 Favored Glycine 0 N--CA 1.491 2.361 0 N-CA-C 107.633 -2.187 . . . . 0.0 107.633 -178.327 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 634' ' ' VAL . . . . . . . . . . . . . 9.2 p -78.48 141.98 14.72 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.408 0 O-C-N 120.399 -1.648 . . . . 0.0 109.293 179.495 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 31.3 m -133.36 138.3 51.47 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.155 0 O-C-N 121.242 -0.911 . . . . 0.0 108.934 178.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 636' ' ' ILE . . . . . . . . . . . . . 62.7 mt -129.91 153.8 39.4 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.924 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 -179.198 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 637' ' ' ASN . . . . . 0.668 HD21 ' N ' ' B' ' 637' ' ' ASN . 0.7 OUTLIER -90.71 138.0 31.92 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.154 -0.966 . . . . 0.0 110.008 -179.678 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -53.57 -11.04 0.31 Allowed 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.69 -0.631 . . . . 0.0 111.092 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 639' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -78.16 -19.37 54.11 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.809 -1.182 . . . . 0.0 110.612 -179.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 640' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -86.48 -59.58 2.24 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 120.231 -1.543 . . . . 0.0 108.421 177.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 641' ' ' VAL . . . . . . . . . . . . . 1.9 p -51.01 -35.0 14.44 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 121.021 -1.049 . . . . 0.0 109.262 178.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 642' ' ' GLN . . . . . . . . . . . . . 40.0 tp60 -70.08 -35.01 73.89 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.216 -0.928 . . . . 0.0 109.011 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 643' ' ' LEU . . . . . . . . . . . . . 97.2 mt -83.72 -18.49 37.72 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.042 -1.036 . . . . 0.0 108.553 178.158 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 644' ' ' ALA . . . . . 0.422 ' O ' ' CD2' ' B' ' 648' ' ' HIS . . . -88.38 -34.47 17.57 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.989 -1.069 . . . . 0.0 109.202 178.511 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 645' ' ' LEU . . . . . . . . . . . . . 69.5 mt -87.3 -25.72 23.78 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.058 -1.026 . . . . 0.0 110.009 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 646' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -88.03 -12.96 42.82 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 120.912 -1.118 . . . . 0.0 109.754 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 647' ' ' LYS . . . . . . . . . . . . . 49.7 mtpt -96.16 -4.5 42.52 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.044 -1.035 . . . . 0.0 108.834 179.114 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 648' ' ' HIS . . . . . 0.422 ' CD2' ' O ' ' B' ' 644' ' ' ALA . 4.3 m-70 -113.25 12.29 18.9 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.631 -0.668 . . . . 0.0 109.416 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 649' ' ' MET . . . . . . . . . . . . . 50.6 tpp -95.48 128.87 42.69 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.285 -0.885 . . . . 0.0 109.497 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 650' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 . . . . . 0 N--CA 1.489 1.512 0 CA-C-O 118.032 -0.985 . . . . 0.0 109.411 180.0 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 279' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.49 1.57 0 CA-C-O 121.314 0.578 . . . . 0.0 109.533 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 280' ' ' LEU . . . . . 0.422 ' O ' ' OD1' ' A' ' 281' ' ' ASP . 1.0 OUTLIER -59.24 -37.41 77.48 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.171 -0.956 . . . . 0.0 109.037 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 281' ' ' ASP . . . . . 0.422 ' OD1' ' O ' ' A' ' 280' ' ' LEU . 44.1 m-20 -151.96 -151.88 0.4 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.187 -0.946 . . . . 0.0 109.366 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 282' ' ' SER . . . . . . . . . . . . . 50.0 m -55.52 122.22 10.78 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.285 -0.885 . . . . 0.0 109.461 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 283' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -164.85 16.34 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.274 -0.891 . . . . 0.0 109.477 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 284' ' ' MET . . . . . . . . . . . . . 25.5 mmt -75.62 58.45 1.06 Allowed 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.245 -0.909 . . . . 0.0 109.466 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 285' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -168.62 110.62 0.54 Allowed 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.167 -0.958 . . . . 0.0 109.513 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 286' ' ' SER . . . . . . . . . . . . . 31.0 t -67.87 -89.2 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.267 -0.896 . . . . 0.0 109.508 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 287' ' ' ASN . . . . . 0.514 ' ND2' ' N ' ' A' ' 288' ' ' ASP . 0.7 OUTLIER -170.78 -30.86 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.219 -0.926 . . . . 0.0 109.569 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 288' ' ' ASP . . . . . 0.514 ' N ' ' ND2' ' A' ' 287' ' ' ASN . 3.0 p30 -60.84 -152.43 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.29 -0.881 . . . . 0.0 109.482 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 289' ' ' PHE . . . . . 0.522 ' O ' ' N ' ' A' ' 291' ' ' PHE . 51.9 m-85 -156.98 -7.02 0.1 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.215 -0.928 . . . . 0.0 109.36 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 290' ' ' ASN . . . . . . . . . . . . . 29.5 t-20 51.78 -89.81 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.262 -0.899 . . . . 0.0 109.546 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 291' ' ' PHE . . . . . 0.522 ' N ' ' O ' ' A' ' 289' ' ' PHE . 58.7 t80 -160.37 -62.02 0.06 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.202 -0.936 . . . . 0.0 109.407 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 292' ' ' GLU . . . . . . . . . . . . . 69.5 tt0 -170.46 -45.81 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.348 -0.845 . . . . 0.0 109.242 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 293' ' ' ASN . . . . . 0.524 ' O ' ' N ' ' A' ' 295' ' ' PHE . 1.9 p-10 -70.72 -159.27 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.27 -0.894 . . . . 0.0 109.557 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 294' ' ' GLN . . . . . 0.439 ' O ' ' O ' ' A' ' 295' ' ' PHE . 49.7 tp60 50.0 -89.8 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.332 -0.855 . . . . 0.0 109.444 -179.639 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 295' ' ' PHE . . . . . 0.524 ' N ' ' O ' ' A' ' 293' ' ' ASN . 15.5 t80 60.36 153.24 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.625 0 O-C-N 120.825 -1.172 . . . . 0.0 109.123 -179.614 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 50.3 79.59 0.08 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.202 -0.936 . . . . 0.0 109.277 -179.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 297' ' ' GLU . . . . . . . . . . . . . 58.8 mt-10 -73.95 136.31 43.26 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.256 -0.903 . . . . 0.0 109.764 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 298' ' ' GLN . . . . . 0.458 ' O ' ' C ' ' A' ' 299' ' ' VAL . 13.2 pt20 -164.21 -49.18 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.263 -0.898 . . . . 0.0 109.479 179.641 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 299' ' ' VAL . . . . . 0.553 ' C ' ' H ' ' A' ' 301' ' ' GLU . 4.1 m 31.34 82.83 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.505 2.279 0 CA-C-O 121.881 0.848 . . . . 0.0 111.417 179.672 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 300' ' ' SER . . . . . 0.552 ' C ' ' N ' ' A' ' 302' ' ' PHE . 15.7 m -73.54 26.57 0.07 Allowed 'General case' 0 C--N 1.296 -1.732 0 C-N-CA 119.609 -0.836 . . . . 0.0 108.951 178.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 301' ' ' GLU . . . . . 0.553 ' H ' ' C ' ' A' ' 299' ' ' VAL . 23.4 tp10 -46.35 -20.23 0.1 Allowed 'General case' 0 N--CA 1.493 1.709 0 N-CA-C 106.912 -1.514 . . . . 0.0 106.912 177.799 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 302' ' ' PHE . . . . . 0.552 ' N ' ' C ' ' A' ' 300' ' ' SER . 14.2 t80 -72.46 -57.33 4.26 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-N 114.677 -1.147 . . . . 0.0 109.711 178.841 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 303' ' ' CYS . . . . . 0.429 ' O ' ' OD1' ' A' ' 307' ' ' ASN . 23.5 m -74.84 -26.6 59.82 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.922 -1.111 . . . . 0.0 109.584 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 4.7 m -60.51 -37.34 80.8 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.361 -0.837 . . . . 0.0 111.233 -178.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . 34.4 mtmt -95.13 -19.01 20.46 Favored 'General case' 0 N--CA 1.506 2.347 0 O-C-N 120.841 -1.162 . . . . 0.0 108.617 178.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 306' ' ' MET . . . . . . . . . . . . . 10.2 ttm -71.7 -22.76 61.6 Favored 'General case' 0 C--N 1.296 -1.743 0 N-CA-C 107.008 -1.478 . . . . 0.0 107.008 177.126 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 307' ' ' ASN . . . . . 0.457 ' O ' ' N ' ' A' ' 310' ' ' CYS . 5.9 m-20 -79.71 -39.58 30.86 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 106.03 -1.841 . . . . 0.0 106.03 178.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 308' ' ' GLN . . . . . 0.547 ' C ' ' H ' ' A' ' 310' ' ' CYS . 19.2 tt0 -37.4 -39.39 0.29 Allowed 'General case' 0 N--CA 1.506 2.337 0 CA-C-O 121.647 0.736 . . . . 0.0 109.022 178.071 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 309' ' ' VAL . . . . . . . . . . . . . 21.9 t -46.47 -13.4 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.5 2.027 0 C-N-CA 120.184 -0.607 . . . . 0.0 109.366 179.039 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 310' ' ' CYS . . . . . 0.547 ' H ' ' C ' ' A' ' 308' ' ' GLN . 5.4 t -84.71 -62.16 1.61 Allowed 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.524 -0.735 . . . . 0.0 109.618 179.215 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 311' ' ' GLY . . . . . . . . . . . . . . . -108.17 133.32 11.59 Favored Glycine 0 N--CA 1.498 2.8 0 N-CA-C 109.607 -1.397 . . . . 0.0 109.607 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 312' ' ' THR . . . . . . . . . . . . . 56.0 m -80.78 89.72 5.81 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.299 -1.118 . . . . 0.0 109.295 179.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 313' ' ' ARG . . . . . . . . . . . . . 1.8 ttt-85 . . . . . 0 N--CA 1.49 1.53 0 CA-C-O 117.904 -1.046 . . . . 0.0 109.499 -179.855 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 565' ' ' ASN . . . . . . . . . . . . . 17.1 m120 . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 566' ' ' GLY . . . . . . . . . . . . . . . 179.34 69.83 0.07 OUTLIER Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.543 -1.423 . . . . 0.0 109.543 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 567' ' ' SER . . . . . . . . . . . . . 88.1 p -70.56 54.9 0.16 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.315 -1.109 . . . . 0.0 109.491 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 568' ' ' SER . . . . . . . . . . . . . 75.0 m -66.14 -92.66 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.249 -0.907 . . . . 0.0 109.424 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 569' ' ' LEU . . . . . . . . . . . . . 14.4 mt -71.57 110.56 6.22 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.258 -0.901 . . . . 0.0 109.449 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 570' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -68.18 -85.59 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.273 -0.892 . . . . 0.0 109.45 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 571' ' ' ASN . . . . . . . . . . . . . 68.0 m-20 52.3 46.65 26.26 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.302 -0.874 . . . . 0.0 109.469 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -171.26 -56.02 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.25 -0.906 . . . . 0.0 109.449 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 573' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 53.09 -162.55 0.1 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.163 -0.961 . . . . 0.0 109.474 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 574' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -70.44 -36.64 74.07 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.33 -0.857 . . . . 0.0 109.389 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 575' ' ' ILE . . . . . . . . . . . . . 16.1 tt -171.77 161.06 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.335 -0.853 . . . . 0.0 109.487 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 576' ' ' ASN . . . . . . . . . . . . . 18.0 p30 -158.4 -158.19 0.69 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.295 -0.878 . . . . 0.0 109.344 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 577' ' ' ASN . . . . . 0.481 ' C ' ' H ' ' B' ' 579' ' ' ASN . 29.5 t-20 -162.64 142.36 9.33 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.168 -0.958 . . . . 0.0 109.553 179.765 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 578' ' ' GLY . . . . . . . . . . . . . . . -74.17 37.28 0.94 Allowed Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.443 -1.463 . . . . 0.0 109.443 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 579' ' ' ASN . . . . . 0.481 ' H ' ' C ' ' B' ' 577' ' ' ASN . 44.9 t30 -64.99 -77.54 0.06 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.23 -1.159 . . . . 0.0 109.557 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 580' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -74.44 49.18 0.37 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.205 -0.934 . . . . 0.0 109.525 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 581' ' ' ASN . . . . . . . . . . . . . 6.2 m120 52.83 16.03 0.63 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.296 -0.877 . . . . 0.0 109.507 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 582' ' ' ASP . . . . . 0.515 ' CG ' ' H ' ' B' ' 583' ' ' ASN . 47.3 t0 54.04 -133.54 1.74 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.298 -0.876 . . . . 0.0 109.494 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 583' ' ' ASN . . . . . 0.515 ' H ' ' CG ' ' B' ' 582' ' ' ASP . 31.2 m120 -69.31 -84.75 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.326 -0.858 . . . . 0.0 109.323 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 584' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -157.21 146.83 20.43 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.275 -0.89 . . . . 0.0 109.42 179.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 585' ' ' ASN . . . . . 0.636 ' N ' HD21 ' B' ' 585' ' ' ASN . 1.0 OUTLIER -77.21 80.08 3.73 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.29 -0.881 . . . . 0.0 109.588 -179.88 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 586' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 52.65 -153.48 0.23 Allowed 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.256 -0.902 . . . . 0.0 109.34 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 587' ' ' VAL . . . . . 0.451 ' CG2' ' N ' ' B' ' 588' ' ' VAL . 5.6 p -172.8 164.54 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.393 0 O-C-N 121.289 -0.882 . . . . 0.0 108.736 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 588' ' ' VAL . . . . . 0.451 ' N ' ' CG2' ' B' ' 587' ' ' VAL . 32.5 t -136.58 85.23 25.67 Favored Pre-proline 0 N--CA 1.498 1.932 0 O-C-N 121.753 -0.592 . . . . 0.0 109.624 -179.38 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 589' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -64.52 156.53 60.17 Favored 'Trans proline' 0 C--N 1.32 -0.924 0 C-N-CA 121.183 1.255 . . . . 0.0 109.788 -179.482 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 590' ' ' SER . . . . . 0.54 ' C ' ' H ' ' B' ' 592' ' ' GLU . 66.9 m -165.64 177.9 7.02 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.17 -0.956 . . . . 0.0 109.637 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 591' ' ' LYS . . . . . . . . . . . . . 41.4 tttp 65.55 -10.36 0.21 Allowed 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.556 -0.715 . . . . 0.0 110.077 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 592' ' ' GLU . . . . . 0.54 ' H ' ' C ' ' B' ' 590' ' ' SER . 28.7 tt0 43.79 54.13 5.78 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.369 -0.832 . . . . 0.0 110.024 179.741 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 593' ' ' GLY . . . . . 0.426 ' O ' ' O ' ' B' ' 592' ' ' GLU . . . 62.75 138.45 0.01 OUTLIER Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.426 -1.47 . . . . 0.0 109.426 -179.808 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 594' ' ' SER . . . . . . . . . . . . . 61.6 m -77.83 166.85 22.4 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.152 -1.205 . . . . 0.0 110.227 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 595' ' ' LEU . . . . . 0.57 ' CD2' ' N ' ' B' ' 595' ' ' LEU . 3.1 mm? -93.22 119.7 32.69 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 596' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -127.75 158.33 37.95 Favored 'General case' 0 N--CA 1.508 2.438 0 O-C-N 121.297 -0.877 . . . . 0.0 109.626 -179.833 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 597' ' ' ARG . . . . . 0.491 HH11 ' CG ' ' B' ' 597' ' ' ARG . 0.1 OUTLIER -100.91 -144.83 0.34 Allowed 'General case' 0 N--CA 1.5 2.058 0 O-C-N 121.39 -0.819 . . . . 0.0 110.448 -179.046 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 598' ' ' CYS . . . . . 0.497 ' O ' ' N ' ' B' ' 600' ' ' GLU . 4.6 p -81.98 -95.77 0.05 OUTLIER 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.359 -0.838 . . . . 0.0 110.948 -178.433 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 599' ' ' SER . . . . . 0.476 ' O ' ' N ' ' B' ' 602' ' ' TRP . 29.0 t -44.4 -21.19 0.04 OUTLIER 'General case' 0 N--CA 1.498 1.967 0 CA-C-O 122.208 1.004 . . . . 0.0 108.981 -179.387 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 600' ' ' GLU . . . . . 0.497 ' N ' ' O ' ' B' ' 598' ' ' CYS . 7.7 tp10 -47.32 -36.0 8.77 Favored 'General case' 0 C--N 1.304 -1.401 0 CA-C-O 122.799 1.285 . . . . 0.0 108.037 178.551 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 601' ' ' ILE . . . . . 0.56 ' O ' ' N ' ' B' ' 604' ' ' ARG . 1.3 mp -72.33 -33.01 44.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.055 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 -178.497 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 602' ' ' TRP . . . . . 0.527 ' CD1' ' OG1' ' B' ' 606' ' ' THR . 52.0 t-105 -45.61 -36.68 4.92 Favored 'General case' 0 N--CA 1.492 1.658 0 N-CA-C 107.323 -1.362 . . . . 0.0 107.323 179.597 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 603' ' ' ASP . . . . . . . . . . . . . 29.4 t0 -70.78 -41.56 71.54 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 107.724 -1.213 . . . . 0.0 107.724 177.464 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 604' ' ' ARG . . . . . 0.56 ' N ' ' O ' ' B' ' 601' ' ' ILE . 18.3 mmt-85 -59.25 -38.42 80.01 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.283 -0.886 . . . . 0.0 109.379 179.076 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 605' ' ' ILE . . . . . . . . . . . . . 73.2 mt -87.19 -50.67 13.69 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.971 0 O-C-N 121.674 -0.641 . . . . 0.0 111.223 -179.409 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 606' ' ' THR . . . . . 0.527 ' OG1' ' CD1' ' B' ' 602' ' ' TRP . 90.2 m -45.37 -30.04 1.22 Allowed 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.08 -1.013 . . . . 0.0 110.651 -178.6 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 607' ' ' THR . . . . . 0.466 ' CG2' ' N ' ' B' ' 608' ' ' HIS . 14.7 t -54.99 -45.03 74.98 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.075 -1.016 . . . . 0.0 110.388 -179.261 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 608' ' ' HIS . . . . . 0.466 ' N ' ' CG2' ' B' ' 607' ' ' THR . 89.9 m-70 -59.89 133.8 89.7 Favored Pre-proline 0 N--CA 1.491 1.579 0 O-C-N 121.092 -1.005 . . . . 0.0 109.774 -179.13 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 609' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_endo -64.0 -66.25 0.05 OUTLIER 'Trans proline' 0 C--O 1.214 -0.678 0 C-N-CA 120.848 1.032 . . . . 0.0 109.897 179.198 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 610' ' ' LYS . . . . . 0.508 ' C ' ' H ' ' B' ' 612' ' ' SER . 12.9 mptt -45.48 -64.23 0.77 Allowed 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.329 -0.857 . . . . 0.0 109.598 -179.626 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 611' ' ' TYR . . . . . 0.553 ' CG ' ' O ' ' B' ' 611' ' ' TYR . 12.0 t80 51.58 10.32 0.09 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.25 -0.906 . . . . 0.0 109.03 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 612' ' ' SER . . . . . 0.508 ' H ' ' C ' ' B' ' 610' ' ' LYS . 19.3 m -89.79 -43.88 10.35 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.057 -1.027 . . . . 0.0 109.534 179.646 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 613' ' ' ASP . . . . . 0.479 ' O ' ' O ' ' B' ' 614' ' ' ILE . 3.5 m-20 -61.98 -141.43 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.234 -0.916 . . . . 0.0 109.492 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 614' ' ' ILE . . . . . 0.479 ' O ' ' O ' ' B' ' 613' ' ' ASP . 73.9 mt 53.1 165.07 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 O-C-N 121.415 -0.803 . . . . 0.0 110.628 179.105 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 615' ' ' ASP . . . . . 0.408 ' N ' ' CG2' ' B' ' 614' ' ' ILE . 0.8 OUTLIER -123.87 124.95 43.77 Favored 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 179.542 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 616' ' ' VAL . . . . . . . . . . . . . 82.9 t -78.85 -17.64 13.33 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.355 -0.841 . . . . 0.0 109.394 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 617' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -77.08 -38.29 52.71 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.223 -0.923 . . . . 0.0 110.627 -179.379 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 618' ' ' GLY . . . . . 0.419 ' O ' ' OE1' ' B' ' 622' ' ' GLU . . . -66.38 -42.81 93.7 Favored Glycine 0 N--CA 1.492 2.376 0 N-CA-C 109.699 -1.36 . . . . 0.0 109.699 -179.549 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 619' ' ' LEU . . . . . 0.493 ' CD2' ' N ' ' B' ' 619' ' ' LEU . 0.1 OUTLIER -63.75 -25.62 68.27 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 107.447 -1.316 . . . . 0.0 107.447 179.46 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 620' ' ' CYS . . . . . 0.423 ' O ' ' CB ' ' B' ' 624' ' ' MET . 10.2 t -68.85 -58.64 3.89 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.387 -0.821 . . . . 0.0 110.989 -179.585 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 16.5 m -76.59 -2.08 30.75 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 120.384 -1.448 . . . . 0.0 110.338 -179.253 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 622' ' ' GLU . . . . . 0.516 ' OE2' ' NE2' ' B' ' 648' ' ' HIS . 47.7 mt-10 -99.28 -47.71 5.08 Favored 'General case' 0 C--N 1.297 -1.714 0 O-C-N 121.218 -0.926 . . . . 0.0 109.306 178.016 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 623' ' ' LEU . . . . . . . . . . . . . 7.0 mp -87.66 -20.78 25.83 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 120.671 -1.268 . . . . 0.0 110.378 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 624' ' ' MET . . . . . 0.423 ' CB ' ' O ' ' B' ' 620' ' ' CYS . 26.6 ttt -71.27 -31.66 67.76 Favored 'General case' 0 N--CA 1.502 2.16 0 O-C-N 120.664 -1.272 . . . . 0.0 112.498 -177.551 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 625' ' ' ALA . . . . . . . . . . . . . . . -102.69 -4.51 24.98 Favored 'General case' 0 N--CA 1.506 2.343 0 O-C-N 120.672 -1.267 . . . . 0.0 109.427 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 626' ' ' LYS . . . . . . . . . . . . . 46.9 mttp -95.1 -12.07 27.14 Favored 'General case' 0 N--CA 1.493 1.694 0 N-CA-C 106.722 -1.584 . . . . 0.0 106.722 176.546 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 627' ' ' ALA . . . . . . . . . . . . . . . -49.37 149.98 1.99 Allowed 'General case' 0 N--CA 1.493 1.702 0 CA-C-O 121.381 0.61 . . . . 0.0 110.683 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 628' ' ' LYS . . . . . . . . . . . . . 7.9 tppt? -124.35 93.28 3.86 Favored 'General case' 0 N--CA 1.499 2.008 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 179.304 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 629' ' ' CYS . . . . . . . . . . . . . 23.5 t -51.02 120.63 5.07 Favored 'General case' 0 N--CA 1.494 1.734 0 CA-C-O 122.355 1.074 . . . . 0.0 111.335 -178.375 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 630' ' ' SER . . . . . . . . . . . . . 23.0 p -143.13 159.29 42.56 Favored 'General case' 0 N--CA 1.493 1.679 0 N-CA-C 107.669 -1.234 . . . . 0.0 107.669 178.466 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 631' ' ' GLU . . . . . 0.514 ' C ' ' H ' ' B' ' 633' ' ' GLY . 43.2 tt0 -61.26 -23.57 65.76 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.401 -1.437 . . . . 0.0 108.688 179.803 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 56.6 mtp180 -82.81 27.13 0.55 Allowed 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 107.323 -1.362 . . . . 0.0 107.323 177.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 633' ' ' GLY . . . . . 0.514 ' H ' ' C ' ' B' ' 631' ' ' GLU . . . 77.76 -169.62 54.73 Favored Glycine 0 N--CA 1.492 2.367 0 N-CA-C 108.307 -1.917 . . . . 0.0 108.307 -178.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 634' ' ' VAL . . . . . . . . . . . . . 32.8 m -77.94 144.05 11.9 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 O-C-N 120.689 -1.477 . . . . 0.0 109.515 179.506 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 3.7 p -135.09 143.05 38.3 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.19 0 O-C-N 121.016 -1.052 . . . . 0.0 109.644 179.072 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 636' ' ' ILE . . . . . . . . . . . . . 95.4 mt -133.31 152.83 36.2 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 -179.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 637' ' ' ASN . . . . . 0.434 ' C ' ' H ' ' B' ' 639' ' ' GLU . 23.5 t-20 -86.52 132.36 33.94 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.224 -0.923 . . . . 0.0 109.419 179.651 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -50.18 -10.96 0.06 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.735 -0.603 . . . . 0.0 110.587 -179.543 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 639' ' ' GLU . . . . . 0.434 ' H ' ' C ' ' B' ' 637' ' ' ASN . 41.1 tt0 -81.22 -21.88 39.2 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 120.78 -1.2 . . . . 0.0 110.874 -179.268 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 640' ' ' ASP . . . . . . . . . . . . . 51.9 m-20 -84.37 -56.82 3.43 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.187 -1.57 . . . . 0.0 108.088 178.081 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 641' ' ' VAL . . . . . 0.51 ' O ' ' N ' ' B' ' 644' ' ' ALA . 7.6 p -51.54 -56.17 6.33 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 120.96 -1.088 . . . . 0.0 108.494 177.779 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 642' ' ' GLN . . . . . 0.473 ' H ' ' CG1' ' B' ' 641' ' ' VAL . 24.0 mm100 -48.45 -35.73 13.51 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.933 -1.104 . . . . 0.0 109.442 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 643' ' ' LEU . . . . . . . . . . . . . 35.5 tp -77.64 -21.59 51.98 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.147 -0.971 . . . . 0.0 108.549 178.273 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 644' ' ' ALA . . . . . 0.51 ' N ' ' O ' ' B' ' 641' ' ' VAL . . . -88.34 -46.88 8.82 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.939 -1.101 . . . . 0.0 109.36 178.44 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 645' ' ' LEU . . . . . . . . . . . . . 97.5 mt -66.82 -27.59 67.69 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.958 -1.089 . . . . 0.0 110.032 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 646' ' ' ASN . . . . . 0.406 ' ND2' ' O ' ' B' ' 646' ' ' ASN . 3.3 t30 -88.67 -8.04 55.3 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 120.887 -1.133 . . . . 0.0 109.32 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 647' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -97.6 -8.68 28.42 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.199 -0.938 . . . . 0.0 109.314 179.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 648' ' ' HIS . . . . . 0.516 ' NE2' ' OE2' ' B' ' 622' ' ' GLU . 9.9 m-70 -114.04 12.54 17.97 Favored 'General case' 0 N--CA 1.5 2.06 0 O-C-N 121.456 -0.778 . . . . 0.0 109.831 -179.731 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 649' ' ' MET . . . . . . . . . . . . . 6.8 mmt -96.25 144.13 26.71 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.126 -0.984 . . . . 0.0 109.329 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 650' ' ' ASN . . . . . . . . . . . . . 25.9 p-10 . . . . . 0 N--CA 1.49 1.554 0 CA-C-O 118.019 -0.991 . . . . 0.0 109.406 -179.983 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 279' ' ' ASN . . . . . . . . . . . . . 1.6 p30 . . . . . 0 N--CA 1.49 1.573 0 CA-C-O 121.31 0.576 . . . . 0.0 109.51 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . 13.7 mt 54.56 52.61 11.99 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.231 -0.918 . . . . 0.0 109.514 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 281' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 52.62 96.13 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.273 -0.892 . . . . 0.0 109.461 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 282' ' ' SER . . . . . . . . . . . . . 40.4 t -169.98 73.37 0.07 Allowed 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.259 -0.901 . . . . 0.0 109.513 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 283' ' ' ASN . . . . . 0.455 ' O ' ' CD2' ' A' ' 285' ' ' PHE . 58.3 t-20 52.32 74.87 0.25 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.237 -0.915 . . . . 0.0 109.466 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 284' ' ' MET . . . . . . . . . . . . . 34.6 ttp -74.33 4.05 6.42 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.178 -0.951 . . . . 0.0 109.278 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 285' ' ' PHE . . . . . 0.455 ' CD2' ' O ' ' A' ' 283' ' ' ASN . 93.0 m-85 51.72 25.28 2.8 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.159 -0.963 . . . . 0.0 109.538 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 286' ' ' SER . . . . . . . . . . . . . 13.1 t 48.42 39.59 13.02 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.225 -0.922 . . . . 0.0 109.459 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 287' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -63.65 126.91 29.11 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.203 -0.936 . . . . 0.0 109.348 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 288' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -170.64 -76.51 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.249 -0.907 . . . . 0.0 109.487 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 289' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -69.13 -64.58 0.84 Allowed 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.269 -0.894 . . . . 0.0 109.587 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 290' ' ' ASN . . . . . . . . . . . . . 72.4 m-80 -157.06 141.15 16.31 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.19 -0.944 . . . . 0.0 109.596 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 291' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -75.88 -50.62 14.53 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.188 -0.945 . . . . 0.0 109.539 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 292' ' ' GLU . . . . . 0.531 ' CD ' ' H ' ' A' ' 292' ' ' GLU . 7.8 pm0 -49.66 -29.61 7.62 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.2 -0.937 . . . . 0.0 109.536 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 293' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -90.4 -41.59 11.39 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.239 -0.913 . . . . 0.0 109.63 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 294' ' ' GLN . . . . . . . . . . . . . 52.1 tp60 -75.84 131.35 39.66 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.26 -0.9 . . . . 0.0 109.569 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 295' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -85.82 -82.47 0.19 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.28 -0.888 . . . . 0.0 109.744 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . 29.4 t0 -171.59 110.1 0.29 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.104 -0.998 . . . . 0.0 109.399 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 297' ' ' GLU . . . . . . . . . . . . . 58.0 tt0 -45.6 130.42 8.9 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.41 -0.806 . . . . 0.0 109.942 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 298' ' ' GLN . . . . . . . . . . . . . 10.0 tp-100 -163.16 -22.58 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.369 -0.832 . . . . 0.0 109.103 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 299' ' ' VAL . . . . . 0.44 ' C ' ' N ' ' A' ' 301' ' ' GLU . 1.2 m -53.83 -100.51 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 O-C-N 121.407 -0.808 . . . . 0.0 109.874 179.689 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 300' ' ' SER . . . . . 0.569 ' C ' ' N ' ' A' ' 302' ' ' PHE . 19.6 m 52.94 18.59 1.11 Allowed 'General case' 0 C--N 1.292 -1.896 0 N-CA-C 107.748 -1.204 . . . . 0.0 107.748 -177.172 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 301' ' ' GLU . . . . . 0.44 ' N ' ' C ' ' A' ' 299' ' ' VAL . 7.0 pt-20 -44.73 -23.0 0.1 Allowed 'General case' 0 N--CA 1.496 1.845 0 N-CA-C 106.3 -1.741 . . . . 0.0 106.3 177.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 302' ' ' PHE . . . . . 0.569 ' N ' ' C ' ' A' ' 300' ' ' SER . 19.9 t80 -69.58 -65.37 0.72 Allowed 'General case' 0 C--N 1.299 -1.619 0 CA-C-N 113.387 -1.733 . . . . 0.0 110.024 178.834 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 303' ' ' CYS . . . . . . . . . . . . . 8.5 t -66.71 -51.18 58.93 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.086 -1.009 . . . . 0.0 110.26 -179.515 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 36.0 t -51.52 -25.71 7.12 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.353 -0.842 . . . . 0.0 111.808 -178.519 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -100.23 -14.04 18.64 Favored 'General case' 0 N--CA 1.508 2.452 0 O-C-N 120.806 -1.184 . . . . 0.0 109.12 178.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 306' ' ' MET . . . . . 0.51 ' SD ' ' CE2' ' A' ' 302' ' ' PHE . 12.0 mtp -74.86 -25.24 58.84 Favored 'General case' 0 C--N 1.297 -1.688 0 N-CA-C 106.779 -1.563 . . . . 0.0 106.779 177.197 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 307' ' ' ASN . . . . . 0.461 ' O ' ' C ' ' A' ' 308' ' ' GLN . 0.7 OUTLIER -81.51 -42.85 19.63 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 106.246 -1.761 . . . . 0.0 106.246 179.083 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 308' ' ' GLN . . . . . 0.519 ' O ' ' N ' ' A' ' 310' ' ' CYS . 19.0 mt-30 -35.56 -40.51 0.17 Allowed 'General case' 0 N--CA 1.508 2.452 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 178.563 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 309' ' ' VAL . . . . . . . . . . . . . 16.6 t -45.05 -17.64 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.885 0 CA-C-O 121.727 0.775 . . . . 0.0 109.412 178.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 310' ' ' CYS . . . . . 0.519 ' N ' ' O ' ' A' ' 308' ' ' GLN . 13.7 m -83.42 -52.13 6.78 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 179.778 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 311' ' ' GLY . . . . . . . . . . . . . . . -63.96 131.21 39.61 Favored Glycine 0 N--CA 1.49 2.247 0 N-CA-C 109.535 -1.426 . . . . 0.0 109.535 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 312' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -129.47 91.39 3.16 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.479 -1.012 . . . . 0.0 109.279 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 313' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 . . . . . 0 N--CA 1.491 1.608 0 CA-C-O 117.997 -1.002 . . . . 0.0 109.436 179.949 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 565' ' ' ASN . . . . . . . . . . . . . 16.7 m120 . . . . . 0 N--CA 1.491 1.596 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 566' ' ' GLY . . . . . . . . . . . . . . . 179.21 104.39 0.18 Allowed Glycine 0 N--CA 1.49 2.257 0 N-CA-C 109.517 -1.433 . . . . 0.0 109.517 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 567' ' ' SER . . . . . . . . . . . . . 30.5 t -171.39 85.03 0.08 Allowed 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.227 -1.16 . . . . 0.0 109.421 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 568' ' ' SER . . . . . . . . . . . . . 77.3 p -169.96 50.4 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.21 -0.931 . . . . 0.0 109.497 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 569' ' ' LEU . . . . . . . . . . . . . 16.0 mt -69.36 -70.03 0.3 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.332 -0.855 . . . . 0.0 109.442 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 570' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -65.82 -163.07 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.261 -0.899 . . . . 0.0 109.449 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 571' ' ' ASN . . . . . 0.424 ' OD1' ' N ' ' B' ' 571' ' ' ASN . 15.7 p-10 -167.28 84.23 0.23 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.279 -0.888 . . . . 0.0 109.401 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -168.77 89.25 0.22 Allowed 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.232 -0.917 . . . . 0.0 109.473 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 573' ' ' ASP . . . . . 0.511 ' CG ' ' H ' ' B' ' 574' ' ' LYS . 2.6 p-10 -64.88 -100.91 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.325 -0.86 . . . . 0.0 109.406 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 574' ' ' LYS . . . . . 0.511 ' H ' ' CG ' ' B' ' 573' ' ' ASP . 37.0 mtmt 54.99 74.53 0.35 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.202 -0.937 . . . . 0.0 109.463 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 575' ' ' ILE . . . . . 0.417 ' O ' ' OD1' ' B' ' 576' ' ' ASN . 15.2 mm 55.27 61.28 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.229 -0.919 . . . . 0.0 109.505 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 576' ' ' ASN . . . . . 0.417 ' OD1' ' O ' ' B' ' 575' ' ' ILE . 80.7 m-20 -158.39 141.68 15.02 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.195 -0.941 . . . . 0.0 109.418 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 577' ' ' ASN . . . . . . . . . . . . . 69.4 m-80 -67.25 164.08 19.09 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.268 -0.895 . . . . 0.0 109.455 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 578' ' ' GLY . . . . . . . . . . . . . . . 176.43 26.46 0.03 OUTLIER Glycine 0 N--CA 1.491 2.327 0 N-CA-C 109.553 -1.419 . . . . 0.0 109.553 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 579' ' ' ASN . . . . . 0.483 ' O ' ' N ' ' B' ' 581' ' ' ASN . 51.6 t30 -169.98 115.39 0.52 Allowed 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.194 -1.18 . . . . 0.0 109.408 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 580' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 50.74 -93.07 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.295 -0.878 . . . . 0.0 109.457 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 581' ' ' ASN . . . . . 0.483 ' N ' ' O ' ' B' ' 579' ' ' ASN . 6.0 t30 -166.94 -72.74 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.265 -0.897 . . . . 0.0 109.431 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 582' ' ' ASP . . . . . 0.479 ' O ' ' ND2' ' B' ' 583' ' ' ASN . 20.6 m-20 -60.91 143.77 54.33 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.249 -0.907 . . . . 0.0 109.476 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 583' ' ' ASN . . . . . 0.479 ' ND2' ' O ' ' B' ' 582' ' ' ASP . 35.7 m120 -157.33 132.34 8.85 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.187 -0.945 . . . . 0.0 109.459 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 584' ' ' ASP . . . . . 0.473 ' N ' ' OD1' ' B' ' 584' ' ' ASP . 1.0 OUTLIER 51.91 179.32 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.236 -0.915 . . . . 0.0 109.529 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 585' ' ' ASN . . . . . . . . . . . . . 34.3 m120 -75.27 119.38 19.3 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.238 -0.914 . . . . 0.0 109.439 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 586' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -171.39 131.45 0.75 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.229 -0.919 . . . . 0.0 109.455 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 587' ' ' VAL . . . . . . . . . . . . . 1.6 m -148.66 112.95 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 121.237 -0.914 . . . . 0.0 109.159 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 588' ' ' VAL . . . . . 0.638 ' N ' ' CD ' ' B' ' 589' ' ' PRO . 1.8 t -85.26 -35.64 0.54 Allowed Pre-proline 0 N--CA 1.49 1.567 0 O-C-N 121.18 -0.95 . . . . 0.0 111.533 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 589' ' ' PRO . . . . . 0.638 ' CD ' ' N ' ' B' ' 588' ' ' VAL . 2.5 Cg_endo -68.22 124.88 12.22 Favored 'Trans proline' 0 C--O 1.215 -0.642 0 C-N-CA 120.749 0.966 . . . . 0.0 109.817 -179.211 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 590' ' ' SER . . . . . . . . . . . . . 30.8 t -65.74 152.27 44.68 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.227 -0.921 . . . . 0.0 109.287 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 591' ' ' LYS . . . . . . . . . . . . . 38.9 tptt -165.76 129.83 2.26 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.28 -0.887 . . . . 0.0 109.196 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 64.2 mt-10 -150.54 179.48 8.13 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.235 -0.916 . . . . 0.0 109.114 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 593' ' ' GLY . . . . . . . . . . . . . . . 169.21 44.41 0.03 OUTLIER Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.638 -1.385 . . . . 0.0 109.638 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 594' ' ' SER . . . . . . . . . . . . . 62.3 m -71.32 164.51 25.58 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.171 -1.193 . . . . 0.0 109.915 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 595' ' ' LEU . . . . . 0.535 ' CD1' ' N ' ' B' ' 595' ' ' LEU . 7.3 mp -88.4 114.29 24.86 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 121.633 -0.667 . . . . 0.0 109.343 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 596' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -126.05 153.71 44.04 Favored 'General case' 0 N--CA 1.502 2.126 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 179.466 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 597' ' ' ARG . . . . . 0.402 ' H ' ' HG3' ' B' ' 600' ' ' GLU . 62.6 mtm180 -101.53 -134.57 0.3 Allowed 'General case' 0 N--CA 1.501 2.118 0 O-C-N 121.277 -0.889 . . . . 0.0 111.611 -177.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 598' ' ' CYS . . . . . 0.522 ' O ' ' N ' ' B' ' 600' ' ' GLU . 6.1 p -84.79 -102.8 0.05 Allowed 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.553 -0.717 . . . . 0.0 111.464 -177.863 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 599' ' ' SER . . . . . 0.479 ' O ' ' N ' ' B' ' 602' ' ' TRP . 29.5 t -43.53 -19.58 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.911 0 CA-C-O 121.939 0.876 . . . . 0.0 109.681 -178.87 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 600' ' ' GLU . . . . . 0.522 ' N ' ' O ' ' B' ' 598' ' ' CYS . 55.3 mm-40 -47.25 -37.21 10.12 Favored 'General case' 0 C--N 1.303 -1.446 0 CA-C-O 122.269 1.033 . . . . 0.0 108.563 179.041 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 601' ' ' ILE . . . . . 0.549 ' O ' ' N ' ' B' ' 604' ' ' ARG . 1.3 mp -71.04 -32.62 48.81 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.07 0 N-CA-C 107.783 -1.191 . . . . 0.0 107.783 -178.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 602' ' ' TRP . . . . . 0.479 ' N ' ' O ' ' B' ' 599' ' ' SER . 61.1 t-105 -44.8 -38.44 4.51 Favored 'General case' 0 N--CA 1.493 1.712 0 N-CA-C 107.465 -1.309 . . . . 0.0 107.465 179.493 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 603' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -69.75 -43.14 72.87 Favored 'General case' 0 C--N 1.302 -1.498 0 N-CA-C 107.8 -1.185 . . . . 0.0 107.8 177.522 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 604' ' ' ARG . . . . . 0.549 ' N ' ' O ' ' B' ' 601' ' ' ILE . 20.6 mmm-85 -56.75 -26.89 58.35 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.346 -0.846 . . . . 0.0 109.244 179.111 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 605' ' ' ILE . . . . . . . . . . . . . 81.0 mt -86.02 -45.75 16.89 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.829 0 O-C-N 121.457 -0.777 . . . . 0.0 110.39 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 606' ' ' THR . . . . . . . . . . . . . 21.8 p -49.78 -42.18 46.09 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.972 -1.08 . . . . 0.0 110.17 -179.133 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 607' ' ' THR . . . . . 0.447 ' CG2' ' O ' ' B' ' 604' ' ' ARG . 0.1 OUTLIER -53.91 -46.65 71.52 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.118 -0.988 . . . . 0.0 109.859 -179.487 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 608' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -48.03 109.96 1.27 Allowed Pre-proline 0 N--CA 1.493 1.719 0 O-C-N 121.13 -0.981 . . . . 0.0 109.025 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 609' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -64.0 -30.56 66.61 Favored 'Trans proline' 0 C--O 1.215 -0.653 0 N-CA-C 109.707 -0.92 . . . . 0.0 109.707 -179.181 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 610' ' ' LYS . . . . . 0.519 ' C ' ' H ' ' B' ' 612' ' ' SER . 0.0 OUTLIER -82.17 53.6 2.29 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.39 -0.819 . . . . 0.0 109.591 -179.793 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 611' ' ' TYR . . . . . 0.458 ' O ' ' CD2' ' B' ' 611' ' ' TYR . 88.1 t80 -70.45 11.73 0.32 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.307 -0.871 . . . . 0.0 109.34 179.801 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 612' ' ' SER . . . . . 0.519 ' H ' ' C ' ' B' ' 610' ' ' LYS . 94.0 p -43.05 -77.3 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.428 -0.795 . . . . 0.0 110.508 -179.582 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 613' ' ' ASP . . . . . . . . . . . . . 58.8 m-20 -150.79 149.85 30.25 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.091 -1.006 . . . . 0.0 109.849 -179.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 614' ' ' ILE . . . . . . . . . . . . . 8.5 mt -146.76 -125.01 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 O-C-N 121.406 -0.809 . . . . 0.0 108.947 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 615' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -158.97 95.24 1.27 Allowed 'General case' 0 C--N 1.303 -1.431 0 N-CA-C 107.697 -1.223 . . . . 0.0 107.697 179.663 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 616' ' ' VAL . . . . . . . . . . . . . 26.9 t -82.4 -19.29 10.55 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 121.679 -0.638 . . . . 0.0 110.174 -179.36 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 617' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 -64.88 -45.96 83.79 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.216 -0.928 . . . . 0.0 110.802 -178.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 618' ' ' GLY . . . . . . . . . . . . . . . -66.31 -36.15 91.29 Favored Glycine 0 N--CA 1.494 2.524 0 C-N-CA 119.875 -1.155 . . . . 0.0 110.506 -179.036 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 619' ' ' LEU . . . . . . . . . . . . . 2.7 mt -65.91 -21.32 66.44 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.929 -1.336 . . . . 0.0 108.144 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 620' ' ' CYS . . . . . . . . . . . . . 13.9 t -69.15 -52.44 28.11 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.583 -0.698 . . . . 0.0 110.14 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 97.7 p -83.91 -1.49 54.63 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 120.706 -1.246 . . . . 0.0 110.166 -179.587 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 622' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -100.24 -47.21 5.03 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.04 -1.037 . . . . 0.0 109.629 178.639 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 623' ' ' LEU . . . . . . . . . . . . . 10.0 mp -85.42 -18.81 32.56 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 120.819 -1.176 . . . . 0.0 110.067 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 624' ' ' MET . . . . . . . . . . . . . 24.6 ttt -72.87 -26.63 61.52 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.736 -1.227 . . . . 0.0 111.23 -178.675 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 625' ' ' ALA . . . . . . . . . . . . . . . -105.52 -26.77 11.76 Favored 'General case' 0 N--CA 1.504 2.231 0 O-C-N 120.887 -1.133 . . . . 0.0 109.471 179.706 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 626' ' ' LYS . . . . . . . . . . . . . 35.6 mmtm -65.15 -12.79 54.78 Favored 'General case' 0 C--N 1.3 -1.57 0 N-CA-C 106.243 -1.762 . . . . 0.0 106.243 177.017 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 627' ' ' ALA . . . . . . . . . . . . . . . -46.4 140.8 3.94 Favored 'General case' 0 N--CA 1.492 1.669 0 CA-C-N 114.979 -1.01 . . . . 0.0 111.421 -179.688 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 628' ' ' LYS . . . . . 0.527 ' NZ ' ' OD1' ' B' ' 637' ' ' ASN . 79.0 mttt -119.0 96.36 5.21 Favored 'General case' 0 N--CA 1.498 1.927 0 N-CA-C 108.15 -1.056 . . . . 0.0 108.15 178.461 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 629' ' ' CYS . . . . . . . . . . . . . 38.9 t -54.98 116.32 2.69 Favored 'General case' 0 N--CA 1.493 1.716 0 CA-C-O 122.333 1.063 . . . . 0.0 111.9 -178.19 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 630' ' ' SER . . . . . 0.4 ' HG ' ' N ' ' B' ' 631' ' ' GLU . 47.1 t -142.89 158.92 43.15 Favored 'General case' 0 N--CA 1.496 1.866 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 178.281 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 631' ' ' GLU . . . . . 0.581 ' C ' ' H ' ' B' ' 633' ' ' GLY . 9.9 mm-40 -64.21 -22.98 67.15 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.26 -1.525 . . . . 0.0 109.249 -179.763 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 632' ' ' ARG . . . . . 0.569 ' CG ' HH11 ' B' ' 632' ' ' ARG . 0.2 OUTLIER -78.06 33.61 0.19 Allowed 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 107.498 -1.297 . . . . 0.0 107.498 177.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 633' ' ' GLY . . . . . 0.581 ' H ' ' C ' ' B' ' 631' ' ' GLU . . . 71.37 -170.13 48.57 Favored Glycine 0 N--CA 1.489 2.169 0 N-CA-C 107.176 -2.37 . . . . 0.0 107.176 -178.329 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 634' ' ' VAL . . . . . . . . . . . . . 7.7 p -77.85 141.95 14.83 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.43 0 O-C-N 120.235 -1.744 . . . . 0.0 109.649 179.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 34.6 m -136.07 138.52 47.21 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.029 0 O-C-N 121.104 -0.997 . . . . 0.0 108.93 178.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 636' ' ' ILE . . . . . . . . . . . . . 92.6 mt -133.38 154.73 39.57 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.856 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 -179.475 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 637' ' ' ASN . . . . . 0.527 ' OD1' ' NZ ' ' B' ' 628' ' ' LYS . 16.9 m120 -87.56 133.88 33.72 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.162 -0.962 . . . . 0.0 110.119 -179.578 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -47.68 -9.55 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.713 -0.617 . . . . 0.0 110.585 179.472 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 639' ' ' GLU . . . . . 0.523 ' N ' ' O ' ' B' ' 637' ' ' ASN . 40.1 tt0 -76.62 -19.86 57.36 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.026 -1.046 . . . . 0.0 110.077 179.363 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 640' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -87.04 -49.14 7.53 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 120.249 -1.532 . . . . 0.0 109.417 178.218 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 641' ' ' VAL . . . . . 0.419 HG12 ' H ' ' B' ' 642' ' ' GLN . 0.7 OUTLIER -62.88 -49.47 83.5 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 120.699 -1.25 . . . . 0.0 109.195 179.291 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 642' ' ' GLN . . . . . 0.419 ' H ' HG12 ' B' ' 641' ' ' VAL . 0.0 OUTLIER -56.67 -36.35 69.48 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.795 -1.191 . . . . 0.0 109.877 -179.316 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 643' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -79.16 -17.91 54.09 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.886 -1.134 . . . . 0.0 108.505 178.464 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 644' ' ' ALA . . . . . . . . . . . . . . . -87.98 -54.35 4.27 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.791 -1.193 . . . . 0.0 109.298 178.366 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 645' ' ' LEU . . . . . . . . . . . . . 77.4 mt -61.89 -24.69 67.1 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.162 -0.961 . . . . 0.0 110.475 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 646' ' ' ASN . . . . . 0.413 ' OD1' ' N ' ' B' ' 647' ' ' LYS . 43.8 p-10 -92.56 -10.43 37.64 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 120.778 -1.201 . . . . 0.0 109.944 -179.807 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 647' ' ' LYS . . . . . 0.453 ' CB ' ' HZ3' ' B' ' 647' ' ' LYS . 7.6 ttpm? -103.55 -11.74 17.56 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.36 -0.838 . . . . 0.0 109.497 -179.715 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 648' ' ' HIS . . . . . . . . . . . . . 81.8 m-70 -111.56 6.09 19.84 Favored 'General case' 0 N--CA 1.496 1.857 0 N-CA-C 108.949 -0.759 . . . . 0.0 108.949 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 649' ' ' MET . . . . . . . . . . . . . 34.4 ttm -96.53 129.5 43.89 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.421 -0.799 . . . . 0.0 109.522 -179.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 650' ' ' ASN . . . . . 0.421 HD21 ' C ' ' B' ' 650' ' ' ASN . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.549 0 CA-C-O 117.942 -1.027 . . . . 0.0 109.474 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 279' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 . . . . . 0 N--CA 1.492 1.625 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 280' ' ' LEU . . . . . 0.509 ' CD1' ' N ' ' A' ' 280' ' ' LEU . 8.2 mp -73.81 90.59 1.89 Allowed 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.278 -0.889 . . . . 0.0 109.366 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 281' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -77.96 -143.81 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.27 -0.894 . . . . 0.0 109.495 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 282' ' ' SER . . . . . . . . . . . . . 10.5 m 52.98 -131.57 2.1 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.225 -0.922 . . . . 0.0 109.463 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 283' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 53.56 33.73 16.96 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.285 -0.884 . . . . 0.0 109.472 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 284' ' ' MET . . . . . . . . . . . . . 4.2 ptt? -80.25 126.27 30.91 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.264 -0.897 . . . . 0.0 109.466 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 285' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 49.08 -167.37 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.239 -0.913 . . . . 0.0 109.546 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 286' ' ' SER . . . . . . . . . . . . . 51.8 m -61.18 154.75 22.5 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.226 -0.921 . . . . 0.0 109.522 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 287' ' ' ASN . . . . . . . . . . . . . 32.3 m120 -71.65 -134.39 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.273 -0.892 . . . . 0.0 109.475 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 288' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -158.07 20.87 0.25 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.253 -0.905 . . . . 0.0 109.593 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 289' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -64.54 -79.73 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.153 -0.967 . . . . 0.0 109.487 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 290' ' ' ASN . . . . . 0.617 ' N ' HD21 ' A' ' 290' ' ' ASN . 1.0 OUTLIER -60.83 -171.72 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.28 -0.887 . . . . 0.0 109.479 179.924 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 291' ' ' PHE . . . . . 0.526 ' O ' ' CD2' ' A' ' 291' ' ' PHE . 71.7 t80 -170.02 -3.49 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.286 -0.884 . . . . 0.0 109.492 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 292' ' ' GLU . . . . . . . . . . . . . 61.2 tt0 -71.84 -65.56 0.75 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.204 -0.935 . . . . 0.0 109.515 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 293' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -70.17 146.64 50.64 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.271 -0.893 . . . . 0.0 109.466 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 294' ' ' GLN . . . . . 0.427 ' N ' ' CD ' ' A' ' 294' ' ' GLN . 27.7 mp0 -84.66 85.59 7.42 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.283 -0.885 . . . . 0.0 109.748 -179.806 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 295' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -78.34 133.04 37.65 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.223 -0.923 . . . . 0.0 109.434 179.672 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 296' ' ' ASP . . . . . 0.402 ' C ' ' H ' ' A' ' 298' ' ' GLN . 32.8 t70 -169.91 86.87 0.14 Allowed 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.368 -0.832 . . . . 0.0 109.523 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 297' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -79.73 39.15 0.41 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.256 -0.902 . . . . 0.0 109.37 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 298' ' ' GLN . . . . . 0.402 ' H ' ' C ' ' A' ' 296' ' ' ASP . 36.0 tt0 -75.21 -11.83 60.16 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.289 -0.882 . . . . 0.0 109.48 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 299' ' ' VAL . . . . . 0.551 ' C ' ' H ' ' A' ' 301' ' ' GLU . 7.4 m -87.84 66.72 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 121.191 -0.943 . . . . 0.0 109.712 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 300' ' ' SER . . . . . 0.495 ' C ' ' N ' ' A' ' 302' ' ' PHE . 4.3 m -74.18 30.54 0.08 Allowed 'General case' 0 C--N 1.29 -1.987 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 178.386 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 301' ' ' GLU . . . . . 0.551 ' H ' ' C ' ' A' ' 299' ' ' VAL . 14.5 pt-20 -44.49 -25.99 0.31 Allowed 'General case' 0 N--CA 1.494 1.75 0 N-CA-C 107.051 -1.463 . . . . 0.0 107.051 178.495 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 302' ' ' PHE . . . . . 0.495 ' N ' ' C ' ' A' ' 300' ' ' SER . 68.5 t80 -73.89 -66.26 0.73 Allowed 'General case' 0 C--N 1.302 -1.488 0 CA-C-N 114.588 -1.187 . . . . 0.0 109.812 178.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 303' ' ' CYS . . . . . . . . . . . . . 4.4 t -67.07 -49.71 64.18 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.182 -0.949 . . . . 0.0 108.874 179.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 304' ' ' SER . . . . . 0.468 ' N ' ' O ' ' A' ' 300' ' ' SER . 35.5 t -50.09 -24.57 2.78 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.394 -0.816 . . . . 0.0 110.104 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . 16.6 ttpp -101.22 -14.21 17.79 Favored 'General case' 0 N--CA 1.502 2.13 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 178.063 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 306' ' ' MET . . . . . . . . . . . . . 3.9 tpp -72.88 -25.07 60.95 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 107.262 -1.384 . . . . 0.0 107.262 177.238 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 307' ' ' ASN . . . . . 0.466 ' O ' ' N ' ' A' ' 310' ' ' CYS . 1.2 t30 -87.34 -40.79 14.14 Favored 'General case' 0 N--CA 1.494 1.756 0 N-CA-C 106.436 -1.69 . . . . 0.0 106.436 178.539 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 308' ' ' GLN . . . . . 0.522 ' O ' ' N ' ' A' ' 310' ' ' CYS . 32.9 tt0 -34.92 -40.35 0.11 Allowed 'General case' 0 N--CA 1.504 2.229 0 CA-C-O 121.337 0.589 . . . . 0.0 109.656 178.539 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 309' ' ' VAL . . . . . . . . . . . . . 53.0 t -46.48 -14.92 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.857 0 CA-C-O 121.667 0.746 . . . . 0.0 109.444 179.217 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 310' ' ' CYS . . . . . 0.522 ' N ' ' O ' ' A' ' 308' ' ' GLN . 3.3 m -86.03 22.93 1.6 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.469 -0.769 . . . . 0.0 109.18 179.234 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 311' ' ' GLY . . . . . . . . . . . . . . . -88.78 116.76 4.71 Favored Glycine 0 N--CA 1.494 2.543 0 N-CA-C 109.404 -1.478 . . . . 0.0 109.404 179.624 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 312' ' ' THR . . . . . . . . . . . . . 25.1 m -82.49 148.41 28.14 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.241 -1.152 . . . . 0.0 109.657 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 313' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 . . . . . 0 N--CA 1.491 1.591 0 CA-C-O 118.1 -0.952 . . . . 0.0 109.472 179.879 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 565' ' ' ASN . . . . . . . . . . . . . 20.6 m120 . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 566' ' ' GLY . . . . . . . . . . . . . . . -178.73 94.42 0.09 OUTLIER Glycine 0 N--CA 1.491 2.336 0 N-CA-C 109.553 -1.419 . . . . 0.0 109.553 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 567' ' ' SER . . . . . . . . . . . . . 80.6 p -64.82 -173.29 0.1 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.301 -1.117 . . . . 0.0 109.48 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 568' ' ' SER . . . . . . . . . . . . . 43.9 t -169.4 162.7 10.4 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.223 -0.923 . . . . 0.0 109.388 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 569' ' ' LEU . . . . . . . . . . . . . 18.1 mt -71.12 -75.27 0.13 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.265 -0.897 . . . . 0.0 109.527 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 570' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 -86.4 175.11 8.58 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.241 -0.912 . . . . 0.0 109.408 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 571' ' ' ASN . . . . . . . . . . . . . 27.8 m120 -158.2 -162.77 1.18 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.279 -0.888 . . . . 0.0 109.39 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 572' ' ' ALA . . . . . 0.464 ' C ' ' H ' ' B' ' 574' ' ' LYS . . . -171.77 72.04 0.05 OUTLIER 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.194 -0.941 . . . . 0.0 109.332 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 573' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -79.25 30.68 0.22 Allowed 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.279 -0.888 . . . . 0.0 109.093 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 574' ' ' LYS . . . . . 0.539 ' O ' ' N ' ' B' ' 576' ' ' ASN . 19.5 ptmt -73.07 132.38 43.27 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.392 -0.818 . . . . 0.0 109.501 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 575' ' ' ILE . . . . . . . . . . . . . 14.9 mm 58.31 -78.75 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.531 -0.73 . . . . 0.0 109.652 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 576' ' ' ASN . . . . . 0.539 ' N ' ' O ' ' B' ' 574' ' ' LYS . 43.5 t30 -65.87 155.49 36.22 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.148 -0.97 . . . . 0.0 109.539 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 577' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -74.09 31.17 0.08 Allowed 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.41 -0.806 . . . . 0.0 109.52 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 578' ' ' GLY . . . . . 0.518 ' H ' ' C ' ' B' ' 576' ' ' ASN . . . 69.28 -77.79 0.32 Allowed Glycine 0 N--CA 1.491 2.319 0 N-CA-C 109.509 -1.436 . . . . 0.0 109.509 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 579' ' ' ASN . . . . . 0.473 ' CG ' ' H ' ' B' ' 580' ' ' ASP . 13.0 t-20 54.77 -138.87 1.05 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.251 -1.146 . . . . 0.0 109.389 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 580' ' ' ASP . . . . . 0.473 ' H ' ' CG ' ' B' ' 579' ' ' ASN . 48.1 m-20 -158.08 162.95 38.09 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.173 -0.954 . . . . 0.0 109.543 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 581' ' ' ASN . . . . . . . . . . . . . 65.2 m-20 -69.8 -162.57 0.05 Allowed 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.267 -0.896 . . . . 0.0 109.468 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 582' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -171.18 -157.31 0.13 Allowed 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.286 -0.884 . . . . 0.0 109.482 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 583' ' ' ASN . . . . . . . . . . . . . 8.2 p-10 -163.54 142.43 8.07 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.164 -0.96 . . . . 0.0 109.472 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 584' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -73.47 126.96 31.41 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.219 -0.925 . . . . 0.0 109.462 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 585' ' ' ASN . . . . . . . . . . . . . 8.3 p-10 -172.07 -10.27 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.262 -0.899 . . . . 0.0 109.452 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 586' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -79.86 169.42 17.93 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.303 -0.873 . . . . 0.0 109.551 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 587' ' ' VAL . . . . . 0.401 ' CG1' ' H ' ' B' ' 588' ' ' VAL . 3.3 t 53.2 -126.66 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.306 -1.289 0 O-C-N 121.271 -0.893 . . . . 0.0 108.993 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 588' ' ' VAL . . . . . 0.424 ' O ' ' CG2' ' B' ' 588' ' ' VAL . 2.1 p -175.43 70.09 0.27 Allowed Pre-proline 0 C--N 1.284 -2.279 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 589' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_exo -62.14 127.07 20.14 Favored 'Trans proline' 0 C--N 1.316 -1.172 0 C-N-CA 121.326 1.351 . . . . 0.0 109.71 -179.63 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 590' ' ' SER . . . . . 0.443 ' OG ' ' N ' ' B' ' 591' ' ' LYS . 47.9 t -73.04 -157.46 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.24 -0.912 . . . . 0.0 109.59 -179.799 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 591' ' ' LYS . . . . . 0.443 ' N ' ' OG ' ' B' ' 590' ' ' SER . 84.1 tttt -69.16 96.09 0.8 Allowed 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.262 -0.899 . . . . 0.0 109.406 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 592' ' ' GLU . . . . . 0.504 ' N ' ' CD ' ' B' ' 592' ' ' GLU . 0.0 OUTLIER -64.88 169.2 5.41 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.217 -0.927 . . . . 0.0 109.655 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 593' ' ' GLY . . . . . . . . . . . . . . . 68.8 81.44 0.2 Allowed Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.517 -1.433 . . . . 0.0 109.517 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 594' ' ' SER . . . . . . . . . . . . . 72.3 m -90.37 166.01 13.53 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.192 -1.181 . . . . 0.0 110.151 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 595' ' ' LEU . . . . . 0.502 ' CD2' ' N ' ' B' ' 595' ' ' LEU . 3.8 mm? -96.07 123.46 39.69 Favored 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 179.815 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 596' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -128.18 157.54 40.54 Favored 'General case' 0 N--CA 1.502 2.126 0 O-C-N 121.412 -0.805 . . . . 0.0 109.241 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 597' ' ' ARG . . . . . . . . . . . . . 48.3 mtm180 -107.42 -147.84 0.41 Allowed 'General case' 0 N--CA 1.503 2.195 0 CA-C-O 121.985 0.897 . . . . 0.0 111.705 -178.046 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 598' ' ' CYS . . . . . 0.61 ' SG ' ' N ' ' B' ' 599' ' ' SER . 6.2 t -70.98 -100.33 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.858 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.011 -178.292 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 599' ' ' SER . . . . . 0.61 ' N ' ' SG ' ' B' ' 598' ' ' CYS . 95.4 p -45.34 -18.31 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.974 0 CA-C-O 122.337 1.065 . . . . 0.0 109.346 -179.335 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 600' ' ' GLU . . . . . 0.511 ' N ' ' O ' ' B' ' 598' ' ' CYS . 2.2 tm-20 -50.51 -40.44 51.44 Favored 'General case' 0 C--N 1.297 -1.711 0 CA-C-O 122.437 1.113 . . . . 0.0 108.684 179.418 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 601' ' ' ILE . . . . . 0.542 ' O ' ' N ' ' B' ' 604' ' ' ARG . 1.1 mp -68.53 -38.23 78.85 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.132 0 C-N-CA 119.949 -0.7 . . . . 0.0 109.184 -177.27 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 602' ' ' TRP . . . . . 0.419 ' C ' ' O ' ' B' ' 601' ' ' ILE . 0.0 OUTLIER -44.73 -38.63 4.56 Favored 'General case' 0 N--CA 1.496 1.829 0 N-CA-C 107.366 -1.346 . . . . 0.0 107.366 -179.77 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 603' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -66.57 -42.75 86.57 Favored 'General case' 0 N--CA 1.486 1.363 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 177.528 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 604' ' ' ARG . . . . . 0.542 ' N ' ' O ' ' B' ' 601' ' ' ILE . 20.8 mmm180 -57.53 -34.65 69.35 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.385 -0.822 . . . . 0.0 109.371 179.129 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 605' ' ' ILE . . . . . . . . . . . . . 82.1 mt -83.29 -46.75 18.55 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.87 0 O-C-N 121.581 -0.7 . . . . 0.0 111.128 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 606' ' ' THR . . . . . 0.566 ' C ' ' H ' ' B' ' 608' ' ' HIS . 57.7 p -61.52 -46.13 91.26 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.476 -1.39 . . . . 0.0 110.393 -178.727 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 607' ' ' THR . . . . . 0.51 ' C ' ' HD1' ' B' ' 608' ' ' HIS . 66.6 p -65.11 23.18 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.914 -1.116 . . . . 0.0 111.156 -178.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 608' ' ' HIS . . . . . 0.566 ' H ' ' C ' ' B' ' 606' ' ' THR . 2.9 m80 -124.81 77.63 65.19 Favored Pre-proline 0 N--CA 1.503 2.192 0 O-C-N 121.109 -0.994 . . . . 0.0 110.388 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 609' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_exo -57.04 -2.98 0.58 Allowed 'Trans proline' 0 C--N 1.322 -0.831 0 C-N-CA 121.7 1.6 . . . . 0.0 109.645 178.59 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 610' ' ' LYS . . . . . 0.533 ' H ' ' C ' ' B' ' 608' ' ' HIS . 24.3 mmtp -101.27 50.74 0.86 Allowed 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.404 -0.81 . . . . 0.0 109.381 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 611' ' ' TYR . . . . . 0.427 ' O ' ' O ' ' B' ' 610' ' ' LYS . 0.2 OUTLIER -54.32 -175.11 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 107.719 -1.215 . . . . 0.0 107.719 179.297 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 612' ' ' SER . . . . . . . . . . . . . 1.5 m 170.62 58.64 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.232 -0.918 . . . . 0.0 108.93 179.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 613' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 47.67 70.11 0.46 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.993 -1.067 . . . . 0.0 109.671 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 614' ' ' ILE . . . . . 0.439 HD12 HG21 ' B' ' 614' ' ' ILE . 5.9 mm -68.22 -133.88 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.156 -0.965 . . . . 0.0 109.202 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 615' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -170.26 94.48 0.23 Allowed 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 107.252 -1.388 . . . . 0.0 107.252 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 616' ' ' VAL . . . . . . . . . . . . . 14.4 t -80.8 -29.28 11.57 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.58 0 O-C-N 121.436 -0.79 . . . . 0.0 109.795 -179.205 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 617' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -65.78 -53.34 41.71 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.138 -0.976 . . . . 0.0 110.982 -178.592 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 618' ' ' GLY . . . . . . . . . . . . . . . -66.92 -40.08 93.44 Favored Glycine 0 N--CA 1.493 2.451 0 N-CA-C 109.546 -1.422 . . . . 0.0 109.546 -179.527 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 619' ' ' LEU . . . . . 0.42 ' C ' ' CD2' ' B' ' 619' ' ' LEU . 0.3 OUTLIER -63.13 -18.08 63.04 Favored 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 107.867 -1.16 . . . . 0.0 107.867 179.431 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 620' ' ' CYS . . . . . 0.468 ' O ' ' CG ' ' B' ' 624' ' ' MET . 10.8 t -74.13 -48.57 28.59 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.114 -0.991 . . . . 0.0 110.949 -179.511 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 21.3 t -82.75 -2.5 54.53 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 120.755 -1.215 . . . . 0.0 109.931 -179.418 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 622' ' ' GLU . . . . . 0.508 ' OE2' ' NE2' ' B' ' 648' ' ' HIS . 84.9 mt-10 -101.87 -42.4 6.16 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.234 -0.916 . . . . 0.0 109.806 178.539 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 623' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -86.36 -24.32 25.86 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 120.646 -1.284 . . . . 0.0 110.114 -179.456 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 624' ' ' MET . . . . . 0.468 ' CG ' ' O ' ' B' ' 620' ' ' CYS . 3.2 ppp? -76.1 -24.67 55.01 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.782 -1.199 . . . . 0.0 111.943 -177.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 625' ' ' ALA . . . . . . . . . . . . . . . -102.6 -26.41 13.22 Favored 'General case' 0 N--CA 1.505 2.294 0 O-C-N 120.61 -1.306 . . . . 0.0 108.972 179.535 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 626' ' ' LYS . . . . . . . . . . . . . 64.4 mttm -71.73 -9.22 57.96 Favored 'General case' 0 C--N 1.296 -1.724 0 N-CA-C 105.742 -1.947 . . . . 0.0 105.742 176.333 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 627' ' ' ALA . . . . . . . . . . . . . . . -44.56 134.3 5.39 Favored 'General case' 0 N--CA 1.49 1.552 0 CA-C-N 115.008 -0.996 . . . . 0.0 111.481 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 628' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? -98.8 87.89 3.88 Favored 'General case' 0 N--CA 1.493 1.684 0 N-CA-C 107.419 -1.326 . . . . 0.0 107.419 178.033 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 629' ' ' CYS . . . . . . . . . . . . . 49.5 t -57.21 130.35 45.79 Favored 'General case' 0 N--CA 1.491 1.603 0 CA-C-O 122.44 1.114 . . . . 0.0 111.698 -177.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 630' ' ' SER . . . . . . . . . . . . . 5.1 t -142.45 162.69 34.82 Favored 'General case' 0 N--CA 1.493 1.71 0 N-CA-C 107.453 -1.314 . . . . 0.0 107.453 178.715 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 631' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -66.41 -26.46 67.25 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.311 -1.493 . . . . 0.0 109.227 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 65.3 ttt180 -77.72 -16.23 58.59 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 108.226 -1.027 . . . . 0.0 108.226 178.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 633' ' ' GLY . . . . . . . . . . . . . . . 132.67 -176.32 19.52 Favored Glycine 0 N--CA 1.497 2.725 0 N-CA-C 108.564 -1.814 . . . . 0.0 108.564 -179.667 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 634' ' ' VAL . . . . . . . . . . . . . 33.0 m -78.52 161.62 4.25 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.391 0 O-C-N 120.774 -1.427 . . . . 0.0 109.816 179.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 2.6 t -143.04 133.97 23.14 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.005 0 N-CA-C 108.153 -1.055 . . . . 0.0 108.153 177.147 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 636' ' ' ILE . . . . . 0.436 HD11 HG21 ' B' ' 636' ' ' ILE . 17.4 mm -110.45 136.86 45.15 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.955 0 O-C-N 121.686 -0.634 . . . . 0.0 110.303 -178.355 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 637' ' ' ASN . . . . . 0.519 ' O ' ' N ' ' B' ' 639' ' ' GLU . 36.0 t-20 -89.04 133.67 34.27 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.956 -1.09 . . . . 0.0 108.208 178.294 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -46.21 -12.57 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.48 -0.762 . . . . 0.0 111.1 -178.425 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 639' ' ' GLU . . . . . 0.519 ' N ' ' O ' ' B' ' 637' ' ' ASN . 17.5 tp10 -82.14 -21.44 36.61 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.932 -1.105 . . . . 0.0 110.945 -179.093 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 640' ' ' ASP . . . . . 0.407 ' O ' ' N ' ' B' ' 644' ' ' ALA . 18.7 m-20 -86.83 -45.82 10.52 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 120.357 -1.464 . . . . 0.0 108.752 178.362 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 641' ' ' VAL . . . . . 0.486 ' CG1' ' N ' ' B' ' 642' ' ' GLN . 13.2 p -64.24 -51.93 62.28 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.588 0 O-C-N 120.763 -1.21 . . . . 0.0 108.268 178.249 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 642' ' ' GLN . . . . . 0.486 ' N ' ' CG1' ' B' ' 641' ' ' VAL . 10.8 tm0? -54.85 -33.77 62.14 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.114 -0.991 . . . . 0.0 109.017 179.708 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 643' ' ' LEU . . . . . . . . . . . . . 51.9 tp -84.37 -26.37 28.44 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.307 -0.87 . . . . 0.0 109.175 179.405 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 644' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' B' ' 640' ' ' ASP . . . -87.12 -30.09 21.35 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.817 -1.177 . . . . 0.0 109.381 179.012 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 645' ' ' LEU . . . . . . . . . . . . . 36.2 mt -87.19 -22.52 25.23 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 120.845 -1.16 . . . . 0.0 109.685 179.412 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 646' ' ' ASN . . . . . . . . . . . . . 18.6 t30 -91.45 -11.29 38.04 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 120.78 -1.2 . . . . 0.0 110.368 -179.523 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 647' ' ' LYS . . . . . . . . . . . . . 30.4 ttmt -93.41 -7.86 43.37 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 120.952 -1.092 . . . . 0.0 109.484 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 648' ' ' HIS . . . . . 0.508 ' NE2' ' OE2' ' B' ' 622' ' ' GLU . 7.3 m-70 -112.55 17.56 19.12 Favored 'General case' 0 N--CA 1.5 2.075 0 O-C-N 121.278 -0.889 . . . . 0.0 109.91 -179.819 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 649' ' ' MET . . . . . . . . . . . . . 17.7 mtt -97.09 99.96 11.46 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.097 -1.002 . . . . 0.0 109.218 179.645 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 650' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 . . . . . 0 N--CA 1.49 1.554 0 CA-C-O 118.025 -0.988 . . . . 0.0 109.444 -179.976 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 279' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 280' ' ' LEU . . . . . 0.527 ' CD2' ' N ' ' A' ' 280' ' ' LEU . 3.5 mm? -69.95 71.67 0.38 Allowed 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.288 -0.882 . . . . 0.0 109.19 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 281' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -64.87 92.7 0.1 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.318 -0.864 . . . . 0.0 109.439 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 282' ' ' SER . . . . . . . . . . . . . 96.7 p -158.11 91.71 1.13 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.235 -0.915 . . . . 0.0 109.458 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 283' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -157.99 151.3 23.29 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.189 -0.944 . . . . 0.0 109.436 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 284' ' ' MET . . . . . . . . . . . . . 21.6 ptt? -64.04 146.97 53.22 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.244 -0.91 . . . . 0.0 109.509 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 285' ' ' PHE . . . . . 0.436 ' O ' ' O ' ' A' ' 286' ' ' SER . 27.6 p90 -63.67 173.02 1.85 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.198 -0.939 . . . . 0.0 109.217 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 286' ' ' SER . . . . . 0.436 ' O ' ' O ' ' A' ' 285' ' ' PHE . 36.4 t 52.48 100.1 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.265 -0.897 . . . . 0.0 109.461 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 287' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -131.79 74.19 1.57 Allowed 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.475 -0.766 . . . . 0.0 109.271 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 288' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -157.41 -27.53 0.09 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.262 -0.899 . . . . 0.0 109.332 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 289' ' ' PHE . . . . . 0.495 ' C ' ' H ' ' A' ' 291' ' ' PHE . 91.6 m-85 49.96 54.02 11.8 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.252 -0.905 . . . . 0.0 109.512 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 290' ' ' ASN . . . . . . . . . . . . . 34.4 m120 -76.62 26.44 0.13 Allowed 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.275 -0.891 . . . . 0.0 109.399 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 291' ' ' PHE . . . . . 0.495 ' H ' ' C ' ' A' ' 289' ' ' PHE . 60.6 m-85 52.91 40.14 30.39 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.329 -0.857 . . . . 0.0 109.367 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 292' ' ' GLU . . . . . . . . . . . . . 18.5 tp10 -169.6 -22.71 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.221 -0.924 . . . . 0.0 109.379 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 293' ' ' ASN . . . . . . . . . . . . . 63.3 t30 53.63 64.69 1.75 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.276 -0.89 . . . . 0.0 109.489 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 294' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -75.48 179.93 4.96 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.272 -0.893 . . . . 0.0 109.451 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 295' ' ' PHE . . . . . 0.453 ' CE2' ' O ' ' A' ' 296' ' ' ASP . 68.0 t80 -65.48 159.46 24.36 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.214 -0.929 . . . . 0.0 109.526 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 296' ' ' ASP . . . . . 0.453 ' O ' ' CE2' ' A' ' 295' ' ' PHE . 15.0 m-20 -157.41 -115.93 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.304 -0.873 . . . . 0.0 109.49 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 297' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -171.01 133.76 0.91 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.191 -0.943 . . . . 0.0 109.39 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 298' ' ' GLN . . . . . 0.417 ' CD ' ' N ' ' A' ' 298' ' ' GLN . 19.9 mp0 -74.42 -18.07 60.7 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.327 -0.858 . . . . 0.0 109.616 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 299' ' ' VAL . . . . . . . . . . . . . 3.4 t 66.07 120.63 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.391 0 CA-C-O 122.277 1.037 . . . . 0.0 109.983 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 300' ' ' SER . . . . . 0.523 ' C ' ' N ' ' A' ' 302' ' ' PHE . 5.8 m 59.3 26.66 15.54 Favored 'General case' 0 C--N 1.295 -1.773 0 CA-C-N 114.61 -1.177 . . . . 0.0 108.42 -178.478 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 301' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 300' ' ' SER . 6.2 tp10 -46.77 -22.82 0.34 Allowed 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 106.304 -1.739 . . . . 0.0 106.304 177.036 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 302' ' ' PHE . . . . . 0.523 ' N ' ' C ' ' A' ' 300' ' ' SER . 75.5 t80 -71.66 -59.12 2.92 Favored 'General case' 0 C--N 1.305 -1.361 0 CA-C-N 114.251 -1.341 . . . . 0.0 109.791 179.014 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 303' ' ' CYS . . . . . . . . . . . . . 1.8 t -75.93 -41.28 52.21 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.253 -0.905 . . . . 0.0 109.505 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 7.1 p -52.36 -29.44 23.86 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.43 -0.794 . . . . 0.0 110.441 -179.397 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -98.71 -13.95 20.0 Favored 'General case' 0 N--CA 1.502 2.163 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 178.363 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 306' ' ' MET . . . . . . . . . . . . . 40.7 ttm -74.83 -26.48 59.74 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 120.461 -1.4 . . . . 0.0 107.272 177.085 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 307' ' ' ASN . . . . . 0.457 ' O ' ' N ' ' A' ' 310' ' ' CYS . 19.4 t-20 -80.09 -41.91 24.63 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 105.932 -1.877 . . . . 0.0 105.932 178.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 308' ' ' GLN . . . . . 0.526 ' O ' ' N ' ' A' ' 310' ' ' CYS . 44.6 tt0 -36.29 -41.04 0.25 Allowed 'General case' 0 N--CA 1.502 2.153 0 CA-C-O 121.449 0.642 . . . . 0.0 109.431 178.338 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 309' ' ' VAL . . . . . . . . . . . . . 20.0 t -46.24 -15.48 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.879 0 CA-C-O 121.686 0.755 . . . . 0.0 109.31 179.047 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 310' ' ' CYS . . . . . 0.526 ' N ' ' O ' ' A' ' 308' ' ' GLN . 33.7 m -87.61 -30.43 20.48 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.647 -0.658 . . . . 0.0 109.454 179.474 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 311' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 308' ' ' GLN . . . -54.14 116.77 6.62 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.63 -1.388 . . . . 0.0 109.63 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 312' ' ' THR . . . . . 0.429 ' O ' ' OXT' ' A' ' 313' ' ' ARG . 0.8 OUTLIER -91.65 140.37 29.79 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.193 -1.181 . . . . 0.0 109.477 179.943 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 313' ' ' ARG . . . . . 0.429 ' OXT' ' O ' ' A' ' 312' ' ' THR . 38.7 ttp180 . . . . . 0 N--CA 1.491 1.62 0 CA-C-O 117.963 -1.018 . . . . 0.0 109.49 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 565' ' ' ASN . . . . . . . . . . . . . 23.7 p30 . . . . . 0 N--CA 1.49 1.547 0 CA-C-O 121.299 0.571 . . . . 0.0 109.462 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 566' ' ' GLY . . . . . . . . . . . . . . . -65.35 -115.38 0.01 OUTLIER Glycine 0 N--CA 1.492 2.385 0 N-CA-C 109.56 -1.416 . . . . 0.0 109.56 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 567' ' ' SER . . . . . . . . . . . . . 30.9 t -171.73 10.22 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.272 -1.134 . . . . 0.0 109.508 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 568' ' ' SER . . . . . . . . . . . . . 48.4 t -79.09 -8.04 58.64 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.253 -0.904 . . . . 0.0 109.476 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 569' ' ' LEU . . . . . 0.534 ' CD2' ' N ' ' B' ' 569' ' ' LEU . 3.5 mm? -70.0 -12.58 61.72 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.278 -0.889 . . . . 0.0 109.154 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 570' ' ' GLN . . . . . . . . . . . . . 23.1 mm100 -59.64 115.53 3.39 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.204 -0.935 . . . . 0.0 109.476 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 571' ' ' ASN . . . . . . . . . . . . . 75.5 m-80 -157.68 159.81 37.32 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.322 -0.861 . . . . 0.0 109.364 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -69.97 -25.92 63.85 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.26 -0.9 . . . . 0.0 109.491 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 573' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -168.12 -162.46 0.42 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.234 -0.916 . . . . 0.0 109.412 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 574' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -65.88 -103.48 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.241 -0.912 . . . . 0.0 109.434 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 575' ' ' ILE . . . . . . . . . . . . . 77.2 mt -73.9 -74.52 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.235 -0.915 . . . . 0.0 109.442 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 576' ' ' ASN . . . . . . . . . . . . . 37.1 t30 -170.14 70.43 0.06 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.31 -0.869 . . . . 0.0 109.447 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 577' ' ' ASN . . . . . . . . . . . . . 32.8 m120 -68.07 -83.07 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.309 -0.869 . . . . 0.0 109.509 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 578' ' ' GLY . . . . . . . . . . . . . . . 67.45 19.94 71.21 Favored Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.557 -1.417 . . . . 0.0 109.557 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 579' ' ' ASN . . . . . . . . . . . . . 33.6 m120 -158.23 -70.11 0.09 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.306 -1.114 . . . . 0.0 109.483 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 580' ' ' ASP . . . . . . . . . . . . . 65.8 t0 -65.29 -112.94 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.286 -0.884 . . . . 0.0 109.454 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 581' ' ' ASN . . . . . . . . . . . . . 52.1 t30 51.77 -113.12 0.71 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.17 -0.956 . . . . 0.0 109.433 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 582' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -65.95 -168.63 0.05 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.25 -0.906 . . . . 0.0 109.566 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 583' ' ' ASN . . . . . 0.518 ' CG ' ' H ' ' B' ' 584' ' ' ASP . 8.9 t-20 -169.35 -164.1 0.44 Allowed 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.244 -0.91 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 584' ' ' ASP . . . . . 0.518 ' H ' ' CG ' ' B' ' 583' ' ' ASN . 7.8 p-10 -162.98 65.33 0.19 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.284 -0.885 . . . . 0.0 109.429 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 585' ' ' ASN . . . . . 0.411 ' O ' ' O ' ' B' ' 586' ' ' ASP . 49.7 m-20 51.81 -132.32 1.95 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.352 -0.842 . . . . 0.0 109.43 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 586' ' ' ASP . . . . . 0.411 ' O ' ' O ' ' B' ' 585' ' ' ASN . 3.9 m-20 -56.14 -167.79 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.332 -0.855 . . . . 0.0 109.267 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 587' ' ' VAL . . . . . . . . . . . . . 2.4 p -176.09 153.99 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.29 0 O-C-N 121.356 -0.84 . . . . 0.0 108.849 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 588' ' ' VAL . . . . . . . . . . . . . 4.0 m -105.82 151.66 40.01 Favored Pre-proline 0 N--CA 1.499 2.022 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 589' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -57.2 176.14 0.28 Allowed 'Trans proline' 0 C--N 1.324 -0.755 0 C-N-CA 120.983 1.122 . . . . 0.0 109.583 179.452 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 590' ' ' SER . . . . . . . . . . . . . 61.1 m -78.43 43.32 0.46 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.201 -0.937 . . . . 0.0 109.259 179.744 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 591' ' ' LYS . . . . . . . . . . . . . 17.6 ttpp -166.28 140.28 4.24 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.365 -0.834 . . . . 0.0 109.267 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 20.9 pt-20 -170.35 135.89 1.3 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.281 -0.887 . . . . 0.0 109.308 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 593' ' ' GLY . . . . . . . . . . . . . . . 148.33 36.3 0.05 OUTLIER Glycine 0 N--CA 1.493 2.475 0 N-CA-C 109.35 -1.5 . . . . 0.0 109.35 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 594' ' ' SER . . . . . . . . . . . . . 64.8 m -80.4 164.96 22.69 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.116 -1.226 . . . . 0.0 110.176 -179.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 595' ' ' LEU . . . . . 0.542 ' CD1' ' N ' ' B' ' 595' ' ' LEU . 7.3 mp -89.79 118.45 29.4 Favored 'General case' 0 C--N 1.299 -1.62 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 179.718 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 596' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -125.86 148.81 49.06 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.41 -0.806 . . . . 0.0 109.411 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 597' ' ' ARG . . . . . 0.528 ' H ' ' NE ' ' B' ' 597' ' ' ARG . 0.1 OUTLIER -73.66 -173.74 1.56 Allowed 'General case' 0 N--CA 1.494 1.77 0 CA-C-O 122.025 0.917 . . . . 0.0 110.763 -179.235 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 598' ' ' CYS . . . . . . . . . . . . . 2.5 p -71.46 -88.45 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.756 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.746 -177.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 13.5 t -43.09 -26.73 0.17 Allowed 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.452 -0.78 . . . . 0.0 110.406 -178.188 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 600' ' ' GLU . . . . . 0.478 ' OE1' ' NE ' ' B' ' 597' ' ' ARG . 77.2 mt-10 -56.29 -23.05 34.14 Favored 'General case' 0 C--N 1.302 -1.483 0 C-N-CA 118.266 -1.374 . . . . 0.0 107.854 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 601' ' ' ILE . . . . . 0.585 ' O ' ' N ' ' B' ' 604' ' ' ARG . 1.3 mp -73.0 -36.03 50.09 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.139 0 N-CA-C 106.676 -1.601 . . . . 0.0 106.676 179.322 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 602' ' ' TRP . . . . . 0.408 ' C ' ' O ' ' B' ' 601' ' ' ILE . 48.0 t-105 -46.4 -35.04 5.13 Favored 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 106.944 -1.502 . . . . 0.0 106.944 178.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 603' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -69.59 -39.46 77.29 Favored 'General case' 0 C--N 1.304 -1.396 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 177.555 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 604' ' ' ARG . . . . . 0.585 ' N ' ' O ' ' B' ' 601' ' ' ILE . 21.5 mmm180 -57.98 -28.43 64.38 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.285 -0.884 . . . . 0.0 109.457 179.095 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 605' ' ' ILE . . . . . . . . . . . . . 1.9 mp -86.18 -45.28 16.85 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.885 0 O-C-N 121.313 -0.867 . . . . 0.0 110.411 -179.224 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 606' ' ' THR . . . . . 0.409 ' C ' ' H ' ' B' ' 608' ' ' HIS . 40.4 p -52.33 -35.99 52.25 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.89 -1.131 . . . . 0.0 110.188 -178.793 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 607' ' ' THR . . . . . 0.502 ' HG1' ' CE1' ' B' ' 608' ' ' HIS . 59.1 p -76.68 16.36 0.52 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.069 -1.019 . . . . 0.0 109.971 -179.661 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 608' ' ' HIS . . . . . 0.523 ' NE2' ' O ' ' B' ' 604' ' ' ARG . 4.2 m-70 -125.24 111.03 26.49 Favored Pre-proline 0 N--CA 1.501 2.09 0 O-C-N 121.389 -0.82 . . . . 0.0 109.743 -179.596 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 609' ' ' PRO . . . . . 0.509 ' C ' ' H ' ' B' ' 611' ' ' TYR . 2.6 Cg_exo -58.2 -35.69 98.5 Favored 'Trans proline' 0 C--O 1.215 -0.669 0 C-N-CA 120.802 1.001 . . . . 0.0 109.811 179.453 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 610' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -70.8 42.65 0.07 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.105 -0.997 . . . . 0.0 108.997 179.665 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 611' ' ' TYR . . . . . 0.521 ' CG ' ' O ' ' B' ' 611' ' ' TYR . 8.8 t80 -87.15 4.34 42.74 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.397 -0.814 . . . . 0.0 109.516 -179.583 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 612' ' ' SER . . . . . . . . . . . . . 33.5 t -85.54 15.04 4.85 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.255 -0.903 . . . . 0.0 109.926 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 613' ' ' ASP . . . . . 0.577 ' C ' ' H ' ' B' ' 615' ' ' ASP . 13.1 m-20 -159.43 -104.07 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.049 -1.032 . . . . 0.0 110.111 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 614' ' ' ILE . . . . . . . . . . . . . 56.7 mt 51.4 -0.77 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.811 0 O-C-N 121.253 -0.904 . . . . 0.0 111.117 179.645 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 615' ' ' ASP . . . . . 0.577 ' H ' ' C ' ' B' ' 613' ' ' ASP . 40.3 t0 54.3 88.46 0.04 OUTLIER 'General case' 0 N--CA 1.487 1.411 0 O-C-N 120.346 -1.471 . . . . 0.0 108.986 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 616' ' ' VAL . . . . . . . . . . . . . 28.4 m -72.38 -26.47 24.52 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 O-C-N 121.277 -0.889 . . . . 0.0 108.897 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 617' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -76.32 -40.08 52.36 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.433 -0.792 . . . . 0.0 110.109 -179.5 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 618' ' ' GLY . . . . . . . . . . . . . . . -70.7 -46.24 47.77 Favored Glycine 0 N--CA 1.488 2.156 0 C-N-CA 119.607 -1.282 . . . . 0.0 110.053 -179.681 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 619' ' ' LEU . . . . . 0.459 ' CD1' ' C ' ' B' ' 619' ' ' LEU . 1.8 pp -65.46 -19.67 66.03 Favored 'General case' 0 N--CA 1.486 1.329 0 O-C-N 120.826 -1.396 . . . . 0.0 108.561 -179.774 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 620' ' ' CYS . . . . . . . . . . . . . 48.7 t -71.81 -49.24 40.35 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.453 -0.779 . . . . 0.0 109.741 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 95.0 p -76.9 -2.15 32.08 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.854 -1.154 . . . . 0.0 108.705 179.408 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 622' ' ' GLU . . . . . . . . . . . . . 54.6 tt0 -100.6 -60.11 1.58 Allowed 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 176.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 623' ' ' LEU . . . . . . . . . . . . . 4.3 tp -61.4 -32.46 72.4 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.116 -0.99 . . . . 0.0 109.879 179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 624' ' ' MET . . . . . . . . . . . . . 18.0 ttt -75.2 -28.22 59.9 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.289 -0.882 . . . . 0.0 112.408 -177.682 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 625' ' ' ALA . . . . . . . . . . . . . . . -102.64 -16.65 15.98 Favored 'General case' 0 N--CA 1.508 2.462 0 O-C-N 120.723 -1.235 . . . . 0.0 109.878 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 626' ' ' LYS . . . . . . . . . . . . . 5.8 mptp? -75.42 -4.28 38.57 Favored 'General case' 0 C--N 1.299 -1.59 0 N-CA-C 105.277 -2.12 . . . . 0.0 105.277 176.141 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 627' ' ' ALA . . . . . . . . . . . . . . . -42.56 135.28 2.85 Favored 'General case' 0 N--CA 1.492 1.64 0 CA-C-N 115.129 -0.942 . . . . 0.0 111.745 -179.478 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 628' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -107.2 91.77 3.8 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 107.549 -1.278 . . . . 0.0 107.549 178.264 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 629' ' ' CYS . . . . . . . . . . . . . 25.0 t -58.31 122.17 12.59 Favored 'General case' 0 N--CA 1.493 1.698 0 CA-C-O 122.53 1.157 . . . . 0.0 111.799 -177.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 630' ' ' SER . . . . . 0.436 ' HG ' ' N ' ' B' ' 631' ' ' GLU . 46.9 t -142.91 160.94 39.39 Favored 'General case' 0 N--CA 1.495 1.784 0 N-CA-C 107.515 -1.291 . . . . 0.0 107.515 178.446 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 631' ' ' GLU . . . . . 0.561 ' C ' ' H ' ' B' ' 633' ' ' GLY . 10.4 mm-40 -64.98 -21.08 66.79 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.28 -1.513 . . . . 0.0 109.243 -179.737 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 21.3 mmm180 -79.58 33.44 0.25 Allowed 'General case' 0 N--CA 1.493 1.684 0 N-CA-C 107.181 -1.415 . . . . 0.0 107.181 177.651 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 633' ' ' GLY . . . . . 0.561 ' H ' ' C ' ' B' ' 631' ' ' GLU . . . 72.62 -168.1 53.2 Favored Glycine 0 N--CA 1.491 2.311 0 N-CA-C 107.294 -2.322 . . . . 0.0 107.294 -178.256 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 634' ' ' VAL . . . . . . . . . . . . . 7.9 p -78.59 148.82 5.93 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.407 0 O-C-N 120.239 -1.742 . . . . 0.0 109.523 179.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 33.3 m -139.66 138.26 39.28 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.922 0 O-C-N 121.107 -0.996 . . . . 0.0 108.524 178.334 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 636' ' ' ILE . . . . . . . . . . . . . 22.1 mm -114.57 137.15 48.9 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.902 0 O-C-N 121.669 -0.644 . . . . 0.0 109.515 -179.259 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 637' ' ' ASN . . . . . 0.509 ' O ' ' N ' ' B' ' 639' ' ' GLU . 9.4 m-80 -83.54 133.02 34.89 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.745 -1.222 . . . . 0.0 107.93 178.466 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -45.76 -14.92 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.512 -0.742 . . . . 0.0 110.846 -177.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 639' ' ' GLU . . . . . 0.509 ' N ' ' O ' ' B' ' 637' ' ' ASN . 66.4 mt-10 -84.14 -21.98 31.2 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.031 -1.043 . . . . 0.0 111.14 -178.855 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 640' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -84.12 -42.23 16.26 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 120.268 -1.52 . . . . 0.0 108.135 178.559 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 641' ' ' VAL . . . . . 0.425 ' CG1' ' N ' ' B' ' 642' ' ' GLN . 7.4 p -61.88 -51.43 72.7 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.544 0 N-CA-C 107.823 -1.177 . . . . 0.0 107.823 177.19 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 642' ' ' GLN . . . . . 0.425 ' N ' ' CG1' ' B' ' 641' ' ' VAL . 76.0 mt-30 -52.37 -33.98 45.62 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.082 -1.011 . . . . 0.0 109.647 179.718 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 643' ' ' LEU . . . . . . . . . . . . . 19.2 mt -81.13 -25.99 36.47 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.141 -0.974 . . . . 0.0 109.357 179.347 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 644' ' ' ALA . . . . . . . . . . . . . . . -87.47 -28.91 21.78 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.493 -1.379 . . . . 0.0 109.643 179.255 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 645' ' ' LEU . . . . . 0.475 ' O ' ' N ' ' B' ' 647' ' ' LYS . 41.9 mt -89.07 -69.31 0.72 Allowed 'General case' 0 N--CA 1.498 1.93 0 O-C-N 120.645 -1.284 . . . . 0.0 109.947 179.644 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 646' ' ' ASN . . . . . . . . . . . . . 65.9 m-20 -47.16 -15.54 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.287 -0.883 . . . . 0.0 110.392 -178.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 647' ' ' LYS . . . . . 0.663 ' HZ1' ' CE1' ' B' ' 648' ' ' HIS . 30.4 tttm -89.53 163.31 15.27 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.052 -1.03 . . . . 0.0 110.013 -179.486 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 648' ' ' HIS . . . . . 0.663 ' CE1' ' HZ1' ' B' ' 647' ' ' LYS . 17.8 m-70 65.69 27.81 11.23 Favored 'General case' 0 N--CA 1.493 1.692 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 -179.579 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 649' ' ' MET . . . . . . . . . . . . . 7.2 mmt -95.76 136.75 35.76 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.239 -0.913 . . . . 0.0 109.431 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 650' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 . . . . . 0 N--CA 1.49 1.566 0 CA-C-O 118.006 -0.997 . . . . 0.0 109.392 -179.922 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 279' ' ' ASN . . . . . . . . . . . . . 29.2 m120 . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.06 4.21 31.12 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.203 -0.936 . . . . 0.0 109.079 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 281' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -157.29 44.98 0.37 Allowed 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.245 -0.909 . . . . 0.0 109.393 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 282' ' ' SER . . . . . 0.514 ' HG ' ' H ' ' A' ' 284' ' ' MET . 8.8 t -177.45 -44.38 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.317 -0.864 . . . . 0.0 109.397 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 283' ' ' ASN . . . . . . . . . . . . . 7.5 m120 56.83 11.79 1.01 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.424 -0.798 . . . . 0.0 109.362 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 284' ' ' MET . . . . . 0.514 ' H ' ' HG ' ' A' ' 282' ' ' SER . 66.4 mtm -153.28 171.37 18.66 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.206 -0.934 . . . . 0.0 109.252 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 285' ' ' PHE . . . . . 0.473 ' C ' ' H ' ' A' ' 287' ' ' ASN . 98.5 m-85 -58.69 171.45 0.64 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.288 -0.882 . . . . 0.0 109.505 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 286' ' ' SER . . . . . . . . . . . . . 48.8 m -62.33 -2.16 0.94 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.186 -0.946 . . . . 0.0 109.359 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 287' ' ' ASN . . . . . 0.473 ' H ' ' C ' ' A' ' 285' ' ' PHE . 27.5 m120 -61.41 164.94 5.12 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.335 -0.853 . . . . 0.0 109.596 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 288' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -170.1 37.88 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.248 -0.907 . . . . 0.0 109.489 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 289' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 52.88 20.75 1.73 Allowed 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.198 -0.939 . . . . 0.0 109.429 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 290' ' ' ASN . . . . . 0.528 ' O ' ' N ' ' A' ' 292' ' ' GLU . 51.9 t-20 -76.16 -37.57 57.76 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.24 -0.912 . . . . 0.0 109.437 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 291' ' ' PHE . . . . . . . . . . . . . 25.7 t80 65.21 -42.08 0.32 Allowed 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.766 -0.584 . . . . 0.0 109.902 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 292' ' ' GLU . . . . . 0.528 ' N ' ' O ' ' A' ' 290' ' ' ASN . 67.8 mt-10 -58.07 -65.37 0.66 Allowed 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.033 -1.042 . . . . 0.0 109.645 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 293' ' ' ASN . . . . . 0.478 ' ND2' ' ND2' ' A' ' 290' ' ' ASN . 70.1 m-20 -75.94 -178.09 4.17 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.191 -0.943 . . . . 0.0 109.616 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 294' ' ' GLN . . . . . 0.425 ' O ' ' OE1' ' A' ' 294' ' ' GLN . 1.2 pp0? -163.64 48.42 0.13 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.349 -0.844 . . . . 0.0 109.385 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 295' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -48.96 -62.58 1.45 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.268 -0.895 . . . . 0.0 109.549 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . 16.4 t70 55.98 50.53 13.66 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.293 -0.879 . . . . 0.0 109.556 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 297' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 53.02 72.19 0.44 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.27 -0.894 . . . . 0.0 109.564 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 298' ' ' GLN . . . . . . . . . . . . . 13.5 tm0? -89.06 -27.37 20.85 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.298 -0.876 . . . . 0.0 109.34 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 299' ' ' VAL . . . . . . . . . . . . . 12.9 t -89.66 -117.06 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.289 -0.882 . . . . 0.0 109.61 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 300' ' ' SER . . . . . 0.522 ' C ' ' N ' ' A' ' 302' ' ' PHE . 11.5 m 53.02 21.48 2.08 Favored 'General case' 0 C--N 1.294 -1.842 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 -177.217 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 301' ' ' GLU . . . . . 0.458 ' C ' ' O ' ' A' ' 300' ' ' SER . 6.5 pt-20 -43.16 -27.27 0.21 Allowed 'General case' 0 N--CA 1.497 1.891 0 N-CA-C 106.59 -1.633 . . . . 0.0 106.59 178.411 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 302' ' ' PHE . . . . . 0.522 ' N ' ' C ' ' A' ' 300' ' ' SER . 81.3 t80 -70.34 -64.53 0.88 Allowed 'General case' 0 C--N 1.298 -1.641 0 CA-C-N 113.658 -1.61 . . . . 0.0 109.192 178.427 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 303' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -68.48 -48.6 64.03 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.335 -0.853 . . . . 0.0 109.041 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 304' ' ' SER . . . . . 0.473 ' N ' ' O ' ' A' ' 300' ' ' SER . 18.9 m -48.68 -22.47 0.79 Allowed 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.432 -0.792 . . . . 0.0 110.668 -179.567 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . 62.7 mmtt -101.74 -14.41 17.35 Favored 'General case' 0 N--CA 1.505 2.313 0 O-C-N 120.948 -1.095 . . . . 0.0 109.09 178.412 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 306' ' ' MET . . . . . . . . . . . . . 9.9 mmm -74.25 -24.28 59.27 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 120.438 -1.414 . . . . 0.0 107.343 177.071 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 307' ' ' ASN . . . . . 0.459 ' O ' ' N ' ' A' ' 310' ' ' CYS . 50.7 t-20 -86.37 -41.04 14.82 Favored 'General case' 0 N--CA 1.493 1.717 0 N-CA-C 106.184 -1.784 . . . . 0.0 106.184 178.31 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 308' ' ' GLN . . . . . 0.531 ' O ' ' N ' ' A' ' 310' ' ' CYS . 9.3 tp-100 -35.57 -39.6 0.14 Allowed 'General case' 0 N--CA 1.504 2.241 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.372 178.819 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 309' ' ' VAL . . . . . . . . . . . . . 4.0 t -46.33 -15.18 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.91 0 C-N-CA 119.819 -0.752 . . . . 0.0 109.364 178.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 310' ' ' CYS . . . . . 0.531 ' N ' ' O ' ' A' ' 308' ' ' GLN . 6.7 m -88.18 -38.76 15.05 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.5 -0.75 . . . . 0.0 109.313 179.388 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 311' ' ' GLY . . . . . . . . . . . . . . . -81.68 116.93 4.31 Favored Glycine 0 N--CA 1.492 2.411 0 N-CA-C 109.578 -1.409 . . . . 0.0 109.578 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 312' ' ' THR . . . . . . . . . . . . . 1.3 t -115.89 145.8 42.58 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.568 -0.96 . . . . 0.0 109.421 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 313' ' ' ARG . . . . . 0.534 HH11 ' CG ' ' A' ' 313' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.597 0 CA-C-O 117.998 -1.001 . . . . 0.0 109.308 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 565' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 566' ' ' GLY . . . . . . . . . . . . . . . -177.62 -29.72 0.04 OUTLIER Glycine 0 N--CA 1.489 2.199 0 N-CA-C 109.493 -1.443 . . . . 0.0 109.493 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 567' ' ' SER . . . . . . . . . . . . . 87.1 p -59.89 98.9 0.06 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.305 -1.115 . . . . 0.0 109.445 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 568' ' ' SER . . . . . . . . . . . . . 53.5 m -67.82 -66.51 0.55 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.225 -0.922 . . . . 0.0 109.483 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 569' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -169.87 -42.33 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.294 -0.878 . . . . 0.0 109.058 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 570' ' ' GLN . . . . . . . . . . . . . 21.3 pt20 -47.9 148.47 1.63 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.232 -0.917 . . . . 0.0 109.623 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 571' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -171.31 -26.68 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.178 -0.951 . . . . 0.0 109.538 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -170.66 -52.87 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.242 -0.911 . . . . 0.0 109.452 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 573' ' ' ASP . . . . . 0.422 ' O ' ' O ' ' B' ' 574' ' ' LYS . 38.8 t70 -169.32 30.96 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.283 -0.886 . . . . 0.0 109.477 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 574' ' ' LYS . . . . . 0.422 ' O ' ' O ' ' B' ' 573' ' ' ASP . 46.7 mttp 55.34 169.65 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.281 -0.887 . . . . 0.0 109.523 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 575' ' ' ILE . . . . . 0.425 ' O ' ' O ' ' B' ' 576' ' ' ASN . 19.8 pt -80.22 13.65 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 O-C-N 121.269 -0.894 . . . . 0.0 109.383 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 576' ' ' ASN . . . . . 0.425 ' O ' ' O ' ' B' ' 575' ' ' ILE . 9.1 t-20 57.78 160.45 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.348 -0.845 . . . . 0.0 109.579 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 577' ' ' ASN . . . . . 0.482 ' C ' ' H ' ' B' ' 579' ' ' ASN . 31.0 m120 -81.93 -20.37 38.81 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.283 -0.886 . . . . 0.0 109.332 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 578' ' ' GLY . . . . . . . . . . . . . . . 75.18 -35.78 1.1 Allowed Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.647 -1.381 . . . . 0.0 109.647 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 579' ' ' ASN . . . . . 0.482 ' H ' ' C ' ' B' ' 577' ' ' ASN . 13.5 m-80 -66.99 171.84 5.08 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.199 -1.177 . . . . 0.0 109.385 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 580' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -67.92 103.48 1.48 Allowed 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.235 -0.916 . . . . 0.0 109.322 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 581' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -75.31 -43.51 50.59 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.27 -0.894 . . . . 0.0 109.417 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 582' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -65.18 147.01 54.22 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.317 -0.865 . . . . 0.0 109.394 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 583' ' ' ASN . . . . . . . . . . . . . 19.1 p30 -75.09 125.43 28.92 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.269 -0.895 . . . . 0.0 109.393 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 584' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -78.46 4.47 13.11 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.265 -0.897 . . . . 0.0 109.567 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 585' ' ' ASN . . . . . 0.431 ' O ' ' N ' ' B' ' 587' ' ' VAL . 52.8 t-20 -67.39 -66.17 0.59 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.221 -0.924 . . . . 0.0 109.564 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 586' ' ' ASP . . . . . 0.41 ' OD1' ' N ' ' B' ' 586' ' ' ASP . 0.7 OUTLIER -68.22 58.6 0.08 Allowed 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.174 -0.954 . . . . 0.0 109.483 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 587' ' ' VAL . . . . . 0.431 ' N ' ' O ' ' B' ' 585' ' ' ASN . 4.0 p -78.41 -15.45 13.85 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 CA-C-O 122.376 1.084 . . . . 0.0 109.171 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 588' ' ' VAL . . . . . . . . . . . . . 7.2 p -151.83 70.02 7.86 Favored Pre-proline 0 C--N 1.283 -2.301 0 CA-C-N 115.147 -0.933 . . . . 0.0 109.316 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 589' ' ' PRO . . . . . 0.414 ' O ' ' OG ' ' B' ' 590' ' ' SER . 3.3 Cg_exo -62.79 178.3 1.05 Allowed 'Trans proline' 0 C--N 1.319 -1.019 0 C-N-CA 121.442 1.428 . . . . 0.0 109.764 -179.56 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 590' ' ' SER . . . . . 0.414 ' OG ' ' O ' ' B' ' 589' ' ' PRO . 23.9 p 53.46 36.12 22.36 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.233 -0.917 . . . . 0.0 109.205 -179.85 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 591' ' ' LYS . . . . . . . . . . . . . 58.1 pttt -65.63 167.08 9.6 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.327 -0.858 . . . . 0.0 109.271 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -69.95 -161.36 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.263 -0.898 . . . . 0.0 109.404 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 593' ' ' GLY . . . . . . . . . . . . . . . -150.79 112.33 0.54 Allowed Glycine 0 N--CA 1.493 2.442 0 N-CA-C 109.054 -1.618 . . . . 0.0 109.054 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 594' ' ' SER . . . . . . . . . . . . . 45.7 m -81.41 159.45 24.3 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.21 -1.171 . . . . 0.0 110.188 -179.452 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 595' ' ' LEU . . . . . 0.49 ' CD1' ' N ' ' B' ' 595' ' ' LEU . 8.7 mp -73.6 121.65 21.01 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 108.085 -1.08 . . . . 0.0 108.085 179.078 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 596' ' ' LEU . . . . . 0.514 ' O ' ' N ' ' B' ' 636' ' ' ILE . 9.7 mt -127.96 144.27 51.1 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.416 -0.803 . . . . 0.0 109.357 -178.611 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 597' ' ' ARG . . . . . . . . . . . . . 46.4 mtm180 -87.07 -146.17 0.13 Allowed 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.195 -0.94 . . . . 0.0 110.769 -179.036 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 598' ' ' CYS . . . . . 0.664 ' SG ' ' N ' ' B' ' 599' ' ' SER . 0.0 OUTLIER -90.88 -72.73 0.56 Allowed 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.355 -0.841 . . . . 0.0 109.929 -178.606 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 599' ' ' SER . . . . . 0.664 ' N ' ' SG ' ' B' ' 598' ' ' CYS . 39.7 t -52.9 -27.61 19.46 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.579 -1.326 . . . . 0.0 107.909 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 600' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -46.83 -39.76 12.54 Favored 'General case' 0 C--N 1.3 -1.549 0 CA-C-O 122.332 1.063 . . . . 0.0 108.75 179.232 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 601' ' ' ILE . . . . . 0.605 ' O ' ' N ' ' B' ' 604' ' ' ARG . 1.5 mp -70.19 -33.16 53.5 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.189 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 -178.302 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 602' ' ' TRP . . . . . 0.434 ' N ' ' O ' ' B' ' 599' ' ' SER . 58.9 t-105 -44.13 -38.83 3.89 Favored 'General case' 0 N--CA 1.494 1.77 0 N-CA-C 107.582 -1.266 . . . . 0.0 107.582 179.399 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 603' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -68.69 -41.44 79.19 Favored 'General case' 0 C--N 1.303 -1.413 0 N-CA-C 107.563 -1.273 . . . . 0.0 107.563 177.211 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 604' ' ' ARG . . . . . 0.605 ' N ' ' O ' ' B' ' 601' ' ' ILE . 3.8 mmp_? -58.62 -21.56 53.92 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.424 -0.798 . . . . 0.0 109.532 178.824 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 605' ' ' ILE . . . . . . . . . . . . . 20.9 mm -88.35 -49.21 14.51 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.129 0 O-C-N 121.287 -0.883 . . . . 0.0 110.738 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 606' ' ' THR . . . . . . . . . . . . . 63.8 p -48.12 -40.82 24.75 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.199 -0.938 . . . . 0.0 110.89 -178.375 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 607' ' ' THR . . . . . 0.451 ' CG2' ' N ' ' B' ' 608' ' ' HIS . 8.9 t -49.81 -47.96 51.01 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.081 -1.012 . . . . 0.0 109.726 -179.602 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 608' ' ' HIS . . . . . 0.451 ' N ' ' CG2' ' B' ' 607' ' ' THR . 80.5 m80 -59.36 115.04 10.79 Favored Pre-proline 0 N--CA 1.491 1.608 0 O-C-N 121.161 -0.962 . . . . 0.0 109.13 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 609' ' ' PRO . . . . . 0.511 ' O ' ' N ' ' B' ' 611' ' ' TYR . 2.0 Cg_endo -62.01 -62.31 0.13 Allowed 'Trans proline' 0 CA--C 1.537 0.671 0 N-CA-C 109.706 -0.921 . . . . 0.0 109.706 -179.675 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 610' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -67.05 62.69 0.05 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.366 -0.834 . . . . 0.0 109.349 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 611' ' ' TYR . . . . . 0.611 ' CG ' ' O ' ' B' ' 611' ' ' TYR . 3.3 t80 -81.96 44.43 0.84 Allowed 'General case' 0 N--CA 1.492 1.642 0 CA-C-O 121.838 0.828 . . . . 0.0 109.121 -179.612 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 612' ' ' SER . . . . . . . . . . . . . 96.5 p -128.48 23.86 5.87 Favored 'General case' 0 N--CA 1.502 2.174 0 O-C-N 121.067 -1.021 . . . . 0.0 109.967 -179.482 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 613' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -172.38 78.92 0.05 Allowed 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.217 -0.927 . . . . 0.0 109.45 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 614' ' ' ILE . . . . . 0.489 ' O ' ' CG2' ' B' ' 614' ' ' ILE . 38.5 mt -142.26 5.3 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.941 0 O-C-N 121.161 -0.962 . . . . 0.0 109.029 -179.463 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 615' ' ' ASP . . . . . . . . . . . . . 12.4 t70 59.1 86.56 0.09 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 120.583 -1.323 . . . . 0.0 108.202 -179.699 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 616' ' ' VAL . . . . . . . . . . . . . 4.3 p -81.03 -22.34 10.87 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 O-C-N 121.547 -0.721 . . . . 0.0 109.694 -179.567 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 617' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -70.6 -43.71 68.79 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.283 -0.886 . . . . 0.0 110.328 -179.624 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 618' ' ' GLY . . . . . . . . . . . . . . . -70.03 -52.36 19.16 Favored Glycine 0 N--CA 1.491 2.353 0 N-CA-C 109.862 -1.295 . . . . 0.0 109.862 -179.59 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 619' ' ' LEU . . . . . 0.461 ' CD1' ' C ' ' B' ' 619' ' ' LEU . 0.7 OUTLIER -56.56 -19.26 14.95 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.185 -1.185 . . . . 0.0 108.899 -179.923 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 620' ' ' CYS . . . . . . . . . . . . . 41.8 t -74.08 -45.24 50.5 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.072 -1.018 . . . . 0.0 110.228 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 16.9 m -79.56 -0.17 32.36 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 120.822 -1.174 . . . . 0.0 109.24 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 622' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 -90.19 -43.84 10.15 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.43 -0.794 . . . . 0.0 109.779 177.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 623' ' ' LEU . . . . . . . . . . . . . 9.4 mp -85.99 -21.97 27.55 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 120.914 -1.116 . . . . 0.0 110.097 -179.281 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 624' ' ' MET . . . . . . . . . . . . . 15.0 ttt -61.04 -34.88 75.57 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.068 -1.02 . . . . 0.0 111.478 -178.598 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 625' ' ' ALA . . . . . 0.475 ' C ' ' N ' ' B' ' 627' ' ' ALA . . . -105.29 -33.61 8.15 Favored 'General case' 0 N--CA 1.505 2.318 0 O-C-N 120.888 -1.132 . . . . 0.0 110.081 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 626' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -61.24 -11.28 8.86 Favored 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 106.059 -1.83 . . . . 0.0 106.059 177.134 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 627' ' ' ALA . . . . . 0.475 ' N ' ' C ' ' B' ' 625' ' ' ALA . . . -47.35 134.15 11.83 Favored 'General case' 0 N--CA 1.493 1.68 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.459 -179.8 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 628' ' ' LYS . . . . . . . . . . . . . 56.0 mttm -105.41 91.33 3.73 Favored 'General case' 0 N--CA 1.494 1.769 0 N-CA-C 107.224 -1.398 . . . . 0.0 107.224 177.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 629' ' ' CYS . . . . . . . . . . . . . 46.9 t -59.85 137.87 57.95 Favored 'General case' 0 N--CA 1.491 1.607 0 CA-C-O 122.418 1.104 . . . . 0.0 112.345 -177.454 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 630' ' ' SER . . . . . . . . . . . . . 2.0 t -141.68 163.54 32.63 Favored 'General case' 0 N--CA 1.494 1.732 0 N-CA-C 107.197 -1.409 . . . . 0.0 107.197 178.258 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 631' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -70.02 -34.87 73.84 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.329 -1.482 . . . . 0.0 110.486 -178.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 73.8 mtm180 -70.79 -16.93 62.78 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.759 -1.213 . . . . 0.0 108.77 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 633' ' ' GLY . . . . . . . . . . . . . . . 141.91 -179.2 20.09 Favored Glycine 0 N--CA 1.495 2.595 0 N-CA-C 108.629 -1.788 . . . . 0.0 108.629 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 634' ' ' VAL . . . . . . . . . . . . . 7.5 p -78.62 160.92 4.41 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.366 0 O-C-N 120.651 -1.5 . . . . 0.0 110.102 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 26.9 m -151.09 143.11 16.67 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 N-CA-C 108.161 -1.051 . . . . 0.0 108.161 178.059 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 636' ' ' ILE . . . . . 0.514 ' N ' ' O ' ' B' ' 596' ' ' LEU . 95.3 mt -133.68 145.17 33.94 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.985 0 O-C-N 121.419 -0.801 . . . . 0.0 110.036 -178.717 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 637' ' ' ASN . . . . . 0.518 ' O ' ' N ' ' B' ' 639' ' ' GLU . 6.6 m-20 -86.43 132.89 33.83 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.28 -0.887 . . . . 0.0 109.67 179.67 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -46.41 -11.81 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.806 -0.559 . . . . 0.0 110.642 -179.616 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 639' ' ' GLU . . . . . 0.518 ' N ' ' O ' ' B' ' 637' ' ' ASN . 52.0 mm-40 -80.71 -20.36 43.01 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.681 -1.262 . . . . 0.0 109.632 179.706 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 640' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -88.19 -25.64 22.81 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 120.611 -1.306 . . . . 0.0 108.372 177.626 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 641' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -87.91 -33.73 6.8 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.778 0 O-C-N 121.269 -0.894 . . . . 0.0 108.877 179.01 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 642' ' ' GLN . . . . . . . . . . . . . 44.3 mm-40 -69.98 -33.0 71.5 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.234 -0.916 . . . . 0.0 108.623 179.147 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 643' ' ' LEU . . . . . . . . . . . . . 58.5 mt -85.93 -18.68 32.02 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.264 -0.897 . . . . 0.0 108.953 178.541 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 644' ' ' ALA . . . . . . . . . . . . . . . -87.14 -32.29 19.95 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.771 -1.205 . . . . 0.0 108.669 178.039 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 645' ' ' LEU . . . . . . . . . . . . . 14.1 mt -86.37 -25.65 25.24 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.284 -0.885 . . . . 0.0 109.526 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 646' ' ' ASN . . . . . . . . . . . . . 57.0 t-20 -90.05 -11.79 40.39 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.006 -1.059 . . . . 0.0 109.389 179.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 647' ' ' LYS . . . . . . . . . . . . . 42.3 tttm -86.89 -10.43 53.35 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.262 -0.899 . . . . 0.0 109.694 -179.681 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 648' ' ' HIS . . . . . . . . . . . . . 67.0 m-70 -111.2 22.18 15.49 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.352 -0.843 . . . . 0.0 109.535 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 649' ' ' MET . . . . . . . . . . . . . 15.1 mmt -96.46 103.39 15.3 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.193 -0.942 . . . . 0.0 109.428 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 650' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 . . . . . 0 N--CA 1.49 1.547 0 CA-C-O 117.989 -1.005 . . . . 0.0 109.524 179.992 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 279' ' ' ASN . . . . . . . . . . . . . 19.2 m120 . . . . . 0 N--CA 1.491 1.588 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 280' ' ' LEU . . . . . 0.533 ' CD2' ' N ' ' A' ' 280' ' ' LEU . 3.4 mm? -70.5 69.3 0.4 Allowed 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.199 -0.938 . . . . 0.0 109.193 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 281' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -71.82 44.59 0.11 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.351 -0.843 . . . . 0.0 109.472 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 282' ' ' SER . . . . . 0.452 ' H ' ' C ' ' A' ' 280' ' ' LEU . 12.3 t 53.26 176.89 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.294 -0.879 . . . . 0.0 109.461 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 283' ' ' ASN . . . . . 0.441 ' ND2' ' O ' ' A' ' 283' ' ' ASN . 4.6 p-10 -170.51 103.64 0.26 Allowed 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.292 -0.88 . . . . 0.0 109.403 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 284' ' ' MET . . . . . . . . . . . . . 59.7 mtt -73.18 129.27 37.69 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.164 -0.96 . . . . 0.0 109.532 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 285' ' ' PHE . . . . . . . . . . . . . 7.1 p90 -63.33 149.69 45.16 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.214 -0.928 . . . . 0.0 109.362 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 286' ' ' SER . . . . . 0.601 ' HG ' ' H ' ' A' ' 287' ' ' ASN . 45.6 t -61.9 -175.5 0.07 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.239 -0.913 . . . . 0.0 109.477 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 287' ' ' ASN . . . . . 0.601 ' H ' ' HG ' ' A' ' 286' ' ' SER . 34.7 m120 -57.47 162.81 2.67 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.241 -0.912 . . . . 0.0 109.47 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 288' ' ' ASP . . . . . 0.519 ' O ' ' CG ' ' A' ' 289' ' ' PHE . 26.6 t70 -171.14 49.61 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.253 -0.905 . . . . 0.0 109.463 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 289' ' ' PHE . . . . . 0.519 ' CG ' ' O ' ' A' ' 288' ' ' ASP . 97.1 m-85 -158.11 7.82 0.14 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.258 -0.901 . . . . 0.0 109.37 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 290' ' ' ASN . . . . . 0.511 ' O ' ' CG ' ' A' ' 291' ' ' PHE . 82.9 m-20 -63.81 -84.89 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.244 -0.91 . . . . 0.0 109.519 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 291' ' ' PHE . . . . . 0.511 ' CG ' ' O ' ' A' ' 290' ' ' ASN . 96.8 m-85 -158.18 -72.08 0.09 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.198 -0.938 . . . . 0.0 109.509 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 292' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -171.75 19.75 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.323 -0.861 . . . . 0.0 109.327 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 293' ' ' ASN . . . . . . . . . . . . . 17.6 m-80 -69.02 -59.98 2.67 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.309 -0.87 . . . . 0.0 109.561 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 294' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -168.91 153.47 5.74 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.307 -0.871 . . . . 0.0 109.566 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 295' ' ' PHE . . . . . 0.405 ' CD1' ' N ' ' A' ' 295' ' ' PHE . 14.6 p90 -159.77 129.09 5.23 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.229 -0.919 . . . . 0.0 109.209 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 296' ' ' ASP . . . . . 0.419 ' O ' ' O ' ' A' ' 297' ' ' GLU . 18.2 t0 -59.3 -102.62 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.267 -0.896 . . . . 0.0 109.757 -179.705 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 297' ' ' GLU . . . . . 0.419 ' O ' ' O ' ' A' ' 296' ' ' ASP . 5.7 tp10 61.72 137.62 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.471 -0.768 . . . . 0.0 109.561 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 298' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -79.64 -29.17 40.91 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.21 -0.931 . . . . 0.0 109.696 -179.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 299' ' ' VAL . . . . . . . . . . . . . 1.6 p -92.39 70.84 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 O-C-N 121.238 -0.914 . . . . 0.0 108.786 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 300' ' ' SER . . . . . 0.463 ' O ' ' N ' ' A' ' 304' ' ' SER . 6.0 t -131.64 -130.96 0.19 Allowed 'General case' 0 N--CA 1.489 1.492 0 CA-C-O 121.634 0.73 . . . . 0.0 110.28 -178.083 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 301' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -45.97 -35.41 4.68 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.641 -0.662 . . . . 0.0 109.796 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 302' ' ' PHE . . . . . 0.474 ' CE1' ' SD ' ' A' ' 306' ' ' MET . 50.2 t80 -64.34 -53.6 46.25 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.342 -0.849 . . . . 0.0 109.699 -179.499 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 303' ' ' CYS . . . . . . . . . . . . . 20.9 m -84.35 -42.06 16.14 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.264 -0.897 . . . . 0.0 110.501 -179.303 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 304' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 300' ' ' SER . 22.2 p -61.14 -26.02 67.39 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.196 -0.94 . . . . 0.0 111.197 -178.549 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . 12.3 ttmm -93.17 -28.26 16.4 Favored 'General case' 0 N--CA 1.502 2.163 0 O-C-N 120.758 -1.214 . . . . 0.0 108.231 178.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 306' ' ' MET . . . . . 0.474 ' SD ' ' CE1' ' A' ' 302' ' ' PHE . 40.6 mtp -64.83 -18.68 65.34 Favored 'General case' 0 C--N 1.298 -1.632 0 N-CA-C 107.022 -1.473 . . . . 0.0 107.022 177.322 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 307' ' ' ASN . . . . . 0.456 ' O ' ' C ' ' A' ' 308' ' ' GLN . 80.7 m-20 -83.15 -36.82 24.44 Favored 'General case' 0 N--CA 1.487 1.383 0 N-CA-C 105.837 -1.912 . . . . 0.0 105.837 178.503 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 308' ' ' GLN . . . . . 0.547 ' C ' ' H ' ' A' ' 310' ' ' CYS . 23.8 tp60 -35.8 -38.01 0.11 Allowed 'General case' 0 N--CA 1.508 2.439 0 CA-C-O 121.763 0.792 . . . . 0.0 109.043 178.362 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 309' ' ' VAL . . . . . . . . . . . . . 20.4 t -47.09 -12.0 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.87 0 C-N-CA 120.019 -0.672 . . . . 0.0 109.678 179.227 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 310' ' ' CYS . . . . . 0.547 ' H ' ' C ' ' A' ' 308' ' ' GLN . 0.5 OUTLIER -88.66 -74.88 0.45 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.171 -0.956 . . . . 0.0 108.627 178.901 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 311' ' ' GLY . . . . . . . . . . . . . . . -87.4 136.03 13.6 Favored Glycine 0 N--CA 1.493 2.476 0 N-CA-C 109.621 -1.392 . . . . 0.0 109.621 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 312' ' ' THR . . . . . . . . . . . . . 70.5 p -81.25 122.32 27.26 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.151 -1.205 . . . . 0.0 109.404 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 313' ' ' ARG . . . . . 0.563 HH11 ' CG ' ' A' ' 313' ' ' ARG . 0.3 OUTLIER . . . . . 0 N--CA 1.491 1.612 0 CA-C-O 118.073 -0.965 . . . . 0.0 109.432 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 565' ' ' ASN . . . . . . . . . . . . . 60.9 m-80 . . . . . 0 N--CA 1.489 1.51 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 566' ' ' GLY . . . . . . . . . . . . . . . 178.62 175.57 45.8 Favored Glycine 0 N--CA 1.49 2.283 0 N-CA-C 109.544 -1.422 . . . . 0.0 109.544 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 567' ' ' SER . . . . . . . . . . . . . 72.1 m -166.06 71.5 0.14 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.312 -1.11 . . . . 0.0 109.394 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 568' ' ' SER . . . . . . . . . . . . . 86.0 p -169.47 128.83 1.0 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.247 -0.908 . . . . 0.0 109.544 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 569' ' ' LEU . . . . . . . . . . . . . 14.2 mt 55.23 23.53 5.57 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.231 -0.918 . . . . 0.0 109.411 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 570' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 52.43 82.15 0.07 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.251 -0.906 . . . . 0.0 109.531 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 571' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -79.6 -78.83 0.15 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.216 -0.927 . . . . 0.0 109.461 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -57.49 126.29 26.64 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.266 -0.896 . . . . 0.0 109.426 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 573' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -171.41 79.78 0.07 Allowed 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.218 -0.926 . . . . 0.0 109.375 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 574' ' ' LYS . . . . . . . . . . . . . 35.5 ttpt -169.51 -21.87 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.169 -0.957 . . . . 0.0 109.536 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 575' ' ' ILE . . . . . . . . . . . . . 16.8 tt -62.18 -24.3 34.36 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 121.294 -0.879 . . . . 0.0 109.562 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 576' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -66.87 82.94 0.11 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.247 -0.908 . . . . 0.0 109.439 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 577' ' ' ASN . . . . . . . . . . . . . 32.1 m120 -69.06 165.86 19.36 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.259 -0.9 . . . . 0.0 109.444 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 578' ' ' GLY . . . . . . . . . . . . . . . 175.6 41.94 0.05 OUTLIER Glycine 0 N--CA 1.491 2.326 0 N-CA-C 109.432 -1.467 . . . . 0.0 109.432 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 579' ' ' ASN . . . . . 0.419 ' O ' ' OD2' ' B' ' 582' ' ' ASP . 3.3 p30 -70.12 -10.74 59.75 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.264 -1.139 . . . . 0.0 109.281 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 580' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -80.4 -60.5 2.3 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.382 -0.824 . . . . 0.0 109.483 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 581' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -61.65 -46.53 89.37 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.38 -0.825 . . . . 0.0 109.534 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 582' ' ' ASP . . . . . 0.419 ' OD2' ' O ' ' B' ' 579' ' ' ASN . 53.6 m-20 52.53 -167.55 0.05 Allowed 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.215 -0.928 . . . . 0.0 109.448 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 583' ' ' ASN . . . . . 0.473 ' O ' ' N ' ' B' ' 585' ' ' ASN . 59.5 t-20 -67.69 94.86 0.46 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.216 -0.927 . . . . 0.0 109.467 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 584' ' ' ASP . . . . . . . . . . . . . 29.4 t70 51.01 -92.97 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.265 -0.897 . . . . 0.0 109.525 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 585' ' ' ASN . . . . . 0.473 ' N ' ' O ' ' B' ' 583' ' ' ASN . 23.6 m-80 -157.48 84.09 0.91 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.327 -0.858 . . . . 0.0 109.369 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 586' ' ' ASP . . . . . 0.5 ' C ' ' H ' ' B' ' 588' ' ' VAL . 4.8 m-20 -78.84 76.93 5.32 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.25 -0.906 . . . . 0.0 109.576 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 587' ' ' VAL . . . . . . . . . . . . . 2.9 t -74.83 13.23 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 O-C-N 121.382 -0.824 . . . . 0.0 108.957 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 588' ' ' VAL . . . . . 0.5 ' H ' ' C ' ' B' ' 586' ' ' ASP . 3.8 m -145.46 68.66 13.53 Favored Pre-proline 0 N--CA 1.491 1.619 0 O-C-N 121.563 -0.711 . . . . 0.0 109.287 -179.822 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 589' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -59.51 95.28 0.09 OUTLIER 'Trans proline' 0 C--N 1.319 -1.001 0 C-N-CA 121.454 1.436 . . . . 0.0 109.894 -179.548 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 590' ' ' SER . . . . . 0.509 ' O ' ' N ' ' B' ' 592' ' ' GLU . 84.8 p -171.94 -156.5 0.1 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.346 -0.847 . . . . 0.0 109.345 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 591' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -62.31 78.12 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.085 -1.009 . . . . 0.0 109.239 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 592' ' ' GLU . . . . . 0.509 ' N ' ' O ' ' B' ' 590' ' ' SER . 43.4 tt0 -62.14 143.85 56.16 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.261 -0.899 . . . . 0.0 109.596 -179.805 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 593' ' ' GLY . . . . . . . . . . . . . . . 72.93 92.37 0.11 Allowed Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.622 -1.391 . . . . 0.0 109.622 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 594' ' ' SER . . . . . . . . . . . . . 66.3 m -89.14 166.3 13.93 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.094 -1.239 . . . . 0.0 110.305 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 595' ' ' LEU . . . . . . . . . . . . . 37.2 mt -94.76 121.37 36.27 Favored 'General case' 0 C--N 1.298 -1.655 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 596' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -127.4 150.37 49.65 Favored 'General case' 0 N--CA 1.5 2.033 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 597' ' ' ARG . . . . . . . . . . . . . 52.5 mtm180 -87.64 -150.93 0.18 Allowed 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.265 -0.897 . . . . 0.0 110.217 -179.303 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 598' ' ' CYS . . . . . 0.415 ' O ' ' N ' ' B' ' 600' ' ' GLU . 2.1 p -82.92 -90.29 0.08 Allowed 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.358 -0.839 . . . . 0.0 110.643 -178.866 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 599' ' ' SER . . . . . 0.404 ' O ' ' N ' ' B' ' 602' ' ' TRP . 15.3 t -45.14 -23.97 0.21 Allowed 'General case' 0 N--CA 1.495 1.779 0 CA-C-O 121.9 0.857 . . . . 0.0 109.602 -179.255 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 600' ' ' GLU . . . . . 0.415 ' N ' ' O ' ' B' ' 598' ' ' CYS . 18.4 tp10 -48.01 -39.91 21.08 Favored 'General case' 0 C--N 1.304 -1.396 0 CA-C-O 122.616 1.198 . . . . 0.0 108.522 179.459 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 601' ' ' ILE . . . . . 0.546 ' O ' ' N ' ' B' ' 604' ' ' ARG . 1.1 mp -68.26 -34.55 66.85 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.195 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 -178.587 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 602' ' ' TRP . . . . . 0.415 ' C ' ' O ' ' B' ' 601' ' ' ILE . 61.8 t-105 -45.44 -37.89 5.58 Favored 'General case' 0 N--CA 1.495 1.78 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 179.72 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 603' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -66.89 -42.85 84.82 Favored 'General case' 0 C--N 1.303 -1.417 0 N-CA-C 107.625 -1.25 . . . . 0.0 107.625 177.531 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 604' ' ' ARG . . . . . 0.546 ' N ' ' O ' ' B' ' 601' ' ' ILE . 22.3 ttm-85 -57.29 -39.42 75.69 Favored 'General case' 0 N--CA 1.497 1.91 0 CA-C-O 121.881 0.848 . . . . 0.0 109.233 178.82 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 605' ' ' ILE . . . . . . . . . . . . . 76.1 mt -75.37 -49.72 26.54 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.977 0 O-C-N 121.826 -0.546 . . . . 0.0 111.092 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 606' ' ' THR . . . . . . . . . . . . . 43.1 p -60.12 -51.75 68.25 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.844 -1.16 . . . . 0.0 110.324 -178.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 607' ' ' THR . . . . . 0.548 ' HG1' ' N ' ' B' ' 608' ' ' HIS . 73.4 p -58.09 -46.08 86.08 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.068 -1.02 . . . . 0.0 110.322 -179.328 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 608' ' ' HIS . . . . . 0.548 ' N ' ' HG1' ' B' ' 607' ' ' THR . 1.4 m-70 -51.13 111.8 2.57 Favored Pre-proline 0 N--CA 1.491 1.576 0 O-C-N 121.184 -0.948 . . . . 0.0 109.877 -179.329 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 609' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -64.05 3.0 0.85 Allowed 'Trans proline' 0 C--O 1.215 -0.672 0 N-CA-C 108.955 -1.21 . . . . 0.0 108.955 179.18 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 610' ' ' LYS . . . . . 0.532 ' H ' ' C ' ' B' ' 608' ' ' HIS . 34.7 ttmt -69.56 -104.87 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.405 -0.809 . . . . 0.0 109.417 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 611' ' ' TYR . . . . . 0.481 ' O ' ' O ' ' B' ' 610' ' ' LYS . 8.0 t80 60.25 127.33 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.189 -0.944 . . . . 0.0 109.044 -179.706 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 612' ' ' SER . . . . . 0.457 ' OG ' ' O ' ' B' ' 611' ' ' TYR . 34.0 m -172.06 -117.93 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.658 -1.276 . . . . 0.0 109.006 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 613' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -96.43 65.65 2.32 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.21 -0.931 . . . . 0.0 109.158 179.699 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 614' ' ' ILE . . . . . 0.471 ' CG2' ' N ' ' B' ' 615' ' ' ASP . 79.2 mt -97.04 172.55 1.05 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.786 0 O-C-N 121.388 -0.82 . . . . 0.0 109.441 -179.71 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 615' ' ' ASP . . . . . 0.471 ' N ' ' CG2' ' B' ' 614' ' ' ILE . 26.5 t70 -121.11 112.87 19.24 Favored 'General case' 0 N--CA 1.494 1.741 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 179.341 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 616' ' ' VAL . . . . . . . . . . . . . 60.3 t -79.36 -16.63 13.21 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.515 0 O-C-N 121.276 -0.89 . . . . 0.0 109.24 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 617' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -74.81 -41.34 60.14 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.285 -0.884 . . . . 0.0 110.82 -179.026 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 618' ' ' GLY . . . . . 0.436 ' O ' ' OE2' ' B' ' 622' ' ' GLU . . . -62.97 -40.52 99.4 Favored Glycine 0 N--CA 1.49 2.267 0 C-N-CA 119.622 -1.275 . . . . 0.0 110.208 -179.296 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 619' ' ' LEU . . . . . 0.564 ' CD2' ' NE2' ' B' ' 648' ' ' HIS . 0.0 OUTLIER -66.8 -24.43 66.18 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 107.123 -1.436 . . . . 0.0 107.123 179.217 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 620' ' ' CYS . . . . . . . . . . . . . 5.6 t -62.57 -54.0 46.3 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.293 -0.879 . . . . 0.0 109.857 179.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 621' ' ' SER . . . . . 0.43 ' OG ' ' OE1' ' B' ' 622' ' ' GLU . 47.0 p -85.13 -10.69 56.48 Favored 'General case' 0 N--CA 1.501 2.119 0 O-C-N 120.745 -1.222 . . . . 0.0 111.416 -179.033 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 622' ' ' GLU . . . . . 0.436 ' OE2' ' O ' ' B' ' 618' ' ' GLY . 0.9 OUTLIER -101.79 -34.17 9.53 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 120.814 -1.179 . . . . 0.0 109.253 178.221 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 623' ' ' LEU . . . . . 0.433 ' N ' ' O ' ' B' ' 619' ' ' LEU . 1.1 tt -89.42 -22.28 22.61 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.75 -1.219 . . . . 0.0 109.723 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 624' ' ' MET . . . . . . . . . . . . . 5.4 ttt -83.83 -21.34 32.09 Favored 'General case' 0 N--CA 1.503 2.198 0 O-C-N 120.89 -1.131 . . . . 0.0 112.509 -178.451 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 625' ' ' ALA . . . . . . . . . . . . . . . -103.48 -9.02 19.67 Favored 'General case' 0 N--CA 1.509 2.505 0 O-C-N 120.718 -1.239 . . . . 0.0 110.03 -179.469 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 626' ' ' LYS . . . . . . . . . . . . . 63.9 mttm -86.71 -6.26 58.89 Favored 'General case' 0 N--CA 1.491 1.606 0 N-CA-C 106.159 -1.793 . . . . 0.0 106.159 176.516 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 627' ' ' ALA . . . . . . . . . . . . . . . -42.06 138.18 1.66 Allowed 'General case' 0 N--CA 1.492 1.674 0 CA-C-N 115.054 -0.975 . . . . 0.0 111.58 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 628' ' ' LYS . . . . . . . . . . . . . 17.9 tptm -111.29 91.9 3.83 Favored 'General case' 0 N--CA 1.496 1.865 0 N-CA-C 107.736 -1.209 . . . . 0.0 107.736 178.236 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 629' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -54.94 117.76 3.7 Favored 'General case' 0 N--CA 1.494 1.732 0 CA-C-O 122.346 1.07 . . . . 0.0 111.236 -178.034 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 630' ' ' SER . . . . . . . . . . . . . 31.1 t -142.96 160.45 40.32 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 107.633 -1.247 . . . . 0.0 107.633 178.323 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 631' ' ' GLU . . . . . 0.543 ' C ' ' H ' ' B' ' 633' ' ' GLY . 42.1 tt0 -63.97 -23.29 67.28 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.3 -1.5 . . . . 0.0 109.031 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 632' ' ' ARG . . . . . 0.566 ' CG ' HH11 ' B' ' 632' ' ' ARG . 3.7 mtt-85 -79.73 34.85 0.28 Allowed 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 107.579 -1.267 . . . . 0.0 107.579 177.872 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 633' ' ' GLY . . . . . 0.543 ' H ' ' C ' ' B' ' 631' ' ' GLU . . . 70.06 -170.49 44.18 Favored Glycine 0 N--CA 1.49 2.253 0 N-CA-C 107.684 -2.166 . . . . 0.0 107.684 -178.331 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 634' ' ' VAL . . . . . . . . . . . . . 78.9 t -78.21 141.88 14.88 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.408 0 O-C-N 120.493 -1.592 . . . . 0.0 109.199 179.37 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 31.4 m -131.21 136.33 57.94 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.233 0 O-C-N 121.146 -0.971 . . . . 0.0 109.255 178.608 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 636' ' ' ILE . . . . . . . . . . . . . 22.1 mm -113.29 144.3 21.22 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.928 0 O-C-N 121.78 -0.575 . . . . 0.0 109.546 -179.237 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 637' ' ' ASN . . . . . 0.5 ' O ' ' N ' ' B' ' 639' ' ' GLU . 9.6 p-10 -88.57 130.1 35.33 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.915 -1.116 . . . . 0.0 108.234 178.513 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -46.76 -13.73 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.56 -0.713 . . . . 0.0 110.775 -178.401 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 639' ' ' GLU . . . . . 0.5 ' N ' ' O ' ' B' ' 637' ' ' ASN . 15.5 tp10 -82.66 -25.13 33.37 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.134 -0.979 . . . . 0.0 110.977 -178.78 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 640' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -84.21 -51.71 6.82 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 120.167 -1.583 . . . . 0.0 108.112 178.475 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 641' ' ' VAL . . . . . 0.466 ' CG1' ' N ' ' B' ' 642' ' ' GLN . 13.0 p -53.66 -50.02 53.23 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.509 0 O-C-N 120.663 -1.273 . . . . 0.0 107.966 177.464 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 642' ' ' GLN . . . . . 0.466 ' N ' ' CG1' ' B' ' 641' ' ' VAL . 1.3 tm0? -54.36 -31.64 55.06 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.97 -1.081 . . . . 0.0 109.298 179.647 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 643' ' ' LEU . . . . . 0.456 ' O ' ' CG ' ' B' ' 647' ' ' LYS . 18.4 mt -81.91 -26.99 33.63 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.094 -1.004 . . . . 0.0 109.271 179.241 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 644' ' ' ALA . . . . . . . . . . . . . . . -86.59 -36.37 18.91 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.862 -1.149 . . . . 0.0 109.51 179.201 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 645' ' ' LEU . . . . . 0.54 ' O ' ' N ' ' B' ' 647' ' ' LYS . 43.7 mt -74.28 -68.9 0.48 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.688 -1.257 . . . . 0.0 108.432 178.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 646' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -48.19 -9.46 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.178 -0.951 . . . . 0.0 110.236 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 647' ' ' LYS . . . . . 0.579 ' C ' ' H ' ' B' ' 649' ' ' MET . 0.0 OUTLIER -76.78 -81.3 0.09 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.981 -1.074 . . . . 0.0 109.345 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 648' ' ' HIS . . . . . 0.564 ' NE2' ' CD2' ' B' ' 619' ' ' LEU . 1.6 p80 -60.71 25.03 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.105 -0.997 . . . . 0.0 111.8 -178.241 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 649' ' ' MET . . . . . 0.579 ' H ' ' C ' ' B' ' 647' ' ' LYS . 6.8 mmt -93.92 100.5 12.65 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.561 -1.337 . . . . 0.0 109.196 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 650' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 . . . . . 0 N--CA 1.49 1.547 0 CA-C-O 117.955 -1.022 . . . . 0.0 109.504 -179.988 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 279' ' ' ASN . . . . . . . . . . . . . 16.4 m-20 . . . . . 0 N--CA 1.488 1.46 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 280' ' ' LEU . . . . . 0.51 ' C ' ' H ' ' A' ' 282' ' ' SER . 0.1 OUTLIER -127.67 -77.83 0.57 Allowed 'General case' 0 N--CA 1.497 1.916 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 -179.883 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 281' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 57.71 4.54 0.26 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.23 -0.919 . . . . 0.0 109.456 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 282' ' ' SER . . . . . 0.51 ' H ' ' C ' ' A' ' 280' ' ' LEU . 32.2 t -79.74 51.76 1.35 Allowed 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.192 -0.942 . . . . 0.0 109.419 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 283' ' ' ASN . . . . . . . . . . . . . 17.6 p-10 -51.63 113.31 0.94 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.295 -0.878 . . . . 0.0 109.522 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 284' ' ' MET . . . . . 0.588 ' N ' ' SD ' ' A' ' 284' ' ' MET . 2.2 mpt? -79.2 153.62 29.86 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.275 -0.89 . . . . 0.0 109.44 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 285' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -66.9 124.87 24.19 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.285 -0.884 . . . . 0.0 109.55 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 286' ' ' SER . . . . . 0.523 ' HG ' ' H ' ' A' ' 287' ' ' ASN . 13.0 t 53.25 -178.97 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.258 -0.901 . . . . 0.0 109.511 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 287' ' ' ASN . . . . . 0.523 ' H ' ' HG ' ' A' ' 286' ' ' SER . 8.5 p-10 -169.47 70.26 0.07 Allowed 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.257 -0.902 . . . . 0.0 109.483 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 288' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -73.39 -29.86 62.89 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.338 -0.851 . . . . 0.0 109.534 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 289' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -65.65 -72.29 0.16 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.227 -0.92 . . . . 0.0 109.597 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 290' ' ' ASN . . . . . 0.513 ' CG ' ' H ' ' A' ' 291' ' ' PHE . 9.2 t-20 -169.85 -167.15 0.63 Allowed 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.247 -0.908 . . . . 0.0 109.305 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 291' ' ' PHE . . . . . 0.513 ' H ' ' CG ' ' A' ' 290' ' ' ASN . 3.7 t80 69.83 83.43 0.15 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.372 -0.83 . . . . 0.0 108.958 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 292' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -85.03 57.57 4.53 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.123 -0.986 . . . . 0.0 109.674 -179.606 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 293' ' ' ASN . . . . . 0.416 ' O ' ' O ' ' A' ' 294' ' ' GLN . 35.2 p30 -66.8 80.54 0.11 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.263 -0.898 . . . . 0.0 109.359 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 294' ' ' GLN . . . . . 0.416 ' O ' ' O ' ' A' ' 293' ' ' ASN . 27.5 mm100 52.02 177.78 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.394 -0.816 . . . . 0.0 109.395 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 295' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -80.34 138.7 36.74 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.19 -0.944 . . . . 0.0 109.312 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 -74.85 -88.78 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.147 -0.971 . . . . 0.0 109.336 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 297' ' ' GLU . . . . . 0.581 ' C ' ' H ' ' A' ' 299' ' ' VAL . 38.4 mt-10 51.38 35.39 13.89 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.248 -0.908 . . . . 0.0 109.641 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 298' ' ' GLN . . . . . 0.413 ' O ' ' O ' ' A' ' 299' ' ' VAL . 31.0 mt-30 63.06 -17.07 0.06 Allowed 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.46 -0.775 . . . . 0.0 110.685 179.752 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 299' ' ' VAL . . . . . 0.581 ' H ' ' C ' ' A' ' 297' ' ' GLU . 3.5 t 60.23 114.18 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.486 1.373 0 O-C-N 120.977 -1.077 . . . . 0.0 109.433 -179.802 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 300' ' ' SER . . . . . 0.556 ' C ' ' N ' ' A' ' 302' ' ' PHE . 8.4 m -179.03 17.52 0.0 OUTLIER 'General case' 0 C--N 1.294 -1.847 0 CA-C-N 115.168 -0.923 . . . . 0.0 109.77 179.042 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 301' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 300' ' ' SER . 42.7 mt-10 -49.18 -20.18 0.56 Allowed 'General case' 0 N--CA 1.492 1.653 0 N-CA-C 106.161 -1.792 . . . . 0.0 106.161 178.143 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 302' ' ' PHE . . . . . 0.556 ' N ' ' C ' ' A' ' 300' ' ' SER . 10.3 t80 -78.42 -65.22 1.01 Allowed 'General case' 0 C--N 1.306 -1.31 0 CA-C-N 114.551 -1.204 . . . . 0.0 109.571 178.254 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 303' ' ' CYS . . . . . . . . . . . . . 4.0 m -58.25 -43.26 87.75 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.043 -1.036 . . . . 0.0 109.075 179.725 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 49.5 m -53.73 -34.06 57.7 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.542 -0.724 . . . . 0.0 110.782 -179.355 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 305' ' ' LYS . . . . . 0.432 ' NZ ' ' CB ' ' A' ' 305' ' ' LYS . 2.3 ttmp? -99.45 -15.21 18.79 Favored 'General case' 0 N--CA 1.504 2.266 0 O-C-N 120.978 -1.077 . . . . 0.0 108.409 178.242 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 306' ' ' MET . . . . . . . . . . . . . 4.7 ttt -75.09 -20.83 59.31 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 106.751 -1.574 . . . . 0.0 106.751 176.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 307' ' ' ASN . . . . . 0.455 ' O ' ' C ' ' A' ' 308' ' ' GLN . 31.7 m-20 -83.2 -41.67 18.17 Favored 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 105.751 -1.944 . . . . 0.0 105.751 178.129 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 308' ' ' GLN . . . . . 0.525 ' O ' ' N ' ' A' ' 310' ' ' CYS . 42.2 tt0 -36.36 -38.86 0.16 Allowed 'General case' 0 N--CA 1.506 2.36 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 178.512 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 309' ' ' VAL . . . . . . . . . . . . . 5.6 m -44.8 -17.55 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.501 2.083 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 178.446 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 310' ' ' CYS . . . . . 0.525 ' N ' ' O ' ' A' ' 308' ' ' GLN . 4.9 m -85.92 30.12 0.68 Allowed 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.498 -0.751 . . . . 0.0 108.974 179.174 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 311' ' ' GLY . . . . . . . . . . . . . . . -87.28 116.55 4.51 Favored Glycine 0 N--CA 1.494 2.536 0 N-CA-C 109.393 -1.483 . . . . 0.0 109.393 179.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 312' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -98.43 94.23 6.61 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.278 -1.131 . . . . 0.0 109.46 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 313' ' ' ARG . . . . . 0.517 HH11 ' CG ' ' A' ' 313' ' ' ARG . 5.0 mtt-85 . . . . . 0 N--CA 1.492 1.641 0 CA-C-O 117.899 -1.048 . . . . 0.0 109.34 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 565' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 566' ' ' GLY . . . . . 0.496 ' C ' ' H ' ' B' ' 568' ' ' SER . . . 173.08 -52.49 0.16 Allowed Glycine 0 N--CA 1.491 2.327 0 N-CA-C 109.479 -1.448 . . . . 0.0 109.479 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 567' ' ' SER . . . . . . . . . . . . . 15.4 p 55.08 6.86 0.15 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.234 -1.157 . . . . 0.0 109.501 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 568' ' ' SER . . . . . 0.496 ' H ' ' C ' ' B' ' 566' ' ' GLY . 71.9 m -79.6 -89.32 0.06 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.208 -0.932 . . . . 0.0 109.422 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 569' ' ' LEU . . . . . . . . . . . . . 1.6 tt -168.34 115.51 0.68 Allowed 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.38 -0.825 . . . . 0.0 109.143 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 570' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -156.08 68.8 0.63 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.287 -0.883 . . . . 0.0 109.385 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 571' ' ' ASN . . . . . . . . . . . . . 35.4 m120 -157.28 105.51 2.11 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.312 -0.868 . . . . 0.0 109.474 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -168.42 3.07 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.179 -0.951 . . . . 0.0 109.553 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 573' ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -63.1 -152.46 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.268 -0.895 . . . . 0.0 109.432 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 574' ' ' LYS . . . . . . . . . . . . . 56.6 mttm 53.83 -137.7 1.19 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.327 -0.858 . . . . 0.0 109.546 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 575' ' ' ILE . . . . . . . . . . . . . 4.1 pt -149.39 89.04 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 121.285 -0.884 . . . . 0.0 109.211 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 576' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -65.36 162.97 16.51 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.286 -0.883 . . . . 0.0 109.411 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 577' ' ' ASN . . . . . . . . . . . . . 73.4 m-20 -158.81 44.98 0.28 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.216 -0.927 . . . . 0.0 109.459 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 578' ' ' GLY . . . . . . . . . . . . . . . 175.35 102.48 0.16 Allowed Glycine 0 N--CA 1.491 2.348 0 N-CA-C 109.504 -1.438 . . . . 0.0 109.504 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 579' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -157.42 135.1 10.66 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.218 -1.166 . . . . 0.0 109.424 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 580' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -70.33 57.85 0.17 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.291 -0.881 . . . . 0.0 109.478 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 581' ' ' ASN . . . . . . . . . . . . . 10.1 m120 52.77 -148.79 0.41 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.23 -0.919 . . . . 0.0 109.418 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 582' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -59.15 114.9 2.84 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.112 -0.992 . . . . 0.0 109.523 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 583' ' ' ASN . . . . . . . . . . . . . 37.2 t-20 -73.83 105.17 4.99 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.225 -0.922 . . . . 0.0 109.409 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 584' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -64.33 145.33 56.21 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.323 -0.861 . . . . 0.0 109.466 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 585' ' ' ASN . . . . . . . . . . . . . 39.2 t30 -63.0 -106.06 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.233 -0.917 . . . . 0.0 109.495 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 586' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -171.36 70.89 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.227 -0.921 . . . . 0.0 109.671 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 587' ' ' VAL . . . . . . . . . . . . . 2.8 t -145.39 9.99 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.852 0 O-C-N 121.237 -0.914 . . . . 0.0 108.953 179.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 588' ' ' VAL . . . . . 0.628 ' N ' ' CD ' ' B' ' 589' ' ' PRO . 2.2 t -112.9 -35.41 0.11 Allowed Pre-proline 0 N--CA 1.501 2.104 0 CA-C-O 118.927 -0.558 . . . . 0.0 111.623 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 589' ' ' PRO . . . . . 0.628 ' CD ' ' N ' ' B' ' 588' ' ' VAL . 2.1 Cg_endo -68.56 123.17 10.19 Favored 'Trans proline' 0 C--O 1.215 -0.666 0 C-N-CA 120.618 0.879 . . . . 0.0 109.914 -178.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 590' ' ' SER . . . . . . . . . . . . . 94.3 p -80.57 -155.07 0.11 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.27 -0.894 . . . . 0.0 109.523 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 591' ' ' LYS . . . . . . . . . . . . . 1.5 mppt? -50.74 156.45 0.95 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.288 -0.883 . . . . 0.0 108.774 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -82.63 22.7 0.86 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.148 -0.97 . . . . 0.0 109.756 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 593' ' ' GLY . . . . . . . . . . . . . . . -99.23 -153.94 28.19 Favored Glycine 0 N--CA 1.494 2.541 0 N-CA-C 108.7 -1.76 . . . . 0.0 108.7 179.437 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 594' ' ' SER . . . . . . . . . . . . . 57.9 m -123.98 162.54 23.21 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.452 -1.028 . . . . 0.0 109.802 179.488 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 595' ' ' LEU . . . . . . . . . . . . . 23.9 mt -82.71 118.46 23.37 Favored 'General case' 0 C--N 1.298 -1.634 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 179.16 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 596' ' ' LEU . . . . . 0.488 ' O ' ' N ' ' B' ' 636' ' ' ILE . 2.6 mt -127.22 147.87 50.21 Favored 'General case' 0 N--CA 1.504 2.234 0 O-C-N 121.377 -0.827 . . . . 0.0 108.802 -179.36 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 597' ' ' ARG . . . . . 0.43 HH21 ' ND2' ' A' ' 307' ' ' ASN . 50.7 ttt180 -111.0 -126.17 0.27 Allowed 'General case' 0 N--CA 1.504 2.228 0 O-C-N 121.709 -0.619 . . . . 0.0 111.741 -177.364 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 598' ' ' CYS . . . . . 0.588 ' SG ' ' N ' ' B' ' 599' ' ' SER . 8.6 t -88.21 -97.77 0.09 Allowed 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.379 -0.826 . . . . 0.0 111.19 -178.187 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 599' ' ' SER . . . . . 0.588 ' N ' ' SG ' ' B' ' 598' ' ' CYS . 14.3 t -43.96 -25.88 0.24 Allowed 'General case' 0 N--CA 1.497 1.918 0 CA-C-O 122.197 0.999 . . . . 0.0 109.346 -178.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 600' ' ' GLU . . . . . 0.421 ' HG3' ' H ' ' B' ' 597' ' ' ARG . 20.0 mm-40 -46.61 -40.34 12.78 Favored 'General case' 0 C--N 1.3 -1.566 0 CA-C-O 122.31 1.052 . . . . 0.0 109.085 178.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 601' ' ' ILE . . . . . 0.533 ' O ' ' N ' ' B' ' 604' ' ' ARG . 1.3 mp -71.35 -33.09 49.0 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 -178.581 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 602' ' ' TRP . . . . . 0.413 ' C ' ' O ' ' B' ' 601' ' ' ILE . 64.7 t-105 -45.24 -37.65 4.82 Favored 'General case' 0 N--CA 1.494 1.751 0 N-CA-C 107.599 -1.26 . . . . 0.0 107.599 179.707 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 603' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -69.4 -42.98 74.39 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 177.536 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 604' ' ' ARG . . . . . 0.533 ' N ' ' O ' ' B' ' 601' ' ' ILE . 9.6 mmt-85 -56.96 -30.63 64.23 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.312 -0.868 . . . . 0.0 109.396 179.085 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 605' ' ' ILE . . . . . . . . . . . . . 85.3 mt -83.32 -46.91 18.5 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.0 0 O-C-N 121.423 -0.798 . . . . 0.0 110.902 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 606' ' ' THR . . . . . . . . . . . . . 21.4 p -49.84 -39.98 40.76 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.878 -1.139 . . . . 0.0 110.274 -179.013 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 607' ' ' THR . . . . . 0.688 ' HG1' ' H ' ' B' ' 608' ' ' HIS . 29.2 p -39.62 -63.18 0.6 Allowed 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.4 -0.813 . . . . 0.0 111.413 -178.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 608' ' ' HIS . . . . . 0.688 ' H ' ' HG1' ' B' ' 607' ' ' THR . 96.4 m-70 -53.08 139.6 44.19 Favored Pre-proline 0 N--CA 1.489 1.49 0 O-C-N 120.946 -1.097 . . . . 0.0 109.244 -178.657 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 609' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -58.65 -12.94 15.74 Favored 'Trans proline' 0 C--O 1.215 -0.673 0 N-CA-C 108.456 -1.401 . . . . 0.0 108.456 179.032 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 610' ' ' LYS . . . . . 0.611 ' C ' ' H ' ' B' ' 612' ' ' SER . 17.3 tptp -172.15 136.15 0.83 Allowed 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 108.971 -0.752 . . . . 0.0 108.971 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 611' ' ' TYR . . . . . 0.571 ' CD1' ' N ' ' B' ' 611' ' ' TYR . 0.3 OUTLIER -53.66 4.19 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.32 -0.863 . . . . 0.0 110.829 -179.788 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 612' ' ' SER . . . . . 0.611 ' H ' ' C ' ' B' ' 610' ' ' LYS . 38.6 p 46.83 51.28 12.69 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.55 -1.344 . . . . 0.0 110.553 179.266 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 613' ' ' ASP . . . . . . . . . . . . . 36.4 t70 47.34 54.09 10.01 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.196 -0.94 . . . . 0.0 111.0 178.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 614' ' ' ILE . . . . . 0.541 ' CG2' ' N ' ' B' ' 615' ' ' ASP . 4.0 mt -82.48 174.91 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.773 0 N-CA-C 107.709 -1.219 . . . . 0.0 107.709 178.781 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 615' ' ' ASP . . . . . 0.541 ' N ' ' CG2' ' B' ' 614' ' ' ILE . 1.1 m-20 -107.49 109.19 20.82 Favored 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 107.621 -1.251 . . . . 0.0 107.621 178.748 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 616' ' ' VAL . . . . . . . . . . . . . 8.4 m -74.55 -21.12 17.16 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.63 0 O-C-N 121.247 -0.908 . . . . 0.0 108.733 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 617' ' ' ASP . . . . . . . . . . . . . 57.7 m-20 -78.27 -43.6 27.69 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.435 -0.791 . . . . 0.0 110.327 -179.293 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 618' ' ' GLY . . . . . . . . . . . . . . . -69.47 -55.5 9.96 Favored Glycine 0 N--CA 1.488 2.16 0 N-CA-C 109.298 -1.521 . . . . 0.0 109.298 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 619' ' ' LEU . . . . . 0.454 ' CD1' ' C ' ' B' ' 619' ' ' LEU . 1.0 OUTLIER -57.2 -19.79 23.01 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.349 -1.089 . . . . 0.0 109.201 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 620' ' ' CYS . . . . . . . . . . . . . 7.0 t -75.09 -43.27 53.97 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.812 -1.18 . . . . 0.0 109.875 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 11.1 m -79.39 -0.33 32.38 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 120.879 -1.138 . . . . 0.0 109.126 179.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 622' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 -92.2 -44.11 8.95 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.356 -0.84 . . . . 0.0 109.525 177.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 623' ' ' LEU . . . . . . . . . . . . . 8.1 mp -85.74 -24.09 27.06 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 120.907 -1.121 . . . . 0.0 110.132 -179.342 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 624' ' ' MET . . . . . 0.44 ' SD ' ' O ' ' B' ' 624' ' ' MET . 0.3 OUTLIER -62.34 -34.07 75.94 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 120.994 -1.066 . . . . 0.0 111.543 -178.282 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 625' ' ' ALA . . . . . 0.435 ' C ' ' N ' ' B' ' 627' ' ' ALA . . . -105.29 -33.31 8.25 Favored 'General case' 0 N--CA 1.505 2.314 0 O-C-N 120.785 -1.197 . . . . 0.0 109.608 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 626' ' ' LYS . . . . . . . . . . . . . 64.9 mttm -61.72 -13.18 20.81 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 106.473 -1.677 . . . . 0.0 106.473 177.328 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 627' ' ' ALA . . . . . 0.435 ' N ' ' C ' ' B' ' 625' ' ' ALA . . . -47.08 137.61 7.53 Favored 'General case' 0 N--CA 1.492 1.663 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.547 -179.723 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 628' ' ' LYS . . . . . . . . . . . . . 59.8 tttm -107.63 91.98 3.88 Favored 'General case' 0 N--CA 1.496 1.86 0 N-CA-C 107.399 -1.334 . . . . 0.0 107.399 178.098 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 629' ' ' CYS . . . . . . . . . . . . . 44.1 t -58.8 137.01 57.93 Favored 'General case' 0 N--CA 1.492 1.652 0 CA-C-O 122.385 1.088 . . . . 0.0 112.402 -177.62 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 630' ' ' SER . . . . . 0.427 ' OG ' ' O ' ' B' ' 633' ' ' GLY . 0.9 OUTLIER -141.52 162.36 35.66 Favored 'General case' 0 N--CA 1.495 1.784 0 N-CA-C 107.29 -1.374 . . . . 0.0 107.29 178.294 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 631' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -69.79 -36.28 75.58 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.296 -1.502 . . . . 0.0 110.386 -178.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 632' ' ' ARG . . . . . 0.525 ' CG ' HH11 ' B' ' 632' ' ' ARG . 0.1 OUTLIER -71.28 -17.3 62.48 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.828 -1.17 . . . . 0.0 108.721 179.794 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 633' ' ' GLY . . . . . 0.427 ' O ' ' OG ' ' B' ' 630' ' ' SER . . . 143.41 179.18 19.83 Favored Glycine 0 N--CA 1.495 2.575 0 N-CA-C 108.915 -1.674 . . . . 0.0 108.915 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 634' ' ' VAL . . . . . 0.407 ' CG1' ' N ' ' B' ' 635' ' ' VAL . 75.9 t -78.91 162.44 3.95 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.383 0 O-C-N 120.771 -1.429 . . . . 0.0 109.896 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 635' ' ' VAL . . . . . 0.407 ' N ' ' CG1' ' B' ' 634' ' ' VAL . 22.7 m -152.24 140.7 14.35 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.172 -0.955 . . . . 0.0 108.645 178.153 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 636' ' ' ILE . . . . . 0.488 ' N ' ' O ' ' B' ' 596' ' ' LEU . 68.6 mt -131.43 141.17 46.54 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.973 0 O-C-N 121.482 -0.761 . . . . 0.0 109.355 -179.615 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 637' ' ' ASN . . . . . 0.53 ' O ' ' N ' ' B' ' 639' ' ' GLU . 40.5 m-80 -81.7 133.21 35.33 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.175 -0.953 . . . . 0.0 109.307 179.707 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -46.19 -11.66 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.899 -0.501 . . . . 0.0 110.595 -179.632 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 639' ' ' GLU . . . . . 0.53 ' N ' ' O ' ' B' ' 637' ' ' ASN . 68.6 mt-10 -82.45 -21.77 35.51 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.879 -1.138 . . . . 0.0 110.705 -179.489 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 640' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -81.26 -56.94 3.73 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 120.16 -1.588 . . . . 0.0 107.683 177.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 641' ' ' VAL . . . . . 0.484 ' O ' ' N ' ' B' ' 644' ' ' ALA . 7.6 p -51.17 -53.37 15.11 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.533 0 O-C-N 121.103 -0.998 . . . . 0.0 108.519 177.47 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 642' ' ' GLN . . . . . 0.422 ' H ' ' CG1' ' B' ' 641' ' ' VAL . 43.0 tp60 -47.84 -34.97 9.5 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.907 -1.121 . . . . 0.0 109.224 179.74 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 643' ' ' LEU . . . . . . . . . . . . . 47.3 mt -82.46 -19.7 38.37 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.089 -1.007 . . . . 0.0 108.969 178.354 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 644' ' ' ALA . . . . . 0.484 ' N ' ' O ' ' B' ' 641' ' ' VAL . . . -87.12 -33.06 19.57 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 120.814 -1.179 . . . . 0.0 109.241 178.488 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 645' ' ' LEU . . . . . . . . . . . . . 84.9 mt -87.3 -23.76 24.54 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.997 -1.064 . . . . 0.0 109.804 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 646' ' ' ASN . . . . . . . . . . . . . 54.1 t30 -91.98 -17.5 25.03 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.024 -1.048 . . . . 0.0 110.421 -179.415 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 647' ' ' LYS . . . . . . . . . . . . . 3.6 ttmp? -93.38 -13.1 28.47 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 120.966 -1.084 . . . . 0.0 109.404 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 648' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -108.09 17.99 21.68 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.195 -0.941 . . . . 0.0 109.16 179.37 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 649' ' ' MET . . . . . 0.503 ' SD ' ' OG ' ' B' ' 612' ' ' SER . 42.8 tpp -96.52 100.05 11.66 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.422 -0.798 . . . . 0.0 109.342 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 650' ' ' ASN . . . . . . . . . . . . . 53.1 t30 . . . . . 0 N--CA 1.491 1.62 0 CA-C-O 117.978 -1.01 . . . . 0.0 109.381 179.934 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 279' ' ' ASN . . . . . . . . . . . . . 14.7 p-10 . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 280' ' ' LEU . . . . . 0.506 ' CD1' ' N ' ' A' ' 280' ' ' LEU . 8.1 mp -67.2 85.79 0.15 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.276 -0.89 . . . . 0.0 109.285 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 281' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 52.83 28.4 6.4 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.199 -0.938 . . . . 0.0 109.521 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 282' ' ' SER . . . . . . . . . . . . . 56.3 m -71.22 85.81 0.78 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.269 -0.895 . . . . 0.0 109.442 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 283' ' ' ASN . . . . . 0.411 ' C ' ' H ' ' A' ' 285' ' ' PHE . 39.9 m-80 -68.45 94.23 0.54 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.173 -0.954 . . . . 0.0 109.425 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 284' ' ' MET . . . . . . . . . . . . . 45.4 mtt -77.14 41.84 0.31 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.267 -0.896 . . . . 0.0 109.485 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 285' ' ' PHE . . . . . 0.411 ' H ' ' C ' ' A' ' 283' ' ' ASN . 43.4 p90 -169.84 -172.56 1.4 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.299 -0.876 . . . . 0.0 109.41 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 286' ' ' SER . . . . . 0.41 ' O ' ' CD2' ' A' ' 285' ' ' PHE . 41.5 t -55.91 127.64 31.31 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.236 -0.915 . . . . 0.0 109.426 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 287' ' ' ASN . . . . . . . . . . . . . 13.3 p30 -64.16 153.35 38.08 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.191 -0.943 . . . . 0.0 109.35 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 288' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -68.2 172.8 5.34 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.221 -0.924 . . . . 0.0 109.466 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 289' ' ' PHE . . . . . 0.5 ' O ' ' CD2' ' A' ' 289' ' ' PHE . 53.7 t80 -167.93 0.42 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.256 -0.903 . . . . 0.0 109.462 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 290' ' ' ASN . . . . . 0.431 ' N ' ' OD1' ' A' ' 290' ' ' ASN . 1.7 m120 55.07 171.57 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.238 -0.914 . . . . 0.0 109.424 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 291' ' ' PHE . . . . . 0.516 ' O ' ' CD2' ' A' ' 291' ' ' PHE . 47.9 t80 50.06 18.2 0.36 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.248 -0.907 . . . . 0.0 109.42 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 292' ' ' GLU . . . . . . . . . . . . . 38.0 mm-40 -139.85 -39.22 0.46 Allowed 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.22 -0.925 . . . . 0.0 109.053 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 293' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 50.54 33.82 8.55 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.265 -0.897 . . . . 0.0 109.484 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 294' ' ' GLN . . . . . . . . . . . . . 37.2 tt0 -66.0 163.85 16.42 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.298 -0.876 . . . . 0.0 109.282 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 295' ' ' PHE . . . . . 0.526 ' CD2' ' O ' ' A' ' 295' ' ' PHE . 31.9 p90 -160.86 109.32 1.59 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.139 -0.976 . . . . 0.0 109.546 179.799 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 296' ' ' ASP . . . . . 0.42 ' O ' ' O ' ' A' ' 297' ' ' GLU . 1.7 m-20 53.67 95.04 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.316 -0.865 . . . . 0.0 109.557 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 297' ' ' GLU . . . . . 0.42 ' O ' ' O ' ' A' ' 296' ' ' ASP . 17.9 pt-20 -53.53 -174.98 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.184 -0.948 . . . . 0.0 109.297 179.808 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 298' ' ' GLN . . . . . 0.427 ' O ' ' O ' ' A' ' 299' ' ' VAL . 3.7 pt20 -172.28 -10.99 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.074 -1.016 . . . . 0.0 109.778 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 299' ' ' VAL . . . . . 0.427 ' O ' ' O ' ' A' ' 298' ' ' GLN . 2.1 p 36.6 96.16 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.5 2.072 0 CA-C-O 122.304 1.05 . . . . 0.0 110.621 -179.607 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 300' ' ' SER . . . . . 0.552 ' C ' ' N ' ' A' ' 302' ' ' PHE . 80.3 p -179.19 26.72 0.0 OUTLIER 'General case' 0 C--N 1.299 -1.611 0 CA-C-N 114.764 -1.107 . . . . 0.0 109.914 178.454 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 301' ' ' GLU . . . . . 0.43 ' CD ' ' H ' ' A' ' 301' ' ' GLU . 17.8 mp0 -52.49 -16.67 0.96 Allowed 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 105.835 -1.913 . . . . 0.0 105.835 177.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 302' ' ' PHE . . . . . 0.552 ' N ' ' C ' ' A' ' 300' ' ' SER . 0.1 OUTLIER -76.99 -66.6 0.8 Allowed 'General case' 0 C--N 1.31 -1.152 0 CA-C-N 114.861 -1.063 . . . . 0.0 108.994 178.379 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 303' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -61.0 -29.72 69.87 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.08 -1.012 . . . . 0.0 108.687 179.625 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 6.3 t -60.01 -37.9 81.07 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.639 -0.663 . . . . 0.0 111.39 -178.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . 53.8 mttp -103.29 -19.91 14.3 Favored 'General case' 0 N--CA 1.509 2.508 0 O-C-N 120.966 -1.084 . . . . 0.0 109.729 179.523 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 306' ' ' MET . . . . . 0.401 ' SD ' ' CE1' ' A' ' 302' ' ' PHE . 2.1 mtt -70.69 -23.81 62.55 Favored 'General case' 0 C--N 1.297 -1.716 0 N-CA-C 106.958 -1.497 . . . . 0.0 106.958 177.367 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 307' ' ' ASN . . . . . 0.451 ' O ' ' C ' ' A' ' 308' ' ' GLN . 67.4 m-20 -88.48 -40.01 13.78 Favored 'General case' 0 N--CA 1.495 1.788 0 N-CA-C 106.797 -1.557 . . . . 0.0 106.797 178.84 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 308' ' ' GLN . . . . . 0.551 ' O ' ' N ' ' A' ' 310' ' ' CYS . 35.2 tt0 -34.52 -36.7 0.05 OUTLIER 'General case' 0 N--CA 1.508 2.43 0 CA-C-O 121.695 0.76 . . . . 0.0 109.302 178.577 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 309' ' ' VAL . . . . . 0.43 ' N ' ' O ' ' A' ' 307' ' ' ASN . 30.5 t -46.66 -12.87 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.813 0 C-N-CA 120.067 -0.653 . . . . 0.0 109.56 179.141 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 310' ' ' CYS . . . . . 0.551 ' N ' ' O ' ' A' ' 308' ' ' GLN . 0.0 OUTLIER -88.16 16.12 6.59 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.428 -0.795 . . . . 0.0 108.956 179.348 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 311' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 308' ' ' GLN . . . -55.35 131.29 48.71 Favored Glycine 0 N--CA 1.492 2.414 0 N-CA-C 109.851 -1.299 . . . . 0.0 109.851 -179.666 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 312' ' ' THR . . . . . . . . . . . . . 63.0 m -129.9 124.62 33.59 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.576 -0.956 . . . . 0.0 109.31 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 313' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 . . . . . 0 N--CA 1.49 1.556 0 CA-C-O 118.013 -0.994 . . . . 0.0 109.486 179.934 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 565' ' ' ASN . . . . . 0.48 ' O ' ' N ' ' B' ' 567' ' ' SER . 29.3 m-80 . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 566' ' ' GLY . . . . . . . . . . . . . . . 66.81 -68.94 0.18 Allowed Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.402 -1.479 . . . . 0.0 109.402 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 567' ' ' SER . . . . . 0.48 ' N ' ' O ' ' B' ' 565' ' ' ASN . 40.6 t -168.58 172.84 7.82 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.299 -1.118 . . . . 0.0 109.597 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 568' ' ' SER . . . . . . . . . . . . . 54.6 m -67.6 91.29 0.28 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.341 -0.849 . . . . 0.0 109.347 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 569' ' ' LEU . . . . . . . . . . . . . 17.0 mt -66.35 -55.82 14.07 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.218 -0.926 . . . . 0.0 109.364 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 570' ' ' GLN . . . . . . . . . . . . . 25.9 tp60 -168.58 40.81 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.355 -0.841 . . . . 0.0 109.203 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 571' ' ' ASN . . . . . . . . . . . . . 34.5 m120 -75.98 -57.39 3.9 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.382 -0.824 . . . . 0.0 109.183 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -65.07 -165.32 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.435 -0.791 . . . . 0.0 109.282 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 573' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -172.18 -89.62 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.197 -0.94 . . . . 0.0 109.655 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 574' ' ' LYS . . . . . 0.531 ' O ' ' N ' ' B' ' 576' ' ' ASN . 48.8 mttp -152.24 99.12 2.48 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.365 -0.834 . . . . 0.0 109.349 -179.827 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 575' ' ' ILE . . . . . . . . . . . . . 65.1 mt 55.34 -82.87 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 121.392 -0.818 . . . . 0.0 109.82 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 576' ' ' ASN . . . . . 0.531 ' N ' ' O ' ' B' ' 574' ' ' LYS . 40.3 p30 -150.0 69.71 1.02 Allowed 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.104 -0.997 . . . . 0.0 109.261 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 577' ' ' ASN . . . . . 0.429 ' O ' ' O ' ' B' ' 576' ' ' ASN . 9.2 m-20 55.56 168.84 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.25 -0.906 . . . . 0.0 109.505 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 578' ' ' GLY . . . . . 0.502 ' C ' ' H ' ' B' ' 580' ' ' ASP . . . 161.77 -5.76 0.09 OUTLIER Glycine 0 N--CA 1.49 2.245 0 N-CA-C 109.541 -1.424 . . . . 0.0 109.541 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 579' ' ' ASN . . . . . . . . . . . . . 38.5 p-10 -75.47 30.01 0.1 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.236 -1.155 . . . . 0.0 109.484 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 580' ' ' ASP . . . . . 0.502 ' H ' ' C ' ' B' ' 578' ' ' GLY . 23.9 t0 -63.82 -36.44 83.9 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.22 -0.925 . . . . 0.0 109.51 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 581' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -64.51 -46.13 84.28 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.233 -0.917 . . . . 0.0 109.482 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 582' ' ' ASP . . . . . 0.437 ' OD1' ' N ' ' B' ' 583' ' ' ASN . 8.9 t70 -63.91 153.25 37.53 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.252 -0.905 . . . . 0.0 109.47 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 583' ' ' ASN . . . . . 0.437 ' N ' ' OD1' ' B' ' 582' ' ' ASP . 22.7 p30 -170.27 -171.99 1.21 Allowed 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.255 -0.903 . . . . 0.0 109.476 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 584' ' ' ASP . . . . . 0.411 ' N ' ' OD1' ' B' ' 584' ' ' ASP . 37.7 p-10 -69.44 54.57 0.11 Allowed 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.214 -0.928 . . . . 0.0 109.463 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 585' ' ' ASN . . . . . 0.434 ' O ' ' O ' ' B' ' 586' ' ' ASP . 13.9 m120 53.29 -137.44 1.23 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.273 -0.892 . . . . 0.0 109.495 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 586' ' ' ASP . . . . . 0.434 ' O ' ' O ' ' B' ' 585' ' ' ASN . 17.2 t70 60.86 142.82 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.414 -0.804 . . . . 0.0 109.639 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 587' ' ' VAL . . . . . . . . . . . . . 4.0 t -148.24 149.48 15.17 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.293 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 179.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 588' ' ' VAL . . . . . . . . . . . . . 4.2 t 59.13 68.93 1.46 Allowed Pre-proline 0 C--N 1.296 -1.743 0 O-C-N 121.581 -0.7 . . . . 0.0 109.468 -179.606 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 589' ' ' PRO . . . . . 0.423 ' O ' ' OG ' ' B' ' 590' ' ' SER . 5.8 Cg_exo -60.67 -179.83 0.3 Allowed 'Trans proline' 0 C--N 1.318 -1.039 0 C-N-CA 121.446 1.431 . . . . 0.0 109.769 -179.728 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 590' ' ' SER . . . . . 0.423 ' OG ' ' O ' ' B' ' 589' ' ' PRO . 10.0 p 57.25 -157.76 0.28 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.215 -0.928 . . . . 0.0 109.4 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 591' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -170.83 142.06 1.87 Allowed 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.315 -0.866 . . . . 0.0 109.517 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -148.52 142.19 25.54 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.244 -0.91 . . . . 0.0 109.37 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 593' ' ' GLY . . . . . . . . . . . . . . . -171.39 90.07 0.09 OUTLIER Glycine 0 N--CA 1.49 2.245 0 N-CA-C 109.333 -1.507 . . . . 0.0 109.333 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 594' ' ' SER . . . . . . . . . . . . . 66.8 m -78.79 165.49 23.52 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.228 -1.16 . . . . 0.0 110.061 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 595' ' ' LEU . . . . . 0.521 ' CD1' ' N ' ' B' ' 595' ' ' LEU . 8.0 mp -92.57 118.77 31.35 Favored 'General case' 0 C--N 1.3 -1.57 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 596' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -127.32 158.03 38.32 Favored 'General case' 0 N--CA 1.502 2.152 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 597' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -101.24 -142.76 0.34 Allowed 'General case' 0 N--CA 1.501 2.086 0 O-C-N 121.177 -0.952 . . . . 0.0 111.353 -178.401 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 598' ' ' CYS . . . . . 0.551 ' O ' ' N ' ' B' ' 600' ' ' GLU . 7.1 p -74.36 -103.52 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.459 -0.775 . . . . 0.0 111.421 -178.046 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 599' ' ' SER . . . . . 0.498 ' O ' ' N ' ' B' ' 602' ' ' TRP . 26.1 t -44.59 -16.95 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.919 0 CA-C-O 122.041 0.924 . . . . 0.0 109.451 -179.251 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 600' ' ' GLU . . . . . 0.551 ' N ' ' O ' ' B' ' 598' ' ' CYS . 8.3 tp10 -43.85 -42.13 5.51 Favored 'General case' 0 C--N 1.302 -1.467 0 CA-C-O 122.573 1.177 . . . . 0.0 108.953 179.095 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 601' ' ' ILE . . . . . 0.536 ' O ' ' N ' ' B' ' 604' ' ' ARG . 1.3 mp -69.52 -33.06 55.31 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.086 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 -178.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 602' ' ' TRP . . . . . 0.498 ' N ' ' O ' ' B' ' 599' ' ' SER . 62.0 t-105 -44.94 -37.6 4.09 Favored 'General case' 0 N--CA 1.494 1.754 0 N-CA-C 107.817 -1.179 . . . . 0.0 107.817 179.725 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 603' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -69.17 -43.81 73.5 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 107.534 -1.284 . . . . 0.0 107.534 177.543 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 604' ' ' ARG . . . . . 0.556 HH11 ' CG ' ' B' ' 604' ' ' ARG . 0.0 OUTLIER -56.07 -42.74 77.15 Favored 'General case' 0 N--CA 1.497 1.924 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 178.683 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 605' ' ' ILE . . . . . . . . . . . . . 54.8 mt -72.23 -46.54 57.36 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.796 0 O-C-N 121.701 -0.625 . . . . 0.0 109.947 179.181 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 606' ' ' THR . . . . . 0.552 ' C ' ' H ' ' B' ' 608' ' ' HIS . 18.0 m -60.48 -50.21 74.49 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 120.939 -1.1 . . . . 0.0 109.85 -179.418 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 607' ' ' THR . . . . . . . . . . . . . 62.9 p -60.73 11.07 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.987 -1.071 . . . . 0.0 111.159 -179.147 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 608' ' ' HIS . . . . . 0.552 ' H ' ' C ' ' B' ' 606' ' ' THR . 1.9 m-70 -68.42 151.46 97.21 Favored Pre-proline 0 N--CA 1.49 1.558 0 O-C-N 120.634 -1.291 . . . . 0.0 107.558 179.044 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 609' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -58.44 -33.52 97.98 Favored 'Trans proline' 0 C--N 1.32 -0.967 0 N-CA-C 108.893 -1.233 . . . . 0.0 108.893 -179.573 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 610' ' ' LYS . . . . . 0.431 ' NZ ' ' CB ' ' B' ' 610' ' ' LYS . 2.8 ttmp? -172.57 132.82 0.59 Allowed 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 611' ' ' TYR . . . . . 0.431 ' O ' ' O ' ' B' ' 610' ' ' LYS . 0.2 OUTLIER -55.56 -169.48 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.054 -1.029 . . . . 0.0 108.785 -179.745 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 612' ' ' SER . . . . . . . . . . . . . 4.6 t -178.74 -81.41 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.195 -0.941 . . . . 0.0 109.58 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 613' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -172.43 78.3 0.05 OUTLIER 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.178 -0.951 . . . . 0.0 109.914 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 614' ' ' ILE . . . . . 0.566 ' CG2' ' H ' ' B' ' 615' ' ' ASP . 68.4 mt -97.26 -179.78 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.911 0 O-C-N 121.307 -0.871 . . . . 0.0 109.225 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 615' ' ' ASP . . . . . 0.566 ' H ' ' CG2' ' B' ' 614' ' ' ILE . 75.9 m-20 -118.91 106.44 12.48 Favored 'General case' 0 N--CA 1.495 1.798 0 N-CA-C 108.153 -1.055 . . . . 0.0 108.153 179.327 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 616' ' ' VAL . . . . . . . . . . . . . 17.5 t -80.27 -16.77 12.72 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.623 0 O-C-N 121.426 -0.796 . . . . 0.0 109.169 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 617' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -72.74 -46.65 52.42 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.323 -0.861 . . . . 0.0 110.672 -178.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 618' ' ' GLY . . . . . . . . . . . . . . . -69.35 -41.99 76.16 Favored Glycine 0 N--CA 1.492 2.379 0 N-CA-C 109.568 -1.413 . . . . 0.0 109.568 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 619' ' ' LEU . . . . . . . . . . . . . 20.5 tp -61.95 -22.57 65.74 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.283 -1.128 . . . . 0.0 108.622 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 620' ' ' CYS . . . . . . . . . . . . . 19.1 t -73.37 -48.82 31.02 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.124 -0.985 . . . . 0.0 110.898 -179.47 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 24.9 m -80.78 0.13 36.14 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 120.83 -1.169 . . . . 0.0 109.356 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 622' ' ' GLU . . . . . 0.482 ' OE2' ' NZ ' ' B' ' 626' ' ' LYS . 5.7 tp10 -98.24 -48.81 4.94 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.549 -0.719 . . . . 0.0 110.047 178.88 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 623' ' ' LEU . . . . . . . . . . . . . 14.4 mt -85.73 -19.26 31.08 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 120.312 -1.492 . . . . 0.0 110.119 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 624' ' ' MET . . . . . . . . . . . . . 28.3 ttt -73.33 -30.26 63.23 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.128 -0.983 . . . . 0.0 111.679 -178.308 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 625' ' ' ALA . . . . . . . . . . . . . . . -103.94 -5.86 21.84 Favored 'General case' 0 N--CA 1.506 2.339 0 O-C-N 120.8 -1.188 . . . . 0.0 109.752 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 626' ' ' LYS . . . . . 0.482 ' NZ ' ' OE2' ' B' ' 622' ' ' GLU . 42.7 mttp -89.01 -9.31 51.84 Favored 'General case' 0 N--CA 1.492 1.645 0 N-CA-C 106.066 -1.827 . . . . 0.0 106.066 176.271 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 627' ' ' ALA . . . . . . . . . . . . . . . -42.71 140.65 1.24 Allowed 'General case' 0 N--CA 1.491 1.585 0 CA-C-N 115.268 -0.878 . . . . 0.0 111.108 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 628' ' ' LYS . . . . . . . . . . . . . 44.2 mtmt -120.78 92.39 3.75 Favored 'General case' 0 N--CA 1.498 1.947 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 178.587 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 629' ' ' CYS . . . . . . . . . . . . . 1.3 m -51.3 117.38 2.56 Favored 'General case' 0 N--CA 1.494 1.768 0 CA-C-O 122.25 1.024 . . . . 0.0 111.748 -177.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 630' ' ' SER . . . . . . . . . . . . . 31.1 t -142.79 158.23 43.84 Favored 'General case' 0 N--CA 1.496 1.832 0 N-CA-C 107.391 -1.337 . . . . 0.0 107.391 177.702 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 631' ' ' GLU . . . . . 0.549 ' C ' ' H ' ' B' ' 633' ' ' GLY . 12.4 pm0 -62.88 -23.56 67.38 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.247 -1.533 . . . . 0.0 109.806 -179.42 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 51.2 ttt180 -78.52 34.27 0.21 Allowed 'General case' 0 N--CA 1.491 1.598 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 178.149 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 633' ' ' GLY . . . . . 0.549 ' H ' ' C ' ' B' ' 631' ' ' GLU . . . 73.54 -171.89 51.16 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 107.476 -2.25 . . . . 0.0 107.476 -178.416 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 634' ' ' VAL . . . . . . . . . . . . . 7.1 p -76.71 140.34 17.34 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.385 0 O-C-N 120.341 -1.682 . . . . 0.0 109.22 179.253 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 15.8 m -133.16 135.86 56.02 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.121 0 O-C-N 121.117 -0.99 . . . . 0.0 109.598 179.052 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 636' ' ' ILE . . . . . . . . . . . . . 95.2 mt -133.26 156.88 42.42 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.835 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 -179.576 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 637' ' ' ASN . . . . . 0.514 ' C ' ' H ' ' B' ' 639' ' ' GLU . 5.8 m120 -87.17 126.08 34.57 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.882 -1.136 . . . . 0.0 110.887 -179.188 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -48.29 -10.46 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.881 -0.512 . . . . 0.0 109.854 178.46 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 639' ' ' GLU . . . . . 0.514 ' H ' ' C ' ' B' ' 637' ' ' ASN . 37.8 tt0 -74.94 -17.39 60.56 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.028 -1.045 . . . . 0.0 109.331 179.165 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 640' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -87.96 -41.53 13.08 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 120.59 -1.319 . . . . 0.0 108.729 177.655 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 641' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -70.38 -34.98 60.35 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.901 0 O-C-N 120.857 -1.152 . . . . 0.0 108.802 179.024 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 642' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -70.32 -38.54 74.92 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.347 -0.845 . . . . 0.0 109.717 -179.673 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 643' ' ' LEU . . . . . . . . . . . . . 88.1 mt -83.63 -19.15 35.95 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.013 -1.054 . . . . 0.0 108.865 178.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 644' ' ' ALA . . . . . . . . . . . . . . . -86.79 -53.14 5.09 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.908 -1.12 . . . . 0.0 108.066 178.01 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 645' ' ' LEU . . . . . 0.535 ' O ' ' N ' ' B' ' 647' ' ' LYS . 86.3 mt -56.22 -70.09 0.13 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.312 -0.868 . . . . 0.0 109.194 178.419 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 646' ' ' ASN . . . . . . . . . . . . . 33.7 p-10 -47.57 -9.79 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.944 -1.097 . . . . 0.0 110.948 -178.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 647' ' ' LYS . . . . . 0.535 ' N ' ' O ' ' B' ' 645' ' ' LEU . 22.7 ttmt -100.96 174.24 6.11 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.075 -1.016 . . . . 0.0 109.785 -179.502 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 648' ' ' HIS . . . . . 0.514 ' H ' ' CG ' ' B' ' 647' ' ' LYS . 63.4 m-70 55.71 9.59 0.44 Allowed 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 -179.713 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 649' ' ' MET . . . . . 0.466 ' H ' ' C ' ' B' ' 647' ' ' LYS . 13.4 ttm -94.23 144.2 25.72 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.554 -0.716 . . . . 0.0 109.563 -179.099 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 650' ' ' ASN . . . . . 0.411 ' ND2' ' O ' ' B' ' 649' ' ' MET . 22.3 m120 . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 117.95 -1.024 . . . . 0.0 109.369 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 301' ' ' GLU . . . . . . . . . . . . . 21.0 pt-20 . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 302' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -61.83 -64.76 0.84 Allowed 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.563 -0.71 . . . . 0.0 109.298 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 303' ' ' CYS . . . . . . . . . . . . . 19.9 t -76.54 -48.1 20.49 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.191 -0.943 . . . . 0.0 110.624 -179.455 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 16.2 m -51.7 -20.16 1.95 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.291 -0.881 . . . . 0.0 111.142 -178.751 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -102.97 -19.17 14.69 Favored 'General case' 0 N--CA 1.504 2.259 0 O-C-N 120.947 -1.096 . . . . 0.0 108.78 178.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 306' ' ' MET . . . . . . . . . . . . . 19.8 mmm -70.06 -23.44 63.08 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 107.662 -1.236 . . . . 0.0 107.662 177.408 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 307' ' ' ASN . . . . . 0.438 ' O ' ' C ' ' A' ' 308' ' ' GLN . 3.9 m-80 -91.82 -37.48 12.92 Favored 'General case' 0 N--CA 1.499 2.003 0 N-CA-C 106.931 -1.507 . . . . 0.0 106.931 178.899 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 308' ' ' GLN . . . . . 0.541 ' O ' ' N ' ' A' ' 310' ' ' CYS . 29.2 tt0 -35.64 -38.71 0.12 Allowed 'General case' 0 N--CA 1.506 2.347 0 CA-C-O 121.748 0.785 . . . . 0.0 109.255 178.321 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 309' ' ' VAL . . . . . 0.482 HG21 ' O ' ' B' ' 624' ' ' MET . 48.6 t -46.8 -12.42 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.775 0 CA-C-O 121.526 0.679 . . . . 0.0 109.759 179.377 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 310' ' ' CYS . . . . . 0.541 ' N ' ' O ' ' A' ' 308' ' ' GLN . 4.2 t -73.63 9.9 1.27 Allowed 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.512 -0.743 . . . . 0.0 109.547 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 311' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.314 0 N-CA-C 109.412 -1.475 . . . . 0.0 109.412 179.898 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 593' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.233 0 N-CA-C 109.315 -1.514 . . . . 0.0 109.315 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 594' ' ' SER . . . . . . . . . . . . . 74.4 m -82.27 164.55 21.08 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.223 -1.163 . . . . 0.0 109.987 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 595' ' ' LEU . . . . . . . . . . . . . 5.4 tt -94.06 117.54 30.24 Favored 'General case' 0 C--N 1.299 -1.605 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 596' ' ' LEU . . . . . 0.631 ' H ' HD12 ' B' ' 596' ' ' LEU . 0.0 OUTLIER -131.04 161.63 31.6 Favored 'General case' 0 N--CA 1.504 2.256 0 O-C-N 121.372 -0.83 . . . . 0.0 109.206 -179.834 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 597' ' ' ARG . . . . . 0.488 ' H ' ' CB ' ' B' ' 600' ' ' GLU . 0.9 OUTLIER -109.99 -156.17 0.58 Allowed 'General case' 0 N--CA 1.504 2.228 0 CA-C-O 121.687 0.756 . . . . 0.0 111.216 -178.864 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 598' ' ' CYS . . . . . 0.53 ' O ' ' N ' ' B' ' 600' ' ' GLU . 7.1 p -59.02 -105.39 0.0 OUTLIER 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.734 -0.604 . . . . 0.0 111.777 -178.046 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 599' ' ' SER . . . . . 0.528 ' O ' ' N ' ' B' ' 602' ' ' TRP . 14.5 t -44.21 -18.12 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.853 0 CA-C-O 121.852 0.834 . . . . 0.0 109.593 -178.719 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 600' ' ' GLU . . . . . 0.53 ' N ' ' O ' ' B' ' 598' ' ' CYS . 5.4 tp10 -47.63 -38.13 14.09 Favored 'General case' 0 C--N 1.301 -1.508 0 CA-C-O 122.733 1.254 . . . . 0.0 108.108 179.182 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 601' ' ' ILE . . . . . 0.574 ' O ' ' N ' ' B' ' 604' ' ' ARG . 1.3 mp -69.47 -32.04 51.49 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.07 0 N-CA-C 107.423 -1.325 . . . . 0.0 107.423 -179.323 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 602' ' ' TRP . . . . . 0.528 ' N ' ' O ' ' B' ' 599' ' ' SER . 59.4 t-105 -45.46 -36.77 4.63 Favored 'General case' 0 N--CA 1.495 1.809 0 N-CA-C 107.228 -1.397 . . . . 0.0 107.228 179.266 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 603' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -68.12 -43.55 78.15 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 107.5 -1.296 . . . . 0.0 107.5 177.33 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 604' ' ' ARG . . . . . 0.574 ' N ' ' O ' ' B' ' 601' ' ' ILE . 4.7 tpp180 -55.76 -50.47 70.34 Favored 'General case' 0 N--CA 1.497 1.923 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 178.513 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 605' ' ' ILE . . . . . . . . . . . . . 25.7 mm -46.98 -46.6 8.44 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.993 0 O-C-N 121.65 -0.656 . . . . 0.0 109.922 178.677 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 606' ' ' THR . . . . . . . . . . . . . 75.1 p . . . . . 0 C--N 1.297 -1.682 0 O-C-N 120.618 -1.301 . . . . 0.0 110.493 -178.893 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 614' ' ' ILE . . . . . 0.573 HG22 ' N ' ' B' ' 615' ' ' ASP . 77.3 mt . . . . . 0 N--CA 1.495 1.793 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 615' ' ' ASP . . . . . 0.573 ' N ' HG22 ' B' ' 614' ' ' ILE . 30.6 p-10 -119.9 117.52 28.33 Favored 'General case' 0 N--CA 1.495 1.8 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 179.364 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 616' ' ' VAL . . . . . . . . . . . . . 27.7 m -77.95 -16.79 14.02 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.389 -0.819 . . . . 0.0 108.988 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 617' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -75.07 -36.47 61.77 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.381 -0.824 . . . . 0.0 109.592 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 618' ' ' GLY . . . . . . . . . . . . . . . -67.27 -36.86 90.33 Favored Glycine 0 N--CA 1.488 2.162 0 N-CA-C 109.667 -1.373 . . . . 0.0 109.667 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 619' ' ' LEU . . . . . 0.424 HD13 HD21 ' B' ' 645' ' ' LEU . 3.5 mt -65.53 -29.34 69.96 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.016 -1.285 . . . . 0.0 108.109 179.516 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 620' ' ' CYS . . . . . . . . . . . . . 49.2 t -64.86 -52.72 55.09 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.599 -0.688 . . . . 0.0 110.702 -179.475 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 35.2 t -81.54 -2.78 51.2 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 120.433 -1.417 . . . . 0.0 110.123 -179.458 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 622' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -100.44 -43.29 6.27 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.134 -0.979 . . . . 0.0 109.273 178.235 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 623' ' ' LEU . . . . . . . . . . . . . 10.0 mp -87.51 -19.48 27.87 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 120.55 -1.344 . . . . 0.0 110.02 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 624' ' ' MET . . . . . 0.482 ' O ' HG21 ' A' ' 309' ' ' VAL . 0.8 OUTLIER -75.84 -27.87 58.01 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 120.775 -1.203 . . . . 0.0 111.643 -178.043 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 625' ' ' ALA . . . . . . . . . . . . . . . -101.89 -5.1 25.15 Favored 'General case' 0 N--CA 1.506 2.371 0 O-C-N 120.631 -1.293 . . . . 0.0 109.184 179.557 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 626' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -95.65 -12.39 25.64 Favored 'General case' 0 N--CA 1.493 1.716 0 N-CA-C 105.451 -2.055 . . . . 0.0 105.451 175.691 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 627' ' ' ALA . . . . . . . . . . . . . . . -48.65 145.05 3.87 Favored 'General case' 0 N--CA 1.492 1.635 0 CA-C-N 115.318 -0.855 . . . . 0.0 111.082 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 628' ' ' LYS . . . . . . . . . . . . . 44.4 mtpt -126.02 89.22 2.98 Favored 'General case' 0 N--CA 1.497 1.9 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 179.052 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 629' ' ' CYS . . . . . . . . . . . . . 18.2 t -49.28 120.7 4.24 Favored 'General case' 0 N--CA 1.494 1.734 0 CA-C-O 122.309 1.052 . . . . 0.0 111.376 -178.326 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 630' ' ' SER . . . . . . . . . . . . . 31.1 m -143.28 161.31 38.63 Favored 'General case' 0 N--CA 1.495 1.781 0 N-CA-C 107.861 -1.162 . . . . 0.0 107.861 178.577 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 631' ' ' GLU . . . . . 0.495 ' C ' ' H ' ' B' ' 633' ' ' GLY . 43.3 mm-40 -62.23 -24.61 67.35 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.477 -1.39 . . . . 0.0 109.0 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 56.6 mtp180 -80.39 33.25 0.29 Allowed 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 107.363 -1.347 . . . . 0.0 107.363 177.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 633' ' ' GLY . . . . . 0.495 ' H ' ' C ' ' B' ' 631' ' ' GLU . . . 71.14 -170.55 47.38 Favored Glycine 0 N--CA 1.488 2.149 0 N-CA-C 107.731 -2.148 . . . . 0.0 107.731 -178.441 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 634' ' ' VAL . . . . . . . . . . . . . 7.5 p -73.88 139.04 20.0 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.451 0 O-C-N 120.601 -1.529 . . . . 0.0 109.276 179.372 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 26.0 m -133.25 136.13 55.45 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.13 0 O-C-N 121.175 -0.953 . . . . 0.0 109.669 179.535 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 636' ' ' ILE . . . . . 0.412 HG22 ' N ' ' B' ' 637' ' ' ASN . 96.3 mt -134.97 154.74 37.0 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.847 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 -179.796 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 637' ' ' ASN . . . . . 0.412 ' N ' HG22 ' B' ' 636' ' ' ILE . 3.7 m120 -81.56 132.38 35.31 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.099 -1.001 . . . . 0.0 110.122 -179.803 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -52.38 -10.57 0.15 Allowed 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.653 -0.655 . . . . 0.0 110.309 179.621 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 639' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -77.72 -19.76 54.69 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.837 -1.164 . . . . 0.0 109.526 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 640' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -88.65 -37.09 15.86 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 120.596 -1.315 . . . . 0.0 108.674 177.758 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 641' ' ' VAL . . . . . . . . . . . . . 2.1 m -76.0 -27.31 18.07 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.745 0 O-C-N 121.079 -1.013 . . . . 0.0 109.059 179.001 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 642' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -76.9 -33.51 57.78 Favored 'General case' 0 N--CA 1.491 1.625 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 178.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 643' ' ' LEU . . . . . . . . . . . . . 90.0 mt -85.33 -21.76 28.79 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.233 -0.917 . . . . 0.0 108.679 178.56 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 644' ' ' ALA . . . . . . . . . . . . . . . -85.65 -28.06 24.99 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.97 -1.081 . . . . 0.0 108.284 178.209 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 645' ' ' LEU . . . . . 0.424 HD21 HD13 ' B' ' 619' ' ' LEU . 66.0 mt -87.59 -23.33 24.34 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.444 -0.785 . . . . 0.0 109.455 179.259 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 646' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -94.1 -13.24 27.02 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.984 -1.073 . . . . 0.0 110.846 -179.088 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 647' ' ' LYS . . . . . . . . . . . . . 18.5 ptmt -91.37 -9.33 45.21 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 120.654 -1.279 . . . . 0.0 109.906 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 648' ' ' HIS . . . . . . . . . . . . . 40.2 m-70 -111.76 18.13 19.22 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.453 -0.779 . . . . 0.0 109.479 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 649' ' ' MET . . . . . . . . . . . . . 40.3 tpp -96.15 99.7 11.42 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.209 -0.932 . . . . 0.0 109.386 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 650' ' ' ASN . . . . . . . . . . . . . 12.9 m120 . . . . . 0 N--CA 1.491 1.609 0 CA-C-O 118.024 -0.989 . . . . 0.0 109.432 179.933 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 301' ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 . . . . . 0 N--CA 1.477 0.908 0 N-CA-C 108.423 -0.955 . . . . 0.0 108.423 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 302' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -67.72 -58.46 4.6 Favored 'General case' 0 C--N 1.306 -1.291 0 C-N-CA 119.093 -1.043 . . . . 0.0 109.376 -178.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 303' ' ' CYS . . . . . 0.498 ' SG ' ' OG ' ' B' ' 599' ' ' SER . 58.3 m -79.29 -51.6 9.23 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.253 -0.904 . . . . 0.0 110.117 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 19.2 t -48.26 -26.77 2.12 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.35 -0.844 . . . . 0.0 111.076 -178.63 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . 24.3 mtpp -102.09 -13.89 17.32 Favored 'General case' 0 N--CA 1.502 2.166 0 O-C-N 120.873 -1.142 . . . . 0.0 108.972 178.708 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 306' ' ' MET . . . . . . . . . . . . . 5.7 tpp -72.4 -27.07 62.13 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 120.55 -1.344 . . . . 0.0 107.507 177.029 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 307' ' ' ASN . . . . . 0.486 ' O ' ' N ' ' A' ' 310' ' ' CYS . 1.2 p-10 -86.42 -38.15 17.64 Favored 'General case' 0 N--CA 1.498 1.944 0 N-CA-C 106.734 -1.58 . . . . 0.0 106.734 178.901 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 308' ' ' GLN . . . . . 0.524 ' O ' ' N ' ' A' ' 311' ' ' GLY . 9.0 tp-100 -37.36 -41.16 0.4 Allowed 'General case' 0 N--CA 1.503 2.224 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 178.735 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 309' ' ' VAL . . . . . . . . . . . . . 15.1 t -46.73 -16.74 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.961 0 CA-C-O 122.081 0.944 . . . . 0.0 109.05 179.155 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 310' ' ' CYS . . . . . 0.515 ' N ' ' O ' ' A' ' 308' ' ' GLN . 54.5 m -93.1 -20.61 20.35 Favored 'General case' 0 C--N 1.303 -1.414 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.907 -179.162 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 311' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' A' ' 308' ' ' GLN . . . . . . . . 0 N--CA 1.491 2.338 0 N-CA-C 109.462 -1.455 . . . . 0.0 109.462 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 593' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.148 0 N-CA-C 108.976 -1.65 . . . . 0.0 108.976 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 594' ' ' SER . . . . . 0.401 ' C ' HD12 ' B' ' 595' ' ' LEU . 69.6 m -108.77 164.51 12.32 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.444 -1.033 . . . . 0.0 110.0 179.788 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 595' ' ' LEU . . . . . 0.573 ' N ' HD12 ' B' ' 595' ' ' LEU . 8.4 mp -94.28 117.99 30.92 Favored 'General case' 0 C--N 1.3 -1.565 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 596' ' ' LEU . . . . . 0.594 ' H ' HD12 ' B' ' 596' ' ' LEU . 0.0 OUTLIER -128.93 146.67 50.89 Favored 'General case' 0 N--CA 1.505 2.279 0 O-C-N 121.343 -0.848 . . . . 0.0 108.85 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 597' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -86.67 -164.99 1.15 Allowed 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.259 -0.9 . . . . 0.0 109.858 -179.405 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 598' ' ' CYS . . . . . 0.493 ' O ' ' N ' ' B' ' 600' ' ' GLU . 5.2 p -67.93 -88.38 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.3 -0.875 . . . . 0.0 111.142 -178.436 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 599' ' ' SER . . . . . 0.498 ' OG ' ' SG ' ' A' ' 303' ' ' CYS . 1.4 m -44.69 -21.35 0.05 Allowed 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.042 -1.036 . . . . 0.0 109.206 -179.432 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 600' ' ' GLU . . . . . 0.493 ' N ' ' O ' ' B' ' 598' ' ' CYS . 5.0 tp10 -46.63 -39.92 12.12 Favored 'General case' 0 C--N 1.299 -1.605 0 CA-C-O 122.332 1.063 . . . . 0.0 108.633 179.354 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 601' ' ' ILE . . . . . 0.558 ' O ' ' N ' ' B' ' 604' ' ' ARG . 1.4 mp -69.89 -32.0 50.14 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.065 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 -178.54 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 602' ' ' TRP . . . . . 0.461 ' N ' ' O ' ' B' ' 599' ' ' SER . 17.7 t-105 -45.23 -38.15 5.22 Favored 'General case' 0 N--CA 1.493 1.698 0 N-CA-C 107.452 -1.314 . . . . 0.0 107.452 179.399 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 603' ' ' ASP . . . . . 0.432 ' O ' ' OG1' ' B' ' 606' ' ' THR . 39.9 t0 -68.07 -43.22 79.06 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 107.637 -1.246 . . . . 0.0 107.637 177.394 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 604' ' ' ARG . . . . . 0.558 ' N ' ' O ' ' B' ' 601' ' ' ILE . 25.4 mmt180 -55.4 -31.41 61.81 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.115 -0.991 . . . . 0.0 108.676 178.651 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 605' ' ' ILE . . . . . 0.401 ' O ' ' C ' ' B' ' 606' ' ' THR . 51.9 mt -80.76 -45.83 21.29 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.93 0 O-C-N 121.532 -0.73 . . . . 0.0 110.416 179.642 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 606' ' ' THR . . . . . 0.432 ' OG1' ' O ' ' B' ' 603' ' ' ASP . 16.4 p . . . . . 0 N--CA 1.497 1.92 0 O-C-N 121.28 -0.887 . . . . 0.0 110.189 -179.032 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 614' ' ' ILE . . . . . . . . . . . . . 5.0 mt . . . . . 0 N--CA 1.498 1.932 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 615' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 57.59 90.64 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.915 -1.116 . . . . 0.0 109.071 -179.543 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 616' ' ' VAL . . . . . . . . . . . . . 47.0 t -78.36 -16.74 13.77 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 CA-C-O 121.755 0.788 . . . . 0.0 108.94 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 617' ' ' ASP . . . . . 0.415 ' O ' ' SG ' ' B' ' 620' ' ' CYS . 1.4 m-20 -74.61 -32.72 62.42 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.427 -0.795 . . . . 0.0 109.301 179.516 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 618' ' ' GLY . . . . . 0.423 ' O ' ' OE1' ' B' ' 622' ' ' GLU . . . -68.68 -34.52 78.46 Favored Glycine 0 N--CA 1.49 2.233 0 N-CA-C 109.672 -1.371 . . . . 0.0 109.672 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 619' ' ' LEU . . . . . 0.483 HD13 HD21 ' B' ' 645' ' ' LEU . 1.9 mt -68.17 -28.98 67.75 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.025 -1.28 . . . . 0.0 108.547 179.796 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 620' ' ' CYS . . . . . 0.581 ' SG ' ' N ' ' B' ' 621' ' ' SER . 1.5 p -65.99 -47.56 74.14 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.236 -0.915 . . . . 0.0 110.479 -179.65 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 621' ' ' SER . . . . . 0.581 ' N ' ' SG ' ' B' ' 620' ' ' CYS . 34.9 t -83.01 -2.12 54.43 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 120.489 -1.382 . . . . 0.0 110.423 -179.344 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 622' ' ' GLU . . . . . 0.492 ' OE2' ' CE1' ' B' ' 648' ' ' HIS . 34.0 mt-10 -99.78 -43.99 6.24 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.007 -1.058 . . . . 0.0 109.135 177.718 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 623' ' ' LEU . . . . . 0.402 HD12 ' N ' ' B' ' 623' ' ' LEU . 8.3 mp -86.43 -20.76 27.7 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 120.994 -1.066 . . . . 0.0 110.277 -179.719 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 624' ' ' MET . . . . . . . . . . . . . 10.3 ttt -72.33 -28.76 63.26 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 120.845 -1.159 . . . . 0.0 111.818 -178.153 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 625' ' ' ALA . . . . . . . . . . . . . . . -105.32 -4.74 21.19 Favored 'General case' 0 N--CA 1.505 2.322 0 O-C-N 120.694 -1.254 . . . . 0.0 109.632 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 626' ' ' LYS . . . . . . . . . . . . . 53.7 mmtt -91.29 -13.72 32.14 Favored 'General case' 0 N--CA 1.492 1.636 0 N-CA-C 106.336 -1.727 . . . . 0.0 106.336 176.358 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 627' ' ' ALA . . . . . . . . . . . . . . . -45.15 136.18 5.16 Favored 'General case' 0 N--CA 1.491 1.618 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.171 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 628' ' ' LYS . . . . . . . . . . . . . 5.2 mtpm? -113.52 92.05 3.86 Favored 'General case' 0 N--CA 1.498 1.968 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 178.362 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 629' ' ' CYS . . . . . . . . . . . . . 81.6 m -53.53 119.41 4.83 Favored 'General case' 0 N--CA 1.493 1.694 0 CA-C-O 122.459 1.123 . . . . 0.0 111.829 -177.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 630' ' ' SER . . . . . . . . . . . . . 48.2 t -142.88 160.06 41.05 Favored 'General case' 0 N--CA 1.493 1.72 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 178.316 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 631' ' ' GLU . . . . . 0.506 ' C ' ' H ' ' B' ' 633' ' ' GLY . 40.8 mt-10 -64.28 -22.46 66.96 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.34 -1.475 . . . . 0.0 109.365 -179.686 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 632' ' ' ARG . . . . . 0.542 HH11 ' CG ' ' B' ' 632' ' ' ARG . 0.3 OUTLIER -79.47 33.68 0.25 Allowed 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 107.572 -1.27 . . . . 0.0 107.572 178.125 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 633' ' ' GLY . . . . . 0.506 ' H ' ' C ' ' B' ' 631' ' ' GLU . . . 73.1 -170.67 51.82 Favored Glycine 0 N--CA 1.49 2.285 0 N-CA-C 107.531 -2.227 . . . . 0.0 107.531 -178.489 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 634' ' ' VAL . . . . . . . . . . . . . 7.1 p -77.32 141.16 15.96 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.43 0 O-C-N 120.423 -1.634 . . . . 0.0 109.631 179.613 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 33.6 m -135.87 140.34 44.36 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.965 0 O-C-N 121.23 -0.919 . . . . 0.0 109.24 179.116 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 636' ' ' ILE . . . . . 0.54 ' O ' HD12 ' B' ' 596' ' ' LEU . 95.8 mt -133.75 154.67 38.86 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.893 0 O-C-N 121.439 -0.788 . . . . 0.0 109.209 -179.383 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 637' ' ' ASN . . . . . 0.522 ' O ' ' N ' ' B' ' 639' ' ' GLU . 9.8 p30 -85.84 129.47 34.82 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.095 -1.003 . . . . 0.0 109.819 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -46.83 -10.64 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.759 -0.588 . . . . 0.0 110.827 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 639' ' ' GLU . . . . . 0.522 ' N ' ' O ' ' B' ' 637' ' ' ASN . 34.3 tt0 -78.27 -18.54 55.16 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.887 -1.133 . . . . 0.0 110.089 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 640' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -86.54 -50.92 6.49 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 120.359 -1.463 . . . . 0.0 108.724 178.066 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 641' ' ' VAL . . . . . 0.413 ' H ' HG12 ' B' ' 641' ' ' VAL . 0.8 OUTLIER -60.82 -46.66 95.81 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 120.851 -1.156 . . . . 0.0 108.578 178.671 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 642' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -57.98 -36.41 72.58 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.0 -1.063 . . . . 0.0 109.52 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 643' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -83.5 -20.3 34.21 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.17 -0.957 . . . . 0.0 108.65 178.69 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 644' ' ' ALA . . . . . . . . . . . . . . . -87.54 -33.14 19.04 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.905 -1.122 . . . . 0.0 108.913 178.385 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 645' ' ' LEU . . . . . 0.534 ' O ' ' N ' ' B' ' 647' ' ' LYS . 34.7 mt -84.72 -69.54 0.64 Allowed 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.156 -0.965 . . . . 0.0 109.185 179.317 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 646' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -45.9 -14.23 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.215 -0.928 . . . . 0.0 110.367 -179.182 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 647' ' ' LYS . . . . . 0.534 ' N ' ' O ' ' B' ' 645' ' ' LEU . 79.0 tttt -97.4 -9.82 26.64 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.003 -1.061 . . . . 0.0 109.709 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 648' ' ' HIS . . . . . 0.492 ' CE1' ' OE2' ' B' ' 622' ' ' GLU . 0.3 OUTLIER -111.25 12.77 21.74 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.422 -0.799 . . . . 0.0 109.49 -179.888 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 649' ' ' MET . . . . . . . . . . . . . 36.9 tpp -96.92 133.57 41.38 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.189 -0.945 . . . . 0.0 109.447 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 650' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 . . . . . 0 N--CA 1.49 1.555 0 CA-C-O 118.057 -0.973 . . . . 0.0 109.47 179.968 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 301' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 . . . . . 0 N--CA 1.491 1.619 0 CA-C-O 121.677 0.751 . . . . 0.0 109.317 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 302' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -65.02 -58.73 5.34 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.279 -0.888 . . . . 0.0 109.512 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 303' ' ' CYS . . . . . . . . . . . . . 60.9 m -84.75 -42.87 14.79 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.348 -0.845 . . . . 0.0 110.396 -179.49 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 40.2 t -54.2 -25.13 21.19 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.22 -0.925 . . . . 0.0 110.0 -179.413 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . 9.7 tmtt? -97.09 -22.18 16.93 Favored 'General case' 0 N--CA 1.5 2.068 0 N-CA-C 107.046 -1.464 . . . . 0.0 107.046 178.22 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 306' ' ' MET . . . . . 0.516 ' O ' HG22 ' A' ' 309' ' ' VAL . 15.3 ttt -70.45 -19.61 62.95 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 106.941 -1.503 . . . . 0.0 106.941 176.398 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 307' ' ' ASN . . . . . 0.437 ' O ' ' C ' ' A' ' 308' ' ' GLN . 87.9 m-20 -82.96 -38.29 22.94 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 106.076 -1.824 . . . . 0.0 106.076 178.339 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 308' ' ' GLN . . . . . 0.534 ' O ' ' N ' ' A' ' 310' ' ' CYS . 6.5 tp-100 -36.99 -41.41 0.34 Allowed 'General case' 0 N--CA 1.507 2.415 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 178.605 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 309' ' ' VAL . . . . . 0.516 HG22 ' O ' ' A' ' 306' ' ' MET . 10.3 m -43.03 -20.36 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.501 2.122 0 CA-C-O 122.055 0.931 . . . . 0.0 109.104 178.656 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 310' ' ' CYS . . . . . 0.534 ' N ' ' O ' ' A' ' 308' ' ' GLN . 67.9 m -102.02 -31.67 10.54 Favored 'General case' 0 N--CA 1.488 1.466 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.564 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 311' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 308' ' ' GLN . . . . . . . . 0 N--CA 1.492 2.394 0 N-CA-C 109.695 -1.362 . . . . 0.0 109.695 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 593' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.299 0 N-CA-C 109.192 -1.563 . . . . 0.0 109.192 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 594' ' ' SER . . . . . 0.414 ' C ' HD22 ' B' ' 595' ' ' LEU . 60.6 m -81.16 166.61 20.5 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.194 -1.18 . . . . 0.0 110.162 -179.773 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 595' ' ' LEU . . . . . 0.64 HD22 ' N ' ' B' ' 595' ' ' LEU . 3.6 mm? -94.2 125.53 38.9 Favored 'General case' 0 C--N 1.3 -1.581 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 179.591 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 596' ' ' LEU . . . . . . . . . . . . . 1.2 mp -128.27 154.33 46.01 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.295 -0.878 . . . . 0.0 109.623 -179.551 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 597' ' ' ARG . . . . . . . . . . . . . 86.3 mtt180 -102.14 -143.99 0.35 Allowed 'General case' 0 N--CA 1.501 2.105 0 O-C-N 121.473 -0.767 . . . . 0.0 111.42 -178.103 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 598' ' ' CYS . . . . . 0.593 ' SG ' ' N ' ' B' ' 599' ' ' SER . 12.5 t -75.98 -100.21 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.615 -0.678 . . . . 0.0 111.217 -178.217 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 599' ' ' SER . . . . . 0.593 ' N ' ' SG ' ' B' ' 598' ' ' CYS . 91.0 p -44.3 -19.89 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.951 0 CA-C-O 122.149 0.976 . . . . 0.0 109.377 -179.045 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 600' ' ' GLU . . . . . 0.517 ' N ' ' O ' ' B' ' 598' ' ' CYS . 11.9 tp10 -47.31 -40.28 16.65 Favored 'General case' 0 C--N 1.3 -1.557 0 CA-C-O 122.668 1.223 . . . . 0.0 108.392 178.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 601' ' ' ILE . . . . . 0.576 ' O ' ' N ' ' B' ' 604' ' ' ARG . 1.4 mp -68.87 -31.72 51.77 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.077 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -178.804 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 602' ' ' TRP . . . . . 0.464 ' N ' ' O ' ' B' ' 599' ' ' SER . 59.1 t-105 -45.37 -39.95 7.41 Favored 'General case' 0 N--CA 1.494 1.738 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 179.519 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 603' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -65.13 -42.6 93.73 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 107.432 -1.322 . . . . 0.0 107.432 177.351 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 604' ' ' ARG . . . . . 0.576 ' N ' ' O ' ' B' ' 601' ' ' ILE . 0.2 OUTLIER -56.24 -43.9 79.1 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.23 -0.918 . . . . 0.0 109.183 178.65 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 605' ' ' ILE . . . . . . . . . . . . . 19.8 mm -58.66 -47.17 89.61 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.922 0 O-C-N 121.431 -0.793 . . . . 0.0 110.246 179.259 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 606' ' ' THR . . . . . . . . . . . . . 68.7 p . . . . . 0 N--CA 1.493 1.706 0 O-C-N 120.747 -1.221 . . . . 0.0 110.394 -179.13 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 614' ' ' ILE . . . . . 0.581 HG22 ' N ' ' B' ' 615' ' ' ASP . 89.3 mt . . . . . 0 N--CA 1.497 1.889 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 615' ' ' ASP . . . . . 0.581 ' N ' HG22 ' B' ' 614' ' ' ILE . 65.1 m-20 -113.28 118.37 34.44 Favored 'General case' 0 N--CA 1.492 1.635 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 179.088 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 616' ' ' VAL . . . . . . . . . . . . . 79.4 t -76.18 -19.04 15.23 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.558 0 O-C-N 121.234 -0.916 . . . . 0.0 108.953 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 617' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.89 -41.05 23.69 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.324 -0.86 . . . . 0.0 110.072 -179.553 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 618' ' ' GLY . . . . . . . . . . . . . . . -69.24 -49.32 40.39 Favored Glycine 0 N--CA 1.489 2.215 0 N-CA-C 109.099 -1.601 . . . . 0.0 109.099 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 619' ' ' LEU . . . . . 0.686 ' C ' HD12 ' B' ' 619' ' ' LEU . 1.0 OUTLIER -64.36 -20.01 65.84 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.245 -1.15 . . . . 0.0 108.938 179.685 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 620' ' ' CYS . . . . . . . . . . . . . 10.2 t -72.69 -43.79 62.62 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.103 -0.998 . . . . 0.0 109.208 179.325 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 17.2 m -80.37 -0.34 36.51 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.016 -1.053 . . . . 0.0 108.661 179.144 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 622' ' ' GLU . . . . . . . . . . . . . 58.5 tt0 -97.52 -45.31 6.47 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.415 -0.803 . . . . 0.0 109.326 177.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 623' ' ' LEU . . . . . . . . . . . . . 9.6 mp -85.44 -27.92 25.41 Favored 'General case' 0 N--CA 1.501 2.08 0 O-C-N 120.614 -1.304 . . . . 0.0 109.858 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 624' ' ' MET . . . . . . . . . . . . . 23.7 ttm -64.09 -32.45 74.01 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.255 -0.903 . . . . 0.0 112.239 -177.756 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 625' ' ' ALA . . . . . . . . . . . . . . . -105.02 -5.87 20.54 Favored 'General case' 0 N--CA 1.507 2.382 0 O-C-N 120.818 -1.176 . . . . 0.0 110.001 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 626' ' ' LYS . . . . . . . . . . . . . 58.5 mmtt -88.67 -10.0 50.05 Favored 'General case' 0 N--CA 1.493 1.687 0 N-CA-C 106.041 -1.837 . . . . 0.0 106.041 176.175 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 627' ' ' ALA . . . . . . . . . . . . . . . -45.52 137.26 5.15 Favored 'General case' 0 N--CA 1.491 1.595 0 CA-C-N 115.246 -0.888 . . . . 0.0 111.435 -179.638 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 628' ' ' LYS . . . . . . . . . . . . . 27.7 mmtp -115.11 92.21 3.86 Favored 'General case' 0 N--CA 1.499 2.009 0 N-CA-C 107.915 -1.143 . . . . 0.0 107.915 178.411 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 629' ' ' CYS . . . . . . . . . . . . . 96.3 m -54.57 124.28 15.74 Favored 'General case' 0 N--CA 1.493 1.679 0 CA-C-O 122.491 1.139 . . . . 0.0 112.313 -177.647 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 630' ' ' SER . . . . . . . . . . . . . 43.4 t -143.04 159.24 42.63 Favored 'General case' 0 N--CA 1.491 1.61 0 N-CA-C 107.163 -1.421 . . . . 0.0 107.163 177.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 631' ' ' GLU . . . . . 0.619 ' H ' ' CD ' ' B' ' 631' ' ' GLU . 1.3 pm0 -63.27 -19.77 64.86 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.279 -1.513 . . . . 0.0 109.324 -179.576 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 90.9 mtt180 -81.63 33.86 0.37 Allowed 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 107.395 -1.335 . . . . 0.0 107.395 177.833 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 633' ' ' GLY . . . . . 0.477 ' H ' ' C ' ' B' ' 631' ' ' GLU . . . 73.65 -169.34 53.52 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 107.747 -2.141 . . . . 0.0 107.747 -178.448 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 634' ' ' VAL . . . . . . . . . . . . . 7.6 p -77.55 144.36 11.57 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.416 0 O-C-N 120.476 -1.602 . . . . 0.0 109.445 179.518 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 28.2 m -138.11 141.17 38.93 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.0 0 O-C-N 121.065 -1.022 . . . . 0.0 109.394 179.134 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 636' ' ' ILE . . . . . . . . . . . . . 88.4 mt -131.6 151.69 35.85 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.949 0 O-C-N 121.505 -0.747 . . . . 0.0 109.426 -179.525 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 637' ' ' ASN . . . . . 0.407 ' O ' ' N ' ' B' ' 639' ' ' GLU . 28.1 m-20 -86.39 133.23 33.8 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.214 -0.929 . . . . 0.0 109.455 179.794 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -48.92 -11.02 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.735 -0.603 . . . . 0.0 111.766 -179.14 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 639' ' ' GLU . . . . . 0.407 ' N ' ' O ' ' B' ' 637' ' ' ASN . 7.7 pt-20 -85.76 -21.81 28.02 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 120.543 -1.348 . . . . 0.0 111.338 -178.783 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 640' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -82.83 -38.82 22.52 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 120.228 -1.545 . . . . 0.0 108.051 178.56 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 641' ' ' VAL . . . . . 0.601 HG13 ' N ' ' B' ' 642' ' ' GLN . 7.0 p -71.91 -51.52 30.81 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.633 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 177.65 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 642' ' ' GLN . . . . . 0.601 ' N ' HG13 ' B' ' 641' ' ' VAL . 67.1 tp60 -48.73 -31.76 7.41 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.735 -1.228 . . . . 0.0 108.837 179.748 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 643' ' ' LEU . . . . . . . . . . . . . 68.8 mt -84.17 -17.71 39.06 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.081 -1.012 . . . . 0.0 108.872 177.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 644' ' ' ALA . . . . . 0.536 ' N ' ' O ' ' B' ' 641' ' ' VAL . . . -87.91 -32.77 18.77 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 120.828 -1.17 . . . . 0.0 109.351 178.536 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 645' ' ' LEU . . . . . . . . . . . . . 64.2 mt -87.24 -24.57 24.34 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.163 -0.96 . . . . 0.0 110.001 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 646' ' ' ASN . . . . . . . . . . . . . 37.9 t30 -91.23 -12.67 34.57 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 120.886 -1.133 . . . . 0.0 110.313 -179.548 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 647' ' ' LYS . . . . . . . . . . . . . 39.5 mttp -89.43 -4.79 57.86 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 120.877 -1.139 . . . . 0.0 109.248 179.629 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 648' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -112.84 18.97 17.77 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.442 -0.786 . . . . 0.0 109.58 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 649' ' ' MET . . . . . . . . . . . . . 44.2 mtt -96.29 122.74 39.49 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.143 -0.973 . . . . 0.0 109.345 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 650' ' ' ASN . . . . . . . . . . . . . 40.4 t30 . . . . . 0 N--CA 1.49 1.546 0 CA-C-O 118.002 -0.999 . . . . 0.0 109.464 -179.966 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 301' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 . . . . . 0 N--CA 1.487 1.414 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 302' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -63.03 -66.13 0.59 Allowed 'General case' 0 C--N 1.302 -1.467 0 C-N-CA 119.711 -0.796 . . . . 0.0 109.1 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 303' ' ' CYS . . . . . . . . . . . . . 16.5 t -83.4 -46.09 12.93 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.331 -0.856 . . . . 0.0 109.855 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 49.2 m -48.66 -26.59 2.36 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.355 -0.841 . . . . 0.0 110.17 -179.463 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . 58.3 tttm -102.26 -14.91 16.79 Favored 'General case' 0 N--CA 1.502 2.131 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 178.275 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 306' ' ' MET . . . . . . . . . . . . . 2.4 tpp -71.59 -25.74 62.31 Favored 'General case' 0 C--N 1.301 -1.537 0 N-CA-C 107.579 -1.267 . . . . 0.0 107.579 176.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 307' ' ' ASN . . . . . 0.433 ' O ' ' C ' ' A' ' 308' ' ' GLN . 88.7 m-20 -87.21 -39.28 15.6 Favored 'General case' 0 N--CA 1.494 1.734 0 N-CA-C 106.679 -1.6 . . . . 0.0 106.679 178.843 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 308' ' ' GLN . . . . . 0.542 ' O ' ' N ' ' A' ' 310' ' ' CYS . 8.5 tp-100 -36.27 -39.3 0.18 Allowed 'General case' 0 N--CA 1.505 2.277 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.486 178.898 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 309' ' ' VAL . . . . . 0.418 ' CG2' ' SD ' ' B' ' 624' ' ' MET . 38.6 t -46.85 -13.01 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.891 0 C-N-CA 119.905 -0.718 . . . . 0.0 109.644 179.46 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 310' ' ' CYS . . . . . 0.542 ' N ' ' O ' ' A' ' 308' ' ' GLN . 8.9 t -72.24 -47.95 46.48 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.391 -0.818 . . . . 0.0 109.541 179.343 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 311' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.396 0 N-CA-C 109.672 -1.371 . . . . 0.0 109.672 -179.916 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 593' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.213 0 N-CA-C 109.134 -1.586 . . . . 0.0 109.134 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 594' ' ' SER . . . . . . . . . . . . . 71.9 m -101.75 164.61 11.65 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.321 -1.105 . . . . 0.0 110.001 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 595' ' ' LEU . . . . . 0.502 ' N ' HD12 ' B' ' 595' ' ' LEU . 7.7 mp -95.83 120.05 35.4 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 596' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -128.12 155.47 44.37 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.432 -0.793 . . . . 0.0 109.407 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 597' ' ' ARG . . . . . . . . . . . . . 66.7 mtm180 -87.78 -174.66 4.84 Favored 'General case' 0 N--CA 1.492 1.67 0 CA-C-O 121.97 0.891 . . . . 0.0 110.896 -179.092 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 598' ' ' CYS . . . . . 0.526 ' O ' ' N ' ' B' ' 600' ' ' GLU . 4.5 p -53.74 -103.07 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.73 0 CA-C-O 121.48 0.657 . . . . 0.0 111.902 -177.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 6.5 t -43.46 -17.86 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.449 -0.782 . . . . 0.0 110.613 -178.116 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 600' ' ' GLU . . . . . 0.526 ' N ' ' O ' ' B' ' 598' ' ' CYS . 41.3 tt0 -53.43 -32.32 49.29 Favored 'General case' 0 C--N 1.302 -1.479 0 C-N-CA 118.62 -1.232 . . . . 0.0 107.954 -179.527 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 601' ' ' ILE . . . . . 0.572 ' O ' ' N ' ' B' ' 604' ' ' ARG . 1.0 OUTLIER -70.62 -40.29 76.95 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.294 0 N-CA-C 107.493 -1.299 . . . . 0.0 107.493 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 602' ' ' TRP . . . . . 0.4 ' C ' ' O ' ' B' ' 601' ' ' ILE . 27.2 t-105 -41.43 -38.27 1.22 Allowed 'General case' 0 N--CA 1.496 1.83 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 603' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -70.62 -41.79 71.77 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 178.079 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 604' ' ' ARG . . . . . 0.572 ' N ' ' O ' ' B' ' 601' ' ' ILE . 4.4 tpp180 -57.03 -22.31 37.86 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.603 -0.685 . . . . 0.0 110.529 179.667 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 605' ' ' ILE . . . . . . . . . . . . . 3.6 mt -88.68 -35.79 8.27 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.147 0 O-C-N 120.822 -1.174 . . . . 0.0 110.621 -177.848 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 606' ' ' THR . . . . . . . . . . . . . 57.9 p . . . . . 0 N--CA 1.492 1.641 0 O-C-N 121.425 -0.797 . . . . 0.0 110.185 -178.935 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 614' ' ' ILE . . . . . 0.57 HG22 ' N ' ' B' ' 615' ' ' ASP . 86.2 mt . . . . . 0 N--CA 1.492 1.658 0 CA-C-O 121.729 0.776 . . . . 0.0 110.853 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 615' ' ' ASP . . . . . 0.57 ' N ' HG22 ' B' ' 614' ' ' ILE . 0.9 OUTLIER -115.45 107.65 15.46 Favored 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 107.894 -1.15 . . . . 0.0 107.894 179.176 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 616' ' ' VAL . . . . . . . . . . . . . 4.2 p -75.22 -18.59 16.07 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.523 0 O-C-N 121.232 -0.918 . . . . 0.0 108.8 -179.713 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 617' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -81.05 -38.55 27.21 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.439 -0.788 . . . . 0.0 109.832 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 618' ' ' GLY . . . . . . . . . . . . . . . -70.06 -41.2 71.54 Favored Glycine 0 N--CA 1.489 2.226 0 N-CA-C 109.183 -1.567 . . . . 0.0 109.183 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 619' ' ' LEU . . . . . 0.709 HD12 ' C ' ' B' ' 619' ' ' LEU . 0.6 OUTLIER -68.47 -22.82 64.54 Favored 'General case' 0 N--CA 1.486 1.346 0 O-C-N 121.219 -1.165 . . . . 0.0 108.063 179.44 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 620' ' ' CYS . . . . . . . . . . . . . 44.6 t -69.66 -49.2 55.97 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.42 -0.8 . . . . 0.0 110.177 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 30.2 t -79.21 -4.96 53.09 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 120.913 -1.117 . . . . 0.0 109.61 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 622' ' ' GLU . . . . . . . . . . . . . 38.5 tp10 -101.39 -34.01 9.77 Favored 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 108.377 -0.972 . . . . 0.0 108.377 177.572 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 623' ' ' LEU . . . . . 0.43 HD11 HG12 ' B' ' 641' ' ' VAL . 5.7 tt -89.63 -28.88 19.22 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 120.99 -1.069 . . . . 0.0 109.56 179.446 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 624' ' ' MET . . . . . 0.418 ' SD ' ' CG2' ' A' ' 309' ' ' VAL . 0.3 OUTLIER -77.74 -30.0 51.39 Favored 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 113.352 0.871 . . . . 0.0 113.352 -177.26 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 625' ' ' ALA . . . . . . . . . . . . . . . -96.02 -3.62 44.57 Favored 'General case' 0 N--CA 1.507 2.383 0 O-C-N 120.446 -1.408 . . . . 0.0 109.643 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 626' ' ' LYS . . . . . . . . . . . . . 4.2 tppt? -91.92 -2.75 56.64 Favored 'General case' 0 N--CA 1.492 1.651 0 N-CA-C 105.92 -1.882 . . . . 0.0 105.92 175.451 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 627' ' ' ALA . . . . . . . . . . . . . . . -52.93 147.88 8.56 Favored 'General case' 0 N--CA 1.494 1.741 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.769 -179.101 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 628' ' ' LYS . . . . . . . . . . . . . 84.1 mttt -121.98 88.72 2.99 Favored 'General case' 0 N--CA 1.496 1.862 0 N-CA-C 107.845 -1.168 . . . . 0.0 107.845 178.539 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 629' ' ' CYS . . . . . . . . . . . . . 16.6 t -51.81 137.97 24.85 Favored 'General case' 0 N--CA 1.492 1.652 0 CA-C-O 122.235 1.017 . . . . 0.0 111.704 -178.005 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 630' ' ' SER . . . . . . . . . . . . . 4.6 t -142.47 162.74 34.69 Favored 'General case' 0 N--CA 1.493 1.717 0 N-CA-C 107.526 -1.287 . . . . 0.0 107.526 178.411 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 631' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -67.19 -32.35 73.37 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.468 -1.395 . . . . 0.0 109.996 -179.274 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 74.5 mtm180 -72.57 -16.14 61.75 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.73 -1.231 . . . . 0.0 108.511 179.19 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 633' ' ' GLY . . . . . . . . . . . . . . . 134.86 -177.27 19.42 Favored Glycine 0 N--CA 1.497 2.73 0 N-CA-C 108.569 -1.812 . . . . 0.0 108.569 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 634' ' ' VAL . . . . . . . . . . . . . 7.2 p -75.46 140.85 16.69 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.389 0 O-C-N 120.598 -1.531 . . . . 0.0 109.769 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 11.6 m -136.14 140.33 44.04 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.976 0 O-C-N 121.217 -0.927 . . . . 0.0 108.594 178.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 636' ' ' ILE . . . . . . . . . . . . . 64.3 mt -136.2 153.36 31.46 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.909 0 O-C-N 121.537 -0.727 . . . . 0.0 109.329 -179.004 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 637' ' ' ASN . . . . . . . . . . . . . 15.8 m-20 -83.76 138.3 33.33 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.292 -0.88 . . . . 0.0 109.102 179.644 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -60.57 -10.77 5.58 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.383 -0.823 . . . . 0.0 110.261 -179.402 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 639' ' ' GLU . . . . . . . . . . . . . 76.5 mt-10 -79.49 -20.62 46.86 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.649 -1.282 . . . . 0.0 109.548 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 640' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -85.68 -34.48 21.29 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 120.594 -1.316 . . . . 0.0 108.298 178.073 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 641' ' ' VAL . . . . . 0.43 HG12 HD11 ' B' ' 623' ' ' LEU . 1.6 m -79.06 -33.33 15.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 178.458 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 642' ' ' GLN . . . . . 0.428 ' O ' ' OD1' ' B' ' 646' ' ' ASN . 33.3 tt0 -65.54 -37.41 86.66 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.261 -0.9 . . . . 0.0 108.76 178.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 643' ' ' LEU . . . . . . . . . . . . . 27.8 mt -84.83 -21.9 29.68 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.447 -0.783 . . . . 0.0 109.242 178.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 644' ' ' ALA . . . . . . . . . . . . . . . -84.36 -24.43 29.72 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.576 -1.327 . . . . 0.0 107.862 177.779 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 645' ' ' LEU . . . . . . . . . . . . . 28.8 mt -88.87 -25.22 22.27 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.406 -0.809 . . . . 0.0 109.247 178.789 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 646' ' ' ASN . . . . . 0.428 ' OD1' ' O ' ' B' ' 642' ' ' GLN . 19.5 m120 -90.9 -16.88 27.4 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.262 -0.899 . . . . 0.0 109.836 -179.681 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 647' ' ' LYS . . . . . 0.495 ' O ' ' N ' ' B' ' 649' ' ' MET . 94.2 mttt -91.94 -175.19 4.04 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.137 -0.977 . . . . 0.0 109.804 -179.588 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 648' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 43.85 20.96 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.706 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 -179.677 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 649' ' ' MET . . . . . 0.495 ' N ' ' O ' ' B' ' 647' ' ' LYS . 28.1 ttm -95.09 140.98 29.27 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.534 -0.729 . . . . 0.0 109.633 -179.324 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 650' ' ' ASN . . . . . . . . . . . . . 43.0 t30 . . . . . 0 N--CA 1.49 1.534 0 CA-C-O 117.959 -1.019 . . . . 0.0 109.395 -179.966 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 301' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 . . . . . 0 N--CA 1.489 1.507 0 CA-C-O 121.22 0.533 . . . . 0.0 109.652 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 302' ' ' PHE . . . . . 0.517 ' CD2' ' SD ' ' A' ' 306' ' ' MET . 5.5 t80 -77.77 -43.56 30.38 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 179.318 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 303' ' ' CYS . . . . . . . . . . . . . 85.8 m -86.37 -47.12 9.63 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.546 -0.721 . . . . 0.0 109.147 179.069 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 2.1 p -53.49 -31.06 44.24 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.499 -0.751 . . . . 0.0 111.672 -178.462 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . 78.6 mttt -104.59 -16.34 15.05 Favored 'General case' 0 N--CA 1.508 2.437 0 O-C-N 120.766 -1.209 . . . . 0.0 110.203 179.705 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 306' ' ' MET . . . . . 0.517 ' SD ' ' CD2' ' A' ' 302' ' ' PHE . 38.7 mtp -74.61 -25.66 59.39 Favored 'General case' 0 C--N 1.299 -1.595 0 N-CA-C 106.513 -1.662 . . . . 0.0 106.513 176.676 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 307' ' ' ASN . . . . . 0.454 ' O ' ' C ' ' A' ' 308' ' ' GLN . 2.0 m-20 -82.74 -42.99 17.32 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 106.352 -1.721 . . . . 0.0 106.352 178.538 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 308' ' ' GLN . . . . . 0.524 ' O ' ' N ' ' A' ' 311' ' ' GLY . 6.4 tm0? -35.08 -39.14 0.1 Allowed 'General case' 0 N--CA 1.505 2.306 0 CA-C-O 121.394 0.616 . . . . 0.0 109.419 178.606 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 309' ' ' VAL . . . . . 0.671 HG21 ' O ' ' B' ' 624' ' ' MET . 38.0 t -45.98 -16.62 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.861 0 CA-C-O 121.857 0.836 . . . . 0.0 109.021 179.219 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 310' ' ' CYS . . . . . 0.523 ' N ' ' O ' ' A' ' 308' ' ' GLN . 8.9 m -89.58 19.29 4.68 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.553 -0.717 . . . . 0.0 109.113 179.046 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 311' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' A' ' 308' ' ' GLN . . . . . . . . 0 N--CA 1.491 2.306 0 N-CA-C 109.495 -1.442 . . . . 0.0 109.495 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 593' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.37 0 N-CA-C 109.046 -1.622 . . . . 0.0 109.046 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 594' ' ' SER . . . . . 0.47 ' C ' HD22 ' B' ' 595' ' ' LEU . 69.3 m -82.65 165.54 19.92 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.016 -1.284 . . . . 0.0 110.126 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 595' ' ' LEU . . . . . 0.767 HD22 ' N ' ' B' ' 595' ' ' LEU . 2.8 mm? -98.53 124.22 43.15 Favored 'General case' 0 C--N 1.298 -1.631 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 179.78 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 596' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -128.93 141.89 51.12 Favored 'General case' 0 N--CA 1.504 2.266 0 O-C-N 121.182 -0.949 . . . . 0.0 109.212 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 597' ' ' ARG . . . . . 0.62 ' H ' ' CB ' ' B' ' 600' ' ' GLU . 34.9 mtp180 -112.84 -124.01 0.28 Allowed 'General case' 0 N--CA 1.505 2.321 0 O-C-N 121.63 -0.669 . . . . 0.0 111.263 -177.879 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 598' ' ' CYS . . . . . 0.565 ' SG ' ' N ' ' B' ' 599' ' ' SER . 41.7 t -75.95 -109.88 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.256 -0.902 . . . . 0.0 111.074 -178.472 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 599' ' ' SER . . . . . 0.565 ' N ' ' SG ' ' B' ' 598' ' ' CYS . 29.1 t -44.38 -22.71 0.08 Allowed 'General case' 0 N--CA 1.499 1.977 0 CA-C-O 122.366 1.079 . . . . 0.0 108.914 -179.283 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 600' ' ' GLU . . . . . 0.62 ' CB ' ' H ' ' B' ' 597' ' ' ARG . 16.5 mp0 -45.48 -46.56 13.77 Favored 'General case' 0 C--N 1.297 -1.703 0 CA-C-O 122.829 1.299 . . . . 0.0 109.084 178.565 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 601' ' ' ILE . . . . . 0.541 ' O ' ' N ' ' B' ' 604' ' ' ARG . 2.0 mt -68.16 -30.33 47.55 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.295 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 -178.354 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 602' ' ' TRP . . . . . 0.405 ' C ' ' O ' ' B' ' 601' ' ' ILE . 33.1 t-105 -47.27 -39.56 14.75 Favored 'General case' 0 N--CA 1.494 1.733 0 N-CA-C 107.423 -1.325 . . . . 0.0 107.423 179.225 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 603' ' ' ASP . . . . . 0.431 ' O ' ' OG1' ' B' ' 606' ' ' THR . 29.4 m-20 -64.04 -42.04 97.21 Favored 'General case' 0 C--N 1.305 -1.359 0 N-CA-C 107.138 -1.431 . . . . 0.0 107.138 177.343 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 604' ' ' ARG . . . . . 0.541 ' N ' ' O ' ' B' ' 601' ' ' ILE . 8.6 tpm_? -57.11 -39.65 75.52 Favored 'General case' 0 N--CA 1.496 1.866 0 C-N-CA 119.458 -0.897 . . . . 0.0 108.772 178.487 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 605' ' ' ILE . . . . . . . . . . . . . 43.7 mt -71.04 -47.42 61.72 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.965 0 O-C-N 121.466 -0.771 . . . . 0.0 110.47 179.674 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 606' ' ' THR . . . . . 0.431 ' OG1' ' O ' ' B' ' 603' ' ' ASP . 21.3 p . . . . . 0 N--CA 1.495 1.808 0 O-C-N 121.104 -0.997 . . . . 0.0 110.267 -179.065 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 614' ' ' ILE . . . . . 0.565 HG22 ' N ' ' B' ' 615' ' ' ASP . 65.6 mt . . . . . 0 N--CA 1.493 1.725 0 CA-C-O 121.724 0.773 . . . . 0.0 110.376 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 615' ' ' ASP . . . . . 0.565 ' N ' HG22 ' B' ' 614' ' ' ILE . 80.5 m-20 -128.69 109.92 11.75 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 179.486 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 616' ' ' VAL . . . . . . . . . . . . . 4.2 p -78.51 -17.58 13.57 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.37 -0.832 . . . . 0.0 109.1 -179.59 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 617' ' ' ASP . . . . . 0.482 ' O ' ' SG ' ' B' ' 620' ' ' CYS . 3.9 m-20 -75.2 -38.79 60.6 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.401 -0.812 . . . . 0.0 110.342 -179.551 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 618' ' ' GLY . . . . . 0.434 ' O ' ' OE2' ' B' ' 622' ' ' GLU . . . -66.41 -32.67 82.54 Favored Glycine 0 N--CA 1.49 2.294 0 C-N-CA 119.506 -1.33 . . . . 0.0 109.81 -179.646 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 619' ' ' LEU . . . . . 0.543 HD13 HD21 ' B' ' 645' ' ' LEU . 0.6 OUTLIER -70.07 -27.09 64.35 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.077 -1.249 . . . . 0.0 108.37 179.683 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 620' ' ' CYS . . . . . 0.587 ' SG ' ' N ' ' B' ' 621' ' ' SER . 1.4 p -67.69 -48.71 65.83 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.333 -0.854 . . . . 0.0 110.672 -179.541 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 621' ' ' SER . . . . . 0.587 ' N ' ' SG ' ' B' ' 620' ' ' CYS . 29.9 t -82.97 -3.31 57.02 Favored 'General case' 0 N--CA 1.503 2.197 0 O-C-N 120.5 -1.375 . . . . 0.0 110.353 -179.243 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 622' ' ' GLU . . . . . 0.434 ' OE2' ' O ' ' B' ' 618' ' ' GLY . 0.3 OUTLIER -99.39 -40.27 7.97 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.022 -1.049 . . . . 0.0 108.392 177.433 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 623' ' ' LEU . . . . . . . . . . . . . 18.0 mt -86.43 -19.78 29.13 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.996 -1.065 . . . . 0.0 110.661 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 624' ' ' MET . . . . . 0.671 ' O ' HG21 ' A' ' 309' ' ' VAL . 76.3 mtp -76.73 -28.06 55.66 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 120.627 -1.296 . . . . 0.0 111.779 -177.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 625' ' ' ALA . . . . . 0.419 ' C ' ' N ' ' B' ' 627' ' ' ALA . . . -104.64 -41.15 5.77 Favored 'General case' 0 N--CA 1.505 2.298 0 O-C-N 120.617 -1.302 . . . . 0.0 109.343 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 626' ' ' LYS . . . . . 0.504 ' NZ ' ' OD1' ' B' ' 640' ' ' ASP . 53.0 mtmt -60.78 -14.61 22.55 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 106.512 -1.662 . . . . 0.0 106.512 177.598 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 627' ' ' ALA . . . . . 0.419 ' N ' ' C ' ' B' ' 625' ' ' ALA . . . -44.96 136.88 4.44 Favored 'General case' 0 N--CA 1.491 1.625 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.877 179.53 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 628' ' ' LYS . . . . . . . . . . . . . 80.6 tttt -101.85 92.46 4.83 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 107.311 -1.366 . . . . 0.0 107.311 178.337 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 629' ' ' CYS . . . . . . . . . . . . . 51.0 t -59.98 134.74 57.32 Favored 'General case' 0 N--CA 1.49 1.572 0 CA-C-O 122.557 1.17 . . . . 0.0 112.215 -177.516 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 630' ' ' SER . . . . . . . . . . . . . 6.8 t -141.96 161.04 38.96 Favored 'General case' 0 N--CA 1.492 1.674 0 N-CA-C 107.062 -1.459 . . . . 0.0 107.062 178.229 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 631' ' ' GLU . . . . . 0.615 ' H ' ' CD ' ' B' ' 631' ' ' GLU . 1.4 pm0 -66.44 -28.3 68.5 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.253 -1.529 . . . . 0.0 109.684 -179.32 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 632' ' ' ARG . . . . . 0.423 HH11 ' HG3' ' B' ' 632' ' ' ARG . 29.0 mtm-85 -74.04 -15.42 61.08 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.9 -1.125 . . . . 0.0 108.213 178.907 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 633' ' ' GLY . . . . . . . . . . . . . . . 133.62 -174.87 20.54 Favored Glycine 0 N--CA 1.497 2.724 0 N-CA-C 108.442 -1.863 . . . . 0.0 108.442 -179.592 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 634' ' ' VAL . . . . . . . . . . . . . 7.6 m -79.44 162.18 3.93 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 O-C-N 120.597 -1.531 . . . . 0.0 109.792 179.755 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 5.3 p -148.5 140.59 18.08 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 O-C-N 120.988 -1.07 . . . . 0.0 108.855 177.493 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 636' ' ' ILE . . . . . . . . . . . . . 18.1 mm -118.67 132.91 67.17 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.957 0 O-C-N 121.884 -0.51 . . . . 0.0 110.224 -178.617 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 637' ' ' ASN . . . . . 0.51 ' O ' ' N ' ' B' ' 639' ' ' GLU . 47.6 m-20 -83.95 134.32 34.66 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 107.9 -1.148 . . . . 0.0 107.9 178.12 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 638' ' ' ALA . . . . . 0.406 ' O ' ' CG ' ' B' ' 642' ' ' GLN . . . -46.54 -13.44 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.424 -0.797 . . . . 0.0 110.848 -178.204 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 639' ' ' GLU . . . . . 0.51 ' N ' ' O ' ' B' ' 637' ' ' ASN . 72.0 mt-10 -82.24 -20.93 36.67 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.913 -1.117 . . . . 0.0 110.61 -179.333 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 640' ' ' ASP . . . . . 0.504 ' OD1' ' NZ ' ' B' ' 626' ' ' LYS . 19.2 t0 -85.46 -58.34 2.71 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 120.457 -1.402 . . . . 0.0 107.881 178.121 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 641' ' ' VAL . . . . . 0.587 HG13 ' N ' ' B' ' 642' ' ' GLN . 7.8 p -50.12 -47.21 24.67 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 120.788 -1.195 . . . . 0.0 108.562 177.867 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 642' ' ' GLN . . . . . 0.587 ' N ' HG13 ' B' ' 641' ' ' VAL . 75.4 mm-40 -57.65 -35.75 70.94 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.008 -1.058 . . . . 0.0 109.572 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 643' ' ' LEU . . . . . . . . . . . . . 61.1 mt -80.67 -23.31 39.72 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.176 -0.952 . . . . 0.0 109.001 178.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 644' ' ' ALA . . . . . . . . . . . . . . . -86.59 -48.16 8.58 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.823 -1.173 . . . . 0.0 108.881 178.548 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 645' ' ' LEU . . . . . 0.543 HD21 HD13 ' B' ' 619' ' ' LEU . 46.9 mt -66.68 -69.73 0.29 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.858 -1.151 . . . . 0.0 109.523 179.42 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 646' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -46.61 -13.57 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.144 -0.972 . . . . 0.0 110.917 -178.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 647' ' ' LYS . . . . . 0.507 ' N ' ' O ' ' B' ' 645' ' ' LEU . 54.6 tttp -99.69 -11.66 20.69 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 120.952 -1.092 . . . . 0.0 110.109 -179.6 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 648' ' ' HIS . . . . . . . . . . . . . 51.4 m-70 -111.17 12.78 21.84 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.344 -0.848 . . . . 0.0 109.52 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 649' ' ' MET . . . . . . . . . . . . . 12.7 mtt -97.03 125.76 41.7 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.249 -0.907 . . . . 0.0 109.402 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 650' ' ' ASN . . . . . . . . . . . . . 74.1 m-80 . . . . . 0 N--CA 1.491 1.616 0 CA-C-O 118.006 -0.997 . . . . 0.0 109.447 179.978 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 301' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 . . . . . 0 N--CA 1.493 1.714 0 N-CA-C 106.414 -1.698 . . . . 0.0 106.414 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 302' ' ' PHE . . . . . . . . . . . . . 38.6 t80 -75.18 -63.55 1.25 Allowed 'General case' 0 C--N 1.304 -1.385 0 CA-C-N 114.276 -1.329 . . . . 0.0 109.578 178.362 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 303' ' ' CYS . . . . . . . . . . . . . 66.3 m -70.96 -45.01 64.85 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.081 -1.012 . . . . 0.0 109.543 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 42.2 t -53.97 -26.33 25.28 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.429 -0.795 . . . . 0.0 111.587 -178.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . 24.6 mtpp -97.13 -13.68 22.0 Favored 'General case' 0 N--CA 1.507 2.389 0 O-C-N 120.828 -1.17 . . . . 0.0 108.317 178.282 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 306' ' ' MET . . . . . . . . . . . . . 6.0 mmt -72.71 -26.07 61.46 Favored 'General case' 0 C--N 1.295 -1.766 0 N-CA-C 107.327 -1.361 . . . . 0.0 107.327 177.232 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 307' ' ' ASN . . . . . 0.424 ' O ' ' C ' ' A' ' 308' ' ' GLN . 30.5 t30 -84.65 -39.2 18.91 Favored 'General case' 0 N--CA 1.492 1.675 0 N-CA-C 106.673 -1.603 . . . . 0.0 106.673 179.521 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 308' ' ' GLN . . . . . 0.543 ' O ' ' N ' ' A' ' 310' ' ' CYS . 43.6 mm-40 -37.17 -40.14 0.3 Allowed 'General case' 0 N--CA 1.506 2.336 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 178.444 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 309' ' ' VAL . . . . . 0.414 HG23 ' H ' ' A' ' 309' ' ' VAL . 11.0 t -46.82 -12.66 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.874 0 CA-C-O 121.361 0.601 . . . . 0.0 109.729 179.283 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 310' ' ' CYS . . . . . 0.543 ' N ' ' O ' ' A' ' 308' ' ' GLN . 3.1 t -76.61 -59.9 2.58 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.417 -0.802 . . . . 0.0 109.314 179.476 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 311' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.453 0 N-CA-C 109.547 -1.421 . . . . 0.0 109.547 179.945 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 593' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.402 0 N-CA-C 109.421 -1.471 . . . . 0.0 109.421 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 594' ' ' SER . . . . . . . . . . . . . 62.8 m -69.62 166.71 18.47 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.319 -1.107 . . . . 0.0 110.015 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 595' ' ' LEU . . . . . 0.548 ' N ' HD12 ' B' ' 595' ' ' LEU . 8.2 mp -90.19 118.27 29.58 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 179.812 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 596' ' ' LEU . . . . . 0.531 ' H ' HD12 ' B' ' 596' ' ' LEU . 0.0 OUTLIER -128.06 146.55 50.64 Favored 'General case' 0 N--CA 1.501 2.087 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 -179.89 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 597' ' ' ARG . . . . . 0.414 HH11 ' CG ' ' B' ' 597' ' ' ARG . 0.0 OUTLIER -78.92 -169.22 1.71 Allowed 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.361 -0.837 . . . . 0.0 109.847 -179.507 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 598' ' ' CYS . . . . . 0.519 ' O ' ' N ' ' B' ' 600' ' ' GLU . 1.8 p -65.41 -92.36 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.516 -0.74 . . . . 0.0 110.701 -178.688 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 14.2 t -45.04 -18.04 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.861 0 CA-C-O 121.957 0.884 . . . . 0.0 109.439 -179.404 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 600' ' ' GLU . . . . . 0.519 ' N ' ' O ' ' B' ' 598' ' ' CYS . 6.7 tm-20 -48.01 -41.63 26.03 Favored 'General case' 0 C--N 1.302 -1.472 0 CA-C-O 122.675 1.226 . . . . 0.0 108.564 179.333 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 601' ' ' ILE . . . . . 0.535 ' O ' ' N ' ' B' ' 604' ' ' ARG . 1.0 OUTLIER -66.34 -35.78 75.77 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.083 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 -178.269 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 602' ' ' TRP . . . . . 0.403 ' C ' ' O ' ' B' ' 601' ' ' ILE . 15.5 t-105 -44.99 -40.55 6.56 Favored 'General case' 0 N--CA 1.494 1.75 0 N-CA-C 108.061 -1.089 . . . . 0.0 108.061 179.81 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 603' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -65.13 -41.88 94.41 Favored 'General case' 0 C--N 1.304 -1.411 0 N-CA-C 107.721 -1.215 . . . . 0.0 107.721 177.8 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 604' ' ' ARG . . . . . 0.535 ' N ' ' O ' ' B' ' 601' ' ' ILE . 15.7 tpt180 -58.6 -33.48 70.06 Favored 'General case' 0 N--CA 1.497 1.921 0 CA-C-O 121.844 0.83 . . . . 0.0 109.464 179.108 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 605' ' ' ILE . . . . . . . . . . . . . 85.7 mt -80.05 -48.33 20.44 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.784 0 O-C-N 121.792 -0.567 . . . . 0.0 111.109 -179.381 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 606' ' ' THR . . . . . . . . . . . . . 35.1 p . . . . . 0 C--N 1.3 -1.583 0 O-C-N 120.518 -1.364 . . . . 0.0 110.611 -178.825 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 614' ' ' ILE . . . . . 0.444 HG22 ' N ' ' B' ' 615' ' ' ASP . 16.8 mm . . . . . 0 N--CA 1.489 1.495 0 CA-C-O 121.339 0.59 . . . . 0.0 109.765 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 615' ' ' ASP . . . . . 0.444 ' N ' HG22 ' B' ' 614' ' ' ILE . 24.4 t0 -130.94 106.58 8.51 Favored 'General case' 0 N--CA 1.491 1.614 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 179.165 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 616' ' ' VAL . . . . . 0.442 HG22 ' H ' ' B' ' 616' ' ' VAL . 13.1 m -80.57 -16.97 12.54 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 CA-C-O 121.627 0.727 . . . . 0.0 109.356 -179.768 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 617' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -68.5 -43.97 75.72 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.29 -0.881 . . . . 0.0 110.217 -179.345 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 618' ' ' GLY . . . . . 0.436 ' O ' ' OE2' ' B' ' 622' ' ' GLU . . . -65.46 -37.64 93.98 Favored Glycine 0 N--CA 1.489 2.225 0 N-CA-C 110.003 -1.239 . . . . 0.0 110.003 -179.493 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 619' ' ' LEU . . . . . . . . . . . . . 4.4 mt -64.09 -22.42 66.93 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.104 -1.233 . . . . 0.0 108.064 179.507 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 620' ' ' CYS . . . . . . . . . . . . . 11.3 t -69.51 -53.58 18.41 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.558 -0.714 . . . . 0.0 110.849 -179.508 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 34.8 t -82.46 -1.59 50.7 Favored 'General case' 0 N--CA 1.502 2.128 0 O-C-N 120.562 -1.336 . . . . 0.0 110.531 -179.167 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 622' ' ' GLU . . . . . 0.436 ' OE2' ' O ' ' B' ' 618' ' ' GLY . 0.4 OUTLIER -99.14 -47.72 5.11 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.045 -1.034 . . . . 0.0 109.107 178.128 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 623' ' ' LEU . . . . . 0.478 ' N ' HD12 ' B' ' 623' ' ' LEU . 9.1 mp -86.24 -19.71 29.56 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 120.85 -1.156 . . . . 0.0 110.706 -179.204 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 624' ' ' MET . . . . . . . . . . . . . 24.5 ttt -71.46 -28.23 63.81 Favored 'General case' 0 N--CA 1.502 2.133 0 O-C-N 120.763 -1.211 . . . . 0.0 111.716 -178.437 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 625' ' ' ALA . . . . . . . . . . . . . . . -103.73 -3.39 25.08 Favored 'General case' 0 N--CA 1.506 2.361 0 O-C-N 120.746 -1.221 . . . . 0.0 109.288 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 626' ' ' LYS . . . . . 0.438 ' O ' ' NZ ' ' B' ' 628' ' ' LYS . 32.0 mmtm -96.38 -15.32 21.9 Favored 'General case' 0 N--CA 1.494 1.734 0 N-CA-C 106.879 -1.526 . . . . 0.0 106.879 176.524 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 627' ' ' ALA . . . . . . . . . . . . . . . -48.48 145.95 3.2 Favored 'General case' 0 N--CA 1.493 1.691 0 CA-C-O 121.478 0.656 . . . . 0.0 110.954 -179.634 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 628' ' ' LYS . . . . . 0.438 ' NZ ' ' O ' ' B' ' 626' ' ' LYS . 40.5 mmtm -123.94 89.79 3.15 Favored 'General case' 0 N--CA 1.497 1.925 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 179.422 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 629' ' ' CYS . . . . . . . . . . . . . 18.0 t -48.83 118.31 2.51 Favored 'General case' 0 N--CA 1.494 1.741 0 CA-C-O 122.249 1.024 . . . . 0.0 111.12 -178.595 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 630' ' ' SER . . . . . . . . . . . . . 13.1 t -142.93 161.86 37.0 Favored 'General case' 0 N--CA 1.495 1.811 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 178.821 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 631' ' ' GLU . . . . . 0.507 ' C ' ' H ' ' B' ' 633' ' ' GLY . 63.1 tt0 -63.35 -29.75 71.0 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.546 -1.346 . . . . 0.0 109.202 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 16.4 mmt180 -79.75 32.78 0.25 Allowed 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 107.548 -1.278 . . . . 0.0 107.548 178.041 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 633' ' ' GLY . . . . . 0.507 ' H ' ' C ' ' B' ' 631' ' ' GLU . . . 74.77 -171.52 53.49 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 108.296 -1.922 . . . . 0.0 108.296 -178.72 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 634' ' ' VAL . . . . . 0.433 ' O ' HG23 ' B' ' 634' ' ' VAL . 30.8 m -77.47 140.62 16.77 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 O-C-N 120.796 -1.414 . . . . 0.0 109.689 179.582 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 18.3 m -127.91 133.72 66.74 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.384 0 O-C-N 121.097 -1.002 . . . . 0.0 108.766 178.352 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 636' ' ' ILE . . . . . 0.45 ' O ' HD12 ' B' ' 596' ' ' LEU . 4.2 mt -125.32 156.46 34.49 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.877 0 CA-C-O 121.339 0.59 . . . . 0.0 109.953 -178.373 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 637' ' ' ASN . . . . . 0.527 ' O ' ' N ' ' B' ' 639' ' ' GLU . 8.9 m120 -89.58 121.92 32.24 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.19 -0.944 . . . . 0.0 109.033 179.207 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -47.6 -10.4 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.617 -0.677 . . . . 0.0 110.242 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 639' ' ' GLU . . . . . 0.527 ' N ' ' O ' ' B' ' 637' ' ' ASN . 41.0 tt0 -77.11 -20.31 55.83 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.9 -1.125 . . . . 0.0 109.685 179.623 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 640' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -87.97 -44.94 10.64 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 120.564 -1.335 . . . . 0.0 108.598 177.716 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 641' ' ' VAL . . . . . 0.446 ' H ' HG13 ' B' ' 641' ' ' VAL . 1.8 m -65.22 -32.76 59.67 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 121.031 -1.043 . . . . 0.0 108.918 178.58 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 642' ' ' GLN . . . . . . . . . . . . . 21.6 tp60 -72.61 -32.97 66.36 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.209 -0.932 . . . . 0.0 109.21 179.506 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 643' ' ' LEU . . . . . . . . . . . . . 89.2 mt -83.97 -21.94 31.6 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.212 -0.93 . . . . 0.0 108.761 178.665 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 644' ' ' ALA . . . . . . . . . . . . . . . -87.74 -36.26 17.45 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.085 -1.01 . . . . 0.0 108.791 178.41 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 645' ' ' LEU . . . . . . . . . . . . . 18.8 mt -77.59 -24.46 49.68 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.293 -0.88 . . . . 0.0 109.2 179.079 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 646' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -91.95 -8.15 47.04 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.912 -1.118 . . . . 0.0 109.882 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 647' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -104.79 -10.07 17.65 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.359 -0.838 . . . . 0.0 109.401 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 648' ' ' HIS . . . . . . . . . . . . . 23.3 m-70 -112.33 7.21 19.19 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.508 -0.745 . . . . 0.0 109.461 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 649' ' ' MET . . . . . . . . . . . . . 25.5 mmm -96.19 103.09 14.97 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.238 -0.914 . . . . 0.0 109.227 179.74 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 650' ' ' ASN . . . . . . . . . . . . . 14.0 m120 . . . . . 0 N--CA 1.489 1.509 0 CA-C-O 118.087 -0.959 . . . . 0.0 109.471 179.955 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 301' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 . . . . . 0 N--CA 1.489 1.508 0 CA-C-O 121.49 0.662 . . . . 0.0 109.276 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 302' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -63.36 -62.65 1.54 Allowed 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 303' ' ' CYS . . . . . . . . . . . . . 78.8 m -80.64 -49.38 11.33 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.429 -0.794 . . . . 0.0 110.135 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 9.2 p -48.09 -25.96 1.65 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.402 -0.811 . . . . 0.0 110.807 -178.737 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . 23.9 mtpp -104.2 -14.7 15.74 Favored 'General case' 0 N--CA 1.504 2.235 0 O-C-N 121.04 -1.037 . . . . 0.0 108.773 178.556 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 306' ' ' MET . . . . . . . . . . . . . 26.7 tpp -72.46 -25.64 61.52 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 107.013 -1.477 . . . . 0.0 107.013 176.755 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 307' ' ' ASN . . . . . 0.465 ' O ' ' N ' ' A' ' 310' ' ' CYS . 30.2 t30 -85.87 -41.46 14.95 Favored 'General case' 0 N--CA 1.494 1.768 0 N-CA-C 106.439 -1.689 . . . . 0.0 106.439 178.333 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 308' ' ' GLN . . . . . 0.529 ' O ' ' N ' ' A' ' 310' ' ' CYS . 42.8 tt0 -35.19 -37.11 0.07 Allowed 'General case' 0 N--CA 1.505 2.286 0 CA-C-O 121.458 0.647 . . . . 0.0 109.416 178.806 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 309' ' ' VAL . . . . . 0.417 ' N ' ' O ' ' A' ' 307' ' ' ASN . 21.6 t -47.8 -13.78 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.879 0 O-C-N 121.346 -0.847 . . . . 0.0 109.051 178.748 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 310' ' ' CYS . . . . . 0.529 ' N ' ' O ' ' A' ' 308' ' ' GLN . 1.8 m -84.24 -17.06 41.02 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.482 -0.761 . . . . 0.0 109.242 179.72 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 311' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.229 0 N-CA-C 109.4 -1.48 . . . . 0.0 109.4 179.767 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 593' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.413 0 N-CA-C 109.325 -1.51 . . . . 0.0 109.325 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 594' ' ' SER . . . . . 0.431 ' C ' HD22 ' B' ' 595' ' ' LEU . 67.6 m -79.93 165.94 22.14 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.146 -1.208 . . . . 0.0 110.262 -179.693 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 595' ' ' LEU . . . . . 0.624 HD22 ' N ' ' B' ' 595' ' ' LEU . 3.7 mm? -96.15 126.9 41.69 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 179.588 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 596' ' ' LEU . . . . . . . . . . . . . 1.6 mp -129.27 150.58 50.59 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.25 -0.906 . . . . 0.0 109.781 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 597' ' ' ARG . . . . . 0.524 HH11 ' CG ' ' B' ' 597' ' ' ARG . 0.0 OUTLIER -94.26 -161.25 0.84 Allowed 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.398 -0.814 . . . . 0.0 110.27 -178.896 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 598' ' ' CYS . . . . . . . . . . . . . 2.7 p -71.1 -84.95 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.398 -0.813 . . . . 0.0 110.176 -179.388 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 599' ' ' SER . . . . . 0.459 ' O ' ' N ' ' B' ' 602' ' ' TRP . 1.1 p -45.6 -29.35 1.18 Allowed 'General case' 0 N--CA 1.496 1.874 0 CA-C-O 122.342 1.068 . . . . 0.0 108.778 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 600' ' ' GLU . . . . . . . . . . . . . 25.1 tp10 -47.78 -38.05 14.81 Favored 'General case' 0 C--N 1.303 -1.431 0 CA-C-O 122.548 1.166 . . . . 0.0 108.342 179.295 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 601' ' ' ILE . . . . . 0.592 ' O ' ' N ' ' B' ' 604' ' ' ARG . 1.3 mp -68.86 -34.6 65.27 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.109 0 N-CA-C 107.601 -1.259 . . . . 0.0 107.601 -178.722 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 602' ' ' TRP . . . . . 0.459 ' N ' ' O ' ' B' ' 599' ' ' SER . 54.4 t-105 -44.15 -36.82 2.8 Favored 'General case' 0 N--CA 1.494 1.754 0 N-CA-C 107.397 -1.335 . . . . 0.0 107.397 179.481 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 603' ' ' ASP . . . . . 0.435 ' O ' ' OG1' ' B' ' 606' ' ' THR . 27.5 t70 -68.66 -42.85 77.33 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 107.633 -1.247 . . . . 0.0 107.633 177.355 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 604' ' ' ARG . . . . . 0.592 ' N ' ' O ' ' B' ' 601' ' ' ILE . 10.8 mmt-85 -56.56 -39.9 74.25 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.151 -0.968 . . . . 0.0 109.223 178.774 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 605' ' ' ILE . . . . . . . . . . . . . 10.4 mm -66.07 -47.61 84.37 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.075 0 O-C-N 121.357 -0.84 . . . . 0.0 110.345 179.537 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 606' ' ' THR . . . . . 0.435 ' OG1' ' O ' ' B' ' 603' ' ' ASP . 37.8 p . . . . . 0 N--CA 1.494 1.748 0 O-C-N 120.896 -1.127 . . . . 0.0 109.971 -179.33 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 614' ' ' ILE . . . . . 0.668 HG22 ' N ' ' B' ' 615' ' ' ASP . 68.2 mt . . . . . 0 N--CA 1.499 2.018 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 615' ' ' ASP . . . . . 0.668 ' N ' HG22 ' B' ' 614' ' ' ILE . 69.7 m-20 -122.08 132.84 54.7 Favored 'General case' 0 N--CA 1.498 1.945 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 179.462 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 616' ' ' VAL . . . . . . . . . . . . . 14.3 m -77.89 -17.17 14.03 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 O-C-N 121.39 -0.819 . . . . 0.0 109.862 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 617' ' ' ASP . . . . . 0.425 ' OD1' ' N ' ' B' ' 618' ' ' GLY . 2.0 p30 -75.44 -31.86 60.47 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.168 -0.957 . . . . 0.0 110.107 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 618' ' ' GLY . . . . . 0.425 ' N ' ' OD1' ' B' ' 617' ' ' ASP . . . -68.33 -41.05 86.78 Favored Glycine 0 N--CA 1.49 2.298 0 C-N-CA 119.723 -1.227 . . . . 0.0 110.375 -179.295 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 619' ' ' LEU . . . . . 0.855 ' H ' HD22 ' B' ' 619' ' ' LEU . 1.5 mm? -70.11 -22.84 62.98 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 120.716 -1.461 . . . . 0.0 108.067 179.495 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 620' ' ' CYS . . . . . . . . . . . . . 96.4 m -69.29 -53.47 19.54 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.227 -0.921 . . . . 0.0 110.362 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 31.4 t -83.5 -1.35 53.48 Favored 'General case' 0 N--CA 1.502 2.151 0 O-C-N 120.522 -1.361 . . . . 0.0 110.806 -179.115 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 622' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -100.12 -46.66 5.24 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 120.966 -1.084 . . . . 0.0 109.76 178.166 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 623' ' ' LEU . . . . . . . . . . . . . 9.4 mp -85.55 -17.45 36.28 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 120.962 -1.086 . . . . 0.0 110.204 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 624' ' ' MET . . . . . . . . . . . . . 12.9 ttt -68.6 -29.25 67.74 Favored 'General case' 0 N--CA 1.499 2.025 0 O-C-N 120.7 -1.25 . . . . 0.0 111.293 -178.796 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 625' ' ' ALA . . . . . . . . . . . . . . . -105.23 -30.92 9.36 Favored 'General case' 0 N--CA 1.504 2.256 0 O-C-N 120.739 -1.226 . . . . 0.0 109.369 179.6 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 626' ' ' LYS . . . . . . . . . . . . . 66.7 mmtt -63.85 -14.5 53.66 Favored 'General case' 0 C--N 1.299 -1.614 0 N-CA-C 106.124 -1.806 . . . . 0.0 106.124 176.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 627' ' ' ALA . . . . . . . . . . . . . . . -45.86 122.41 3.75 Favored 'General case' 0 N--CA 1.492 1.641 0 CA-C-N 115.215 -0.902 . . . . 0.0 111.956 -179.504 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 628' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -94.98 88.4 5.24 Favored 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 106.325 -1.731 . . . . 0.0 106.325 176.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 629' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -58.67 138.92 56.71 Favored 'General case' 0 C--N 1.299 -1.625 0 CA-C-O 122.431 1.11 . . . . 0.0 112.334 -176.577 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 630' ' ' SER . . . . . . . . . . . . . 3.6 t -142.1 162.69 34.83 Favored 'General case' 0 N--CA 1.493 1.725 0 N-CA-C 107.347 -1.353 . . . . 0.0 107.347 178.274 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 631' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -69.09 -34.4 75.06 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.444 -1.41 . . . . 0.0 110.518 -178.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 632' ' ' ARG . . . . . 0.572 HH11 ' CG ' ' B' ' 632' ' ' ARG . 3.1 mtt-85 -70.9 -17.27 62.71 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.855 -1.153 . . . . 0.0 108.856 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 633' ' ' GLY . . . . . . . . . . . . . . . 143.82 179.9 20.71 Favored Glycine 0 N--CA 1.496 2.633 0 N-CA-C 108.722 -1.751 . . . . 0.0 108.722 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 634' ' ' VAL . . . . . 0.468 HG22 ' N ' ' B' ' 635' ' ' VAL . 3.2 p -79.33 160.42 4.35 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.39 0 O-C-N 120.685 -1.479 . . . . 0.0 110.015 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 635' ' ' VAL . . . . . 0.468 ' N ' HG22 ' B' ' 634' ' ' VAL . 19.4 m -150.5 143.56 17.18 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 N-CA-C 107.929 -1.138 . . . . 0.0 107.929 177.722 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 636' ' ' ILE . . . . . . . . . . . . . 80.8 mt -130.99 147.54 33.07 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.051 0 O-C-N 121.25 -0.906 . . . . 0.0 109.959 -178.833 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 637' ' ' ASN . . . . . 0.507 ' ND2' ' OE1' ' B' ' 639' ' ' GLU . 59.9 t30 -88.83 136.83 32.8 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.247 -0.908 . . . . 0.0 109.054 179.429 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -48.59 -10.6 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.472 -0.768 . . . . 0.0 110.992 -179.326 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 639' ' ' GLU . . . . . 0.528 ' OE1' ' N ' ' B' ' 639' ' ' GLU . 11.5 mp0 -80.83 -19.81 43.81 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.9 -1.125 . . . . 0.0 110.663 -179.645 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 640' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -86.81 -44.64 11.58 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 120.311 -1.493 . . . . 0.0 108.722 178.292 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 641' ' ' VAL . . . . . 0.424 ' H ' HG12 ' B' ' 641' ' ' VAL . 0.8 OUTLIER -66.67 -44.52 89.64 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 120.876 -1.14 . . . . 0.0 108.45 178.34 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 642' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -60.51 -35.81 76.86 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.119 -0.988 . . . . 0.0 109.752 -179.471 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 643' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -83.23 -18.85 37.79 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.024 -1.048 . . . . 0.0 108.832 178.853 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 644' ' ' ALA . . . . . . . . . . . . . . . -86.65 -38.98 16.53 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 120.814 -1.179 . . . . 0.0 109.163 178.535 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 645' ' ' LEU . . . . . 0.519 ' O ' ' N ' ' B' ' 647' ' ' LYS . 44.4 mt -77.61 -68.02 0.66 Allowed 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.576 -1.328 . . . . 0.0 108.805 178.732 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 646' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -45.43 -15.22 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.171 -0.955 . . . . 0.0 110.508 -179.196 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 647' ' ' LYS . . . . . 0.519 ' N ' ' O ' ' B' ' 645' ' ' LEU . 77.4 tttt -94.38 -11.88 29.03 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.003 -1.061 . . . . 0.0 109.753 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 648' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -109.84 18.49 20.1 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.474 -0.766 . . . . 0.0 109.424 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 649' ' ' MET . . . . . . . . . . . . . 6.5 mmt -96.56 99.73 11.35 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.284 -0.885 . . . . 0.0 109.227 179.556 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 650' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 . . . . . 0 N--CA 1.49 1.53 0 CA-C-O 117.958 -1.02 . . . . 0.0 109.506 -179.933 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 301' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 . . . . . 0 N--CA 1.494 1.748 0 N-CA-C 107.209 -1.404 . . . . 0.0 107.209 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 302' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -75.47 -56.41 4.73 Favored 'General case' 0 C--N 1.303 -1.447 0 CA-C-N 114.821 -1.082 . . . . 0.0 109.314 178.55 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 303' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -76.85 -37.88 54.77 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.125 -0.985 . . . . 0.0 109.28 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 11.0 t -56.48 -30.97 63.56 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.471 -0.768 . . . . 0.0 110.793 -179.072 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . 54.0 mttp -95.14 -15.37 23.39 Favored 'General case' 0 N--CA 1.503 2.196 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 178.305 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 306' ' ' MET . . . . . . . . . . . . . 24.8 ttm -73.08 -22.8 60.52 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 107.347 -1.353 . . . . 0.0 107.347 177.202 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 307' ' ' ASN . . . . . 0.439 ' O ' ' N ' ' A' ' 310' ' ' CYS . 2.6 t30 -83.94 -38.24 21.29 Favored 'General case' 0 N--CA 1.491 1.591 0 N-CA-C 106.195 -1.78 . . . . 0.0 106.195 178.853 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 308' ' ' GLN . . . . . 0.529 ' O ' ' N ' ' A' ' 310' ' ' CYS . 70.8 tp60 -38.09 -44.2 0.81 Allowed 'General case' 0 N--CA 1.503 2.194 0 CA-C-N 115.791 -0.641 . . . . 0.0 109.329 178.468 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 309' ' ' VAL . . . . . 0.43 ' H ' HG23 ' A' ' 309' ' ' VAL . 10.8 t -45.75 -16.22 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.499 1.989 0 CA-C-O 122.024 0.916 . . . . 0.0 109.383 179.372 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 310' ' ' CYS . . . . . 0.529 ' N ' ' O ' ' A' ' 308' ' ' GLN . 63.1 m -94.1 -37.45 11.6 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 179.287 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 311' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 308' ' ' GLN . . . . . . . . 0 N--CA 1.491 2.33 0 N-CA-C 109.676 -1.37 . . . . 0.0 109.676 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 593' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.203 0 N-CA-C 109.504 -1.438 . . . . 0.0 109.504 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 594' ' ' SER . . . . . 0.427 ' C ' HD22 ' B' ' 595' ' ' LEU . 11.5 p -76.64 165.32 24.92 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.224 -1.162 . . . . 0.0 110.17 -179.743 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 595' ' ' LEU . . . . . 0.746 HD22 ' N ' ' B' ' 595' ' ' LEU . 2.9 mm? -94.85 121.1 36.11 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 179.711 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 596' ' ' LEU . . . . . 0.533 HD21 HH21 ' B' ' 604' ' ' ARG . 0.0 OUTLIER -128.17 153.53 46.78 Favored 'General case' 0 N--CA 1.507 2.388 0 O-C-N 121.292 -0.88 . . . . 0.0 109.459 -179.804 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 597' ' ' ARG . . . . . 0.751 HH21 ' H ' ' B' ' 634' ' ' VAL . 0.0 OUTLIER -88.03 -144.7 0.14 Allowed 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.339 -0.851 . . . . 0.0 110.186 -179.472 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 598' ' ' CYS . . . . . 0.478 ' O ' ' N ' ' B' ' 600' ' ' GLU . 1.8 p -88.85 -87.19 0.17 Allowed 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.201 -0.937 . . . . 0.0 110.399 -178.659 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 599' ' ' SER . . . . . 0.45 ' O ' ' N ' ' B' ' 602' ' ' TRP . 29.2 t -45.42 -21.57 0.1 Allowed 'General case' 0 N--CA 1.498 1.934 0 CA-C-O 122.187 0.994 . . . . 0.0 108.758 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 600' ' ' GLU . . . . . 0.478 ' N ' ' O ' ' B' ' 598' ' ' CYS . 5.4 tm-20 -45.9 -42.59 12.88 Favored 'General case' 0 C--N 1.303 -1.442 0 CA-C-O 122.958 1.361 . . . . 0.0 108.49 178.761 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 601' ' ' ILE . . . . . 0.565 ' O ' ' N ' ' B' ' 604' ' ' ARG . 1.4 mp -68.69 -32.38 54.74 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.105 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 -178.301 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 602' ' ' TRP . . . . . 0.45 ' N ' ' O ' ' B' ' 599' ' ' SER . 60.4 t-105 -45.89 -37.28 6.13 Favored 'General case' 0 N--CA 1.495 1.825 0 N-CA-C 107.325 -1.361 . . . . 0.0 107.325 179.274 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 603' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -68.84 -41.58 78.3 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 107.564 -1.273 . . . . 0.0 107.564 177.478 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 604' ' ' ARG . . . . . 0.565 ' N ' ' O ' ' B' ' 601' ' ' ILE . 28.0 mmt180 -57.58 -40.41 78.94 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.326 -0.859 . . . . 0.0 109.12 178.865 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 605' ' ' ILE . . . . . . . . . . . . . 31.1 mt -68.92 -48.34 70.95 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 121.358 -0.839 . . . . 0.0 110.522 179.377 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 606' ' ' THR . . . . . . . . . . . . . 25.0 p . . . . . 0 N--CA 1.491 1.621 0 O-C-N 120.764 -1.21 . . . . 0.0 109.994 -179.246 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 614' ' ' ILE . . . . . . . . . . . . . 19.5 tt . . . . . 0 N--CA 1.497 1.881 0 N-CA-C 109.692 -0.485 . . . . 0.0 109.692 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 615' ' ' ASP . . . . . . . . . . . . . 13.3 t0 64.59 83.73 0.16 Allowed 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.272 -0.893 . . . . 0.0 109.237 -179.503 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 616' ' ' VAL . . . . . 0.408 ' O ' ' SG ' ' B' ' 620' ' ' CYS . 20.2 t -80.86 -18.36 11.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.537 -0.727 . . . . 0.0 109.61 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 617' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -74.61 -37.91 62.72 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.204 -0.935 . . . . 0.0 110.087 -179.689 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 618' ' ' GLY . . . . . . . . . . . . . . . -70.63 -46.55 46.44 Favored Glycine 0 N--CA 1.49 2.262 0 C-N-CA 119.773 -1.203 . . . . 0.0 110.114 -179.587 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 619' ' ' LEU . . . . . 0.436 HD23 ' N ' ' B' ' 620' ' ' CYS . 0.0 OUTLIER -65.04 -19.38 65.97 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.043 -1.269 . . . . 0.0 108.526 -179.555 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 620' ' ' CYS . . . . . 0.436 ' N ' HD23 ' B' ' 619' ' ' LEU . 34.4 m -71.4 -44.41 64.98 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.942 -1.099 . . . . 0.0 109.234 179.372 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 36.1 t -82.42 -0.34 45.68 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.068 -1.02 . . . . 0.0 108.746 179.207 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 622' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -98.24 -45.35 6.22 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.482 -0.761 . . . . 0.0 109.185 178.537 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 623' ' ' LEU . . . . . . . . . . . . . 10.6 mp -86.04 -27.17 24.94 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 120.606 -1.309 . . . . 0.0 109.595 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 624' ' ' MET . . . . . . . . . . . . . 21.0 ttt -71.53 -32.24 67.94 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.285 -0.884 . . . . 0.0 112.514 -177.145 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 625' ' ' ALA . . . . . . . . . . . . . . . -101.88 -8.07 21.92 Favored 'General case' 0 N--CA 1.508 2.454 0 O-C-N 120.554 -1.341 . . . . 0.0 110.203 -179.618 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 626' ' ' LYS . . . . . . . . . . . . . 53.7 mttm -85.96 -4.64 59.21 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 105.871 -1.9 . . . . 0.0 105.871 176.148 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 627' ' ' ALA . . . . . . . . . . . . . . . -43.48 139.78 1.95 Allowed 'General case' 0 N--CA 1.489 1.515 0 CA-C-N 114.985 -1.007 . . . . 0.0 111.455 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 628' ' ' LYS . . . . . . . . . . . . . 50.3 tttp -113.88 92.12 3.87 Favored 'General case' 0 N--CA 1.497 1.876 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 178.52 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 629' ' ' CYS . . . . . . . . . . . . . 88.8 m -54.18 116.52 2.64 Favored 'General case' 0 N--CA 1.493 1.684 0 CA-C-O 122.353 1.073 . . . . 0.0 111.616 -178.138 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 630' ' ' SER . . . . . . . . . . . . . 40.1 t -142.84 159.87 41.41 Favored 'General case' 0 N--CA 1.493 1.721 0 N-CA-C 107.902 -1.147 . . . . 0.0 107.902 178.628 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 631' ' ' GLU . . . . . 0.515 ' C ' ' H ' ' B' ' 633' ' ' GLY . 6.9 pt-20 -63.86 -22.99 67.18 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.44 -1.413 . . . . 0.0 109.223 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 52.4 mtp180 -79.29 34.39 0.25 Allowed 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 177.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 633' ' ' GLY . . . . . 0.515 ' H ' ' C ' ' B' ' 631' ' ' GLU . . . 70.74 -170.35 46.56 Favored Glycine 0 N--CA 1.49 2.283 0 N-CA-C 107.487 -2.245 . . . . 0.0 107.487 -178.298 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 634' ' ' VAL . . . . . 0.751 ' H ' HH21 ' B' ' 597' ' ' ARG . 54.8 t -77.4 142.22 14.52 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.438 0 O-C-N 120.399 -1.648 . . . . 0.0 109.052 179.427 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 26.0 m -137.38 139.69 43.25 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.04 0 O-C-N 121.114 -0.991 . . . . 0.0 109.425 179.344 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 636' ' ' ILE . . . . . 0.465 ' O ' HD12 ' B' ' 596' ' ' LEU . 88.8 mt -128.7 152.9 37.49 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.022 0 O-C-N 121.62 -0.675 . . . . 0.0 109.362 -179.571 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 637' ' ' ASN . . . . . 0.508 ' O ' ' N ' ' B' ' 639' ' ' GLU . 7.4 m-20 -85.02 124.49 31.77 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.005 -1.059 . . . . 0.0 109.013 179.398 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 638' ' ' ALA . . . . . 0.417 ' O ' ' OE1' ' B' ' 642' ' ' GLN . . . -46.97 -11.82 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.794 -0.566 . . . . 0.0 110.647 -179.344 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 639' ' ' GLU . . . . . 0.508 ' N ' ' O ' ' B' ' 637' ' ' ASN . 52.4 tt0 -81.56 -20.42 39.98 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.955 -1.091 . . . . 0.0 110.333 -179.543 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 640' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -82.34 -56.81 3.67 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 120.356 -1.465 . . . . 0.0 107.665 178.04 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 641' ' ' VAL . . . . . 0.606 HG13 ' N ' ' B' ' 642' ' ' GLN . 6.3 p -52.35 -50.84 36.33 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.55 0 O-C-N 120.985 -1.072 . . . . 0.0 108.427 177.604 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 642' ' ' GLN . . . . . 0.606 ' N ' HG13 ' B' ' 641' ' ' VAL . 66.0 mt-30 -49.33 -36.15 20.42 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.932 -1.105 . . . . 0.0 108.623 179.503 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 643' ' ' LEU . . . . . . . . . . . . . 50.8 mt -78.6 -20.6 50.11 Favored 'General case' 0 N--CA 1.491 1.59 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 177.712 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 644' ' ' ALA . . . . . 0.534 ' N ' ' O ' ' B' ' 641' ' ' VAL . . . -86.25 -48.28 8.67 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.993 -1.067 . . . . 0.0 108.553 177.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 645' ' ' LEU . . . . . . . . . . . . . 84.5 mt -60.63 -25.33 66.22 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.016 -1.052 . . . . 0.0 108.928 179.057 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 646' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -93.96 -8.6 39.6 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.386 -0.821 . . . . 0.0 109.601 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 647' ' ' LYS . . . . . 0.527 ' C ' ' H ' ' B' ' 649' ' ' MET . 27.2 ttpp -74.44 -83.67 0.05 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.149 -0.969 . . . . 0.0 110.383 -179.204 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 648' ' ' HIS . . . . . . . . . . . . . 2.6 p80 -67.81 29.5 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.087 -1.008 . . . . 0.0 110.495 -178.365 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 649' ' ' MET . . . . . 0.527 ' H ' ' C ' ' B' ' 647' ' ' LYS . 4.8 tpt -91.26 103.8 16.42 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.911 -1.118 . . . . 0.0 109.31 -179.712 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 650' ' ' ASN . . . . . . . . . . . . . 61.5 t-20 . . . . . 0 N--CA 1.489 1.507 0 CA-C-O 117.928 -1.034 . . . . 0.0 109.475 179.994 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 301' ' ' GLU . . . . . 0.421 ' OE2' ' N ' ' A' ' 302' ' ' PHE . 1.4 pp20? . . . . . 0 N--CA 1.495 1.797 0 N-CA-C 106.821 -1.548 . . . . 0.0 106.821 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 302' ' ' PHE . . . . . 0.421 ' N ' ' OE2' ' A' ' 301' ' ' GLU . 47.0 t80 -68.74 -65.34 0.71 Allowed 'General case' 0 C--N 1.302 -1.475 0 CA-C-N 114.363 -1.29 . . . . 0.0 109.274 178.451 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 303' ' ' CYS . . . . . . . . . . . . . 5.4 t -65.41 -35.25 80.38 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.18 -0.95 . . . . 0.0 109.632 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 7.0 t -52.59 -31.67 37.47 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.59 -0.694 . . . . 0.0 111.325 -178.862 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . 43.0 mtpt -99.85 -14.88 18.6 Favored 'General case' 0 N--CA 1.507 2.407 0 O-C-N 120.917 -1.115 . . . . 0.0 109.257 178.858 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 306' ' ' MET . . . . . 0.549 ' O ' HG12 ' A' ' 309' ' ' VAL . 31.1 mmm -73.23 -24.63 60.51 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 120.317 -1.489 . . . . 0.0 107.215 176.846 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 307' ' ' ASN . . . . . 0.418 ' O ' ' C ' ' A' ' 308' ' ' GLN . 35.5 t30 -85.15 -37.8 19.77 Favored 'General case' 0 N--CA 1.495 1.804 0 N-CA-C 106.467 -1.679 . . . . 0.0 106.467 178.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 308' ' ' GLN . . . . . 0.559 ' O ' ' N ' ' A' ' 310' ' ' CYS . 8.0 tt0 -38.38 -38.47 0.37 Allowed 'General case' 0 N--CA 1.504 2.237 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 178.541 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 309' ' ' VAL . . . . . 0.549 HG12 ' O ' ' A' ' 306' ' ' MET . 13.5 p -45.28 -14.17 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.501 2.08 0 O-C-N 121.716 -0.615 . . . . 0.0 109.392 178.559 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 310' ' ' CYS . . . . . 0.559 ' N ' ' O ' ' A' ' 308' ' ' GLN . 3.0 t -81.95 -61.56 1.88 Allowed 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.238 -0.914 . . . . 0.0 109.761 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 311' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.271 0 N-CA-C 109.882 -1.287 . . . . 0.0 109.882 -179.66 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 593' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.26 0 N-CA-C 109.326 -1.51 . . . . 0.0 109.326 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 594' ' ' SER . . . . . 0.411 ' C ' HD22 ' B' ' 595' ' ' LEU . 68.5 m -82.97 166.03 19.19 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.099 -1.236 . . . . 0.0 110.242 -179.797 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 595' ' ' LEU . . . . . 0.591 HD22 ' N ' ' B' ' 595' ' ' LEU . 3.9 mm? -96.01 125.77 40.79 Favored 'General case' 0 C--N 1.301 -1.507 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 179.699 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 596' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -128.34 152.73 47.81 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.365 -0.835 . . . . 0.0 109.558 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 597' ' ' ARG . . . . . . . . . . . . . 27.9 mtp180 -97.75 -138.03 0.28 Allowed 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.373 -0.829 . . . . 0.0 110.426 -178.803 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 598' ' ' CYS . . . . . 0.412 ' C ' ' N ' ' B' ' 600' ' ' GLU . 2.6 p -86.91 -93.71 0.09 Allowed 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.447 -0.783 . . . . 0.0 110.367 -179.014 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 599' ' ' SER . . . . . 0.424 ' O ' ' N ' ' B' ' 602' ' ' TRP . 15.2 m -44.91 -25.34 0.3 Allowed 'General case' 0 N--CA 1.497 1.923 0 CA-C-O 122.175 0.988 . . . . 0.0 109.003 -179.651 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 600' ' ' GLU . . . . . 0.415 ' OE1' ' O ' ' B' ' 600' ' ' GLU . 2.0 tm-20 -45.16 -41.81 8.47 Favored 'General case' 0 C--N 1.303 -1.434 0 CA-C-O 122.672 1.225 . . . . 0.0 108.697 178.746 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 601' ' ' ILE . . . . . 0.537 ' O ' ' N ' ' B' ' 604' ' ' ARG . 2.5 mt -70.67 -32.8 50.58 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.301 0 CA-C-N 115.474 -0.785 . . . . 0.0 108.931 -177.663 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 602' ' ' TRP . . . . . 0.424 ' N ' ' O ' ' B' ' 599' ' ' SER . 61.6 t-105 -45.33 -36.83 4.39 Favored 'General case' 0 N--CA 1.492 1.658 0 N-CA-C 107.395 -1.335 . . . . 0.0 107.395 179.397 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 603' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -70.38 -43.43 70.12 Favored 'General case' 0 C--N 1.303 -1.443 0 N-CA-C 107.798 -1.186 . . . . 0.0 107.798 177.621 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 604' ' ' ARG . . . . . 0.621 HH21 HE22 ' B' ' 642' ' ' GLN . 0.2 OUTLIER -56.14 -30.19 61.8 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.248 -0.908 . . . . 0.0 108.839 179.063 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 605' ' ' ILE . . . . . . . . . . . . . 97.2 mt -79.93 -45.25 22.88 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 O-C-N 121.261 -0.899 . . . . 0.0 110.102 179.487 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 606' ' ' THR . . . . . . . . . . . . . 30.5 p . . . . . 0 N--CA 1.492 1.626 0 O-C-N 120.943 -1.098 . . . . 0.0 110.188 -179.253 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 614' ' ' ILE . . . . . 0.664 HG22 ' N ' ' B' ' 615' ' ' ASP . 76.6 mt . . . . . 0 N--CA 1.5 2.028 0 CA-C-O 121.16 0.505 . . . . 0.0 109.677 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 615' ' ' ASP . . . . . 0.664 ' N ' HG22 ' B' ' 614' ' ' ILE . 1.1 m-20 -127.76 117.86 22.67 Favored 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 179.421 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 616' ' ' VAL . . . . . . . . . . . . . 58.9 t -82.22 -16.27 11.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.48 -0.762 . . . . 0.0 109.522 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 617' ' ' ASP . . . . . 0.494 ' OD1' ' N ' ' B' ' 618' ' ' GLY . 1.7 p30 -66.29 -46.24 77.67 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.26 -0.9 . . . . 0.0 110.783 -178.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 618' ' ' GLY . . . . . 0.494 ' N ' ' OD1' ' B' ' 617' ' ' ASP . . . -66.63 -32.91 82.86 Favored Glycine 0 N--CA 1.492 2.391 0 C-N-CA 119.773 -1.204 . . . . 0.0 110.301 -179.132 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 619' ' ' LEU . . . . . . . . . . . . . 4.3 mt -68.15 -19.78 64.84 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 120.899 -1.353 . . . . 0.0 108.184 179.53 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 620' ' ' CYS . . . . . . . . . . . . . 15.7 t -73.85 -52.52 12.75 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.539 -0.726 . . . . 0.0 110.815 -179.689 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 86.3 p -83.03 -1.78 53.57 Favored 'General case' 0 N--CA 1.503 2.178 0 O-C-N 120.642 -1.287 . . . . 0.0 110.262 -179.252 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 622' ' ' GLU . . . . . 0.426 ' OE1' ' O ' ' B' ' 618' ' ' GLY . 47.2 mt-10 -98.07 -48.14 5.24 Favored 'General case' 0 C--N 1.297 -1.705 0 O-C-N 121.275 -0.891 . . . . 0.0 109.428 178.584 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 623' ' ' LEU . . . . . 0.426 ' N ' HD12 ' B' ' 623' ' ' LEU . 7.3 mp -87.38 -19.32 28.28 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 120.861 -1.149 . . . . 0.0 110.742 -179.444 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 624' ' ' MET . . . . . 0.45 ' SD ' ' C ' ' B' ' 624' ' ' MET . 2.1 tmt? -69.49 -28.0 65.69 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 120.617 -1.302 . . . . 0.0 111.107 -178.883 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 625' ' ' ALA . . . . . 0.416 ' C ' ' N ' ' B' ' 627' ' ' ALA . . . -104.48 -39.01 6.57 Favored 'General case' 0 N--CA 1.503 2.211 0 O-C-N 120.863 -1.148 . . . . 0.0 108.865 179.308 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 626' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -61.02 -15.35 31.09 Favored 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 106.48 -1.674 . . . . 0.0 106.48 177.359 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 627' ' ' ALA . . . . . 0.416 ' N ' ' C ' ' B' ' 625' ' ' ALA . . . -47.76 147.65 1.84 Allowed 'General case' 0 N--CA 1.49 1.545 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.652 -179.557 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 628' ' ' LYS . . . . . . . . . . . . . 58.8 tttp -121.71 87.15 2.7 Favored 'General case' 0 N--CA 1.496 1.848 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 178.35 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 629' ' ' CYS . . . . . . . . . . . . . 16.6 t -50.55 133.11 25.5 Favored 'General case' 0 N--CA 1.495 1.78 0 CA-C-O 122.349 1.071 . . . . 0.0 111.931 -177.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 630' ' ' SER . . . . . . . . . . . . . 8.5 t -142.88 160.03 41.11 Favored 'General case' 0 N--CA 1.493 1.676 0 N-CA-C 107.481 -1.303 . . . . 0.0 107.481 178.223 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 631' ' ' GLU . . . . . . . . . . . . . 48.5 tt0 -65.8 -20.61 66.32 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.342 -1.474 . . . . 0.0 109.891 -179.444 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 11.1 tpt180 -82.66 -15.9 50.3 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.916 -1.115 . . . . 0.0 108.051 178.793 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 633' ' ' GLY . . . . . . . . . . . . . . . 132.67 -175.07 20.17 Favored Glycine 0 N--CA 1.497 2.764 0 N-CA-C 108.508 -1.837 . . . . 0.0 108.508 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 634' ' ' VAL . . . . . 0.47 ' H ' HG12 ' B' ' 634' ' ' VAL . 1.4 p -76.8 145.05 10.88 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.347 0 O-C-N 120.819 -1.401 . . . . 0.0 109.461 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 36.0 m -141.04 138.71 34.1 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.835 0 O-C-N 121.146 -0.971 . . . . 0.0 108.879 178.853 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 636' ' ' ILE . . . . . . . . . . . . . 95.2 mt -133.25 154.36 39.1 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.004 0 O-C-N 121.527 -0.733 . . . . 0.0 109.447 -179.478 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 637' ' ' ASN . . . . . 0.489 ' O ' ' N ' ' B' ' 639' ' ' GLU . 60.0 t30 -84.36 136.25 33.96 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.267 -0.896 . . . . 0.0 109.584 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -49.18 -9.47 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.614 -0.679 . . . . 0.0 110.509 179.669 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 639' ' ' GLU . . . . . 0.489 ' N ' ' O ' ' B' ' 637' ' ' ASN . 51.1 tt0 -80.94 -23.94 38.51 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.762 -1.211 . . . . 0.0 111.242 -179.321 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 640' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -85.72 -59.82 2.2 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 120.137 -1.602 . . . . 0.0 108.192 178.148 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 641' ' ' VAL . . . . . 0.663 HG13 ' N ' ' B' ' 642' ' ' GLN . 11.8 p -48.6 -52.49 8.78 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 120.957 -1.089 . . . . 0.0 108.747 178.085 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 642' ' ' GLN . . . . . 0.663 ' N ' HG13 ' B' ' 641' ' ' VAL . 8.3 tp-100 -54.84 -33.39 61.64 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.98 -1.075 . . . . 0.0 109.073 179.51 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 643' ' ' LEU . . . . . . . . . . . . . 9.6 tp -77.82 -22.74 49.54 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.239 -0.913 . . . . 0.0 108.588 178.348 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 644' ' ' ALA . . . . . . . . . . . . . . . -87.58 -53.37 4.83 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.049 -1.032 . . . . 0.0 108.655 178.144 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 645' ' ' LEU . . . . . . . . . . . . . 75.1 mt -55.88 -26.82 48.95 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.19 -0.944 . . . . 0.0 109.608 179.411 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 646' ' ' ASN . . . . . 0.467 ' ND2' ' OE1' ' B' ' 642' ' ' GLN . 83.2 m-20 -93.82 -7.38 43.5 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.0 -1.062 . . . . 0.0 110.102 -179.574 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 647' ' ' LYS . . . . . . . . . . . . . 56.0 tttm -92.79 -12.75 30.43 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.046 -1.034 . . . . 0.0 110.02 -179.647 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 648' ' ' HIS . . . . . 0.404 ' NE2' ' CD ' ' B' ' 622' ' ' GLU . 5.0 m-70 -117.22 15.17 14.92 Favored 'General case' 0 N--CA 1.502 2.168 0 O-C-N 121.355 -0.84 . . . . 0.0 109.894 -179.5 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 649' ' ' MET . . . . . . . . . . . . . 18.5 ttm -96.77 102.87 14.73 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.226 -0.921 . . . . 0.0 109.615 -179.368 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 650' ' ' ASN . . . . . . . . . . . . . 30.4 m120 . . . . . 0 N--CA 1.49 1.553 0 CA-C-O 117.998 -1.001 . . . . 0.0 109.481 179.928 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 301' ' ' GLU . . . . . 0.449 ' N ' ' CD ' ' A' ' 301' ' ' GLU . 11.5 mp0 . . . . . 0 N--CA 1.493 1.675 0 N-CA-C 105.964 -1.865 . . . . 0.0 105.964 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 302' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -72.94 -64.78 0.9 Allowed 'General case' 0 C--N 1.306 -1.32 0 CA-C-N 114.263 -1.335 . . . . 0.0 109.377 178.299 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 303' ' ' CYS . . . . . . . . . . . . . 9.7 m -63.25 -47.55 81.96 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.238 -0.914 . . . . 0.0 109.993 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 34.5 t -49.23 -32.67 11.05 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.348 -0.845 . . . . 0.0 110.949 -179.125 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . 11.0 mptt -100.33 -13.46 18.79 Favored 'General case' 0 N--CA 1.503 2.194 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 178.414 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 306' ' ' MET . . . . . 0.576 ' O ' HG22 ' A' ' 309' ' ' VAL . 5.4 ttt -73.79 -29.13 62.01 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 120.487 -1.383 . . . . 0.0 107.523 177.292 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 307' ' ' ASN . . . . . 0.442 ' O ' ' C ' ' A' ' 308' ' ' GLN . 33.2 m120 -82.38 -40.12 21.76 Favored 'General case' 0 N--CA 1.492 1.625 0 N-CA-C 106.299 -1.741 . . . . 0.0 106.299 179.46 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 308' ' ' GLN . . . . . 0.522 ' O ' ' N ' ' A' ' 310' ' ' CYS . 1.4 tm0? -36.75 -39.71 0.23 Allowed 'General case' 0 N--CA 1.502 2.14 0 CA-C-O 121.54 0.686 . . . . 0.0 109.25 178.816 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 309' ' ' VAL . . . . . 0.576 HG22 ' O ' ' A' ' 306' ' ' MET . 17.5 m -44.66 -17.67 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.499 2.007 0 CA-C-O 121.553 0.692 . . . . 0.0 109.292 178.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 310' ' ' CYS . . . . . 0.522 ' N ' ' O ' ' A' ' 308' ' ' GLN . 7.4 m -93.21 25.94 3.1 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.546 -0.722 . . . . 0.0 109.211 179.68 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 311' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 308' ' ' GLN . . . . . . . . 0 N--CA 1.49 2.3 0 N-CA-C 109.526 -1.43 . . . . 0.0 109.526 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 593' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.27 0 N-CA-C 109.37 -1.492 . . . . 0.0 109.37 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 594' ' ' SER . . . . . . . . . . . . . 67.1 m -83.33 165.6 19.17 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.17 -1.194 . . . . 0.0 110.054 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 595' ' ' LEU . . . . . 0.539 ' N ' HD12 ' B' ' 595' ' ' LEU . 7.4 mp -92.08 123.61 35.56 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 179.705 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 596' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -125.94 148.0 49.35 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.348 -0.845 . . . . 0.0 109.284 -179.659 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 597' ' ' ARG . . . . . 0.536 ' NH1' ' O ' ' B' ' 632' ' ' ARG . 2.4 tpp180 -89.67 -147.72 0.18 Allowed 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.434 -0.791 . . . . 0.0 111.025 -178.201 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 598' ' ' CYS . . . . . 0.497 ' O ' ' N ' ' B' ' 600' ' ' GLU . 9.3 t -79.83 -92.25 0.05 OUTLIER 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.637 -0.665 . . . . 0.0 110.73 -178.774 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 599' ' ' SER . . . . . 0.49 ' N ' ' SG ' ' B' ' 598' ' ' CYS . 13.7 m -44.79 -20.88 0.04 OUTLIER 'General case' 0 N--CA 1.497 1.91 0 CA-C-O 122.267 1.032 . . . . 0.0 108.971 -179.525 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 600' ' ' GLU . . . . . 0.497 ' N ' ' O ' ' B' ' 598' ' ' CYS . 4.5 tp10 -48.9 -45.93 41.99 Favored 'General case' 0 C--N 1.297 -1.675 0 CA-C-O 122.96 1.362 . . . . 0.0 108.603 179.079 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 601' ' ' ILE . . . . . 0.57 ' O ' ' N ' ' B' ' 604' ' ' ARG . 1.1 mp -64.18 -33.66 63.92 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.188 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 -178.073 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 602' ' ' TRP . . . . . . . . . . . . . 48.1 t-105 -46.99 -41.33 16.12 Favored 'General case' 0 N--CA 1.493 1.712 0 N-CA-C 107.56 -1.274 . . . . 0.0 107.56 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 603' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -60.19 -41.03 92.04 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 107.138 -1.43 . . . . 0.0 107.138 177.432 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 604' ' ' ARG . . . . . 0.57 ' N ' ' O ' ' B' ' 601' ' ' ILE . 12.3 tpt180 -55.94 -46.23 78.57 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.518 -0.739 . . . . 0.0 109.091 178.6 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 605' ' ' ILE . . . . . 0.538 ' N ' HD12 ' B' ' 605' ' ' ILE . 1.8 mp -62.33 -44.87 99.65 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.92 0 O-C-N 121.237 -0.914 . . . . 0.0 109.14 178.764 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 606' ' ' THR . . . . . . . . . . . . . 66.7 p . . . . . 0 N--CA 1.491 1.59 0 O-C-N 120.904 -1.123 . . . . 0.0 110.195 -179.062 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 614' ' ' ILE . . . . . 0.642 HG22 ' N ' ' B' ' 615' ' ' ASP . 75.4 mt . . . . . 0 N--CA 1.493 1.7 0 CA-C-O 121.681 0.753 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 615' ' ' ASP . . . . . 0.642 ' N ' HG22 ' B' ' 614' ' ' ILE . 40.9 t0 -127.15 116.44 20.65 Favored 'General case' 0 N--CA 1.493 1.7 0 N-CA-C 107.91 -1.144 . . . . 0.0 107.91 179.324 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 616' ' ' VAL . . . . . . . . . . . . . 16.1 m -79.81 -15.97 13.07 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 121.518 -0.739 . . . . 0.0 109.452 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 617' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -70.12 -40.32 74.92 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.287 -0.883 . . . . 0.0 109.839 -179.62 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 618' ' ' GLY . . . . . . . . . . . . . . . -68.14 -41.13 87.55 Favored Glycine 0 N--CA 1.49 2.245 0 N-CA-C 110.055 -1.218 . . . . 0.0 110.055 -179.572 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 619' ' ' LEU . . . . . . . . . . . . . 9.3 mt -59.64 -28.92 67.65 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.054 -1.262 . . . . 0.0 108.823 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 620' ' ' CYS . . . . . . . . . . . . . 44.7 t -67.57 -51.65 47.98 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.397 -0.814 . . . . 0.0 110.869 -178.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 89.9 p -81.11 -2.0 46.59 Favored 'General case' 0 N--CA 1.5 2.06 0 O-C-N 120.441 -1.412 . . . . 0.0 109.811 -179.671 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 622' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -100.47 -46.98 5.05 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.268 -0.895 . . . . 0.0 109.41 178.46 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 623' ' ' LEU . . . . . . . . . . . . . 6.3 mt -86.24 -18.35 32.33 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 120.571 -1.33 . . . . 0.0 110.216 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 624' ' ' MET . . . . . 0.508 ' O ' HG11 ' A' ' 309' ' ' VAL . 1.1 tmt? -76.88 -26.47 54.22 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 120.747 -1.221 . . . . 0.0 111.75 -178.231 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 625' ' ' ALA . . . . . 0.481 ' C ' ' H ' ' B' ' 627' ' ' ALA . . . -105.45 -30.14 9.77 Favored 'General case' 0 N--CA 1.507 2.39 0 O-C-N 120.717 -1.239 . . . . 0.0 109.967 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 626' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -62.26 -8.27 5.52 Favored 'General case' 0 N--CA 1.49 1.533 0 N-CA-C 106.028 -1.842 . . . . 0.0 106.028 177.089 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 627' ' ' ALA . . . . . 0.481 ' H ' ' C ' ' B' ' 625' ' ' ALA . . . -46.08 143.67 2.21 Favored 'General case' 0 N--CA 1.49 1.542 0 CA-C-N 115.305 -0.862 . . . . 0.0 111.936 -179.686 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 628' ' ' LYS . . . . . . . . . . . . . 66.1 mmtt -118.21 96.16 5.2 Favored 'General case' 0 N--CA 1.495 1.819 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 178.435 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 629' ' ' CYS . . . . . . . . . . . . . 18.3 t -56.48 120.46 7.73 Favored 'General case' 0 N--CA 1.494 1.765 0 CA-C-O 122.333 1.063 . . . . 0.0 111.83 -178.041 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 630' ' ' SER . . . . . . . . . . . . . 45.8 t -143.06 158.89 43.19 Favored 'General case' 0 N--CA 1.495 1.784 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 178.481 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 631' ' ' GLU . . . . . 0.548 ' H ' ' CD ' ' B' ' 631' ' ' GLU . 2.4 mp0 -64.17 -23.3 67.26 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.266 -1.521 . . . . 0.0 108.87 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 632' ' ' ARG . . . . . 0.587 HH11 ' CG ' ' B' ' 632' ' ' ARG . 0.1 OUTLIER -78.09 34.78 0.2 Allowed 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 107.279 -1.378 . . . . 0.0 107.279 177.649 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 633' ' ' GLY . . . . . 0.533 ' H ' ' C ' ' B' ' 631' ' ' GLU . . . 68.74 -169.25 42.15 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 107.219 -2.353 . . . . 0.0 107.219 -178.069 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 634' ' ' VAL . . . . . . . . . . . . . 7.5 p -77.31 142.21 14.54 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.535 0 O-C-N 120.22 -1.753 . . . . 0.0 109.612 179.705 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 17.1 m -136.97 138.38 45.94 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.958 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 178.703 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 636' ' ' ILE . . . . . 0.417 HG22 ' N ' ' B' ' 637' ' ' ASN . 97.6 mt -135.32 155.06 36.67 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.975 0 O-C-N 121.494 -0.754 . . . . 0.0 109.473 -179.138 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 637' ' ' ASN . . . . . 0.457 ' O ' ' N ' ' B' ' 639' ' ' GLU . 8.3 m120 -88.59 139.0 30.92 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.157 -0.964 . . . . 0.0 110.292 -179.382 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -49.39 -9.9 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.704 -0.622 . . . . 0.0 110.893 179.508 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 639' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' B' ' 637' ' ' ASN . 7.3 tm-20 -76.26 -18.31 59.06 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.882 -1.136 . . . . 0.0 109.887 179.343 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 640' ' ' ASP . . . . . 0.525 ' OD1' ' N ' ' B' ' 640' ' ' ASP . 0.6 OUTLIER -86.93 -55.8 3.68 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 120.333 -1.479 . . . . 0.0 108.658 177.811 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 641' ' ' VAL . . . . . 0.416 HG12 ' H ' ' B' ' 641' ' ' VAL . 0.3 OUTLIER -53.93 -52.95 31.17 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 O-C-N 120.661 -1.274 . . . . 0.0 108.259 178.843 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 642' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -55.44 -34.16 64.22 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.088 -1.007 . . . . 0.0 109.194 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 643' ' ' LEU . . . . . . . . . . . . . 35.6 tp -82.06 -23.62 35.73 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.283 -0.886 . . . . 0.0 108.868 178.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 644' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' B' ' 640' ' ' ASP . . . -86.13 -40.01 16.12 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 120.927 -1.108 . . . . 0.0 108.956 178.643 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 645' ' ' LEU . . . . . 0.54 ' O ' ' N ' ' B' ' 647' ' ' LYS . 82.7 mt -70.61 -68.6 0.42 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.738 -1.226 . . . . 0.0 109.257 178.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 646' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -47.12 -9.95 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.187 -0.946 . . . . 0.0 110.744 -179.232 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 647' ' ' LYS . . . . . 0.54 ' N ' ' O ' ' B' ' 645' ' ' LEU . 52.9 tttp -88.85 -12.86 40.69 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 120.828 -1.17 . . . . 0.0 109.917 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 648' ' ' HIS . . . . . . . . . . . . . 62.4 m-70 -112.37 19.57 17.51 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 121.385 -0.822 . . . . 0.0 109.14 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 649' ' ' MET . . . . . . . . . . . . . 23.7 mmt -96.47 129.25 43.88 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.271 -0.893 . . . . 0.0 109.514 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 650' ' ' ASN . . . . . . . . . . . . . 30.3 m120 . . . . . 0 N--CA 1.491 1.59 0 CA-C-O 118.019 -0.991 . . . . 0.0 109.444 -179.942 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 301' ' ' GLU . . . . . 0.431 ' OE2' ' O ' ' A' ' 301' ' ' GLU . 0.8 OUTLIER . . . . . 0 N--CA 1.49 1.542 0 CA-C-O 121.353 0.597 . . . . 0.0 109.485 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 302' ' ' PHE . . . . . . . . . . . . . 31.4 t80 -61.26 -60.62 3.46 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.392 -0.818 . . . . 0.0 109.323 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 303' ' ' CYS . . . . . . . . . . . . . 7.0 t -79.53 -49.21 12.58 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.252 -0.905 . . . . 0.0 110.173 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 31.3 t -52.89 -25.79 12.81 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.385 -0.822 . . . . 0.0 110.76 -179.124 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . 32.4 ttpt -98.57 -14.8 19.77 Favored 'General case' 0 N--CA 1.504 2.26 0 O-C-N 120.994 -1.066 . . . . 0.0 108.141 178.409 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 306' ' ' MET . . . . . . . . . . . . . 36.8 ttm -74.67 -21.41 59.43 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 176.708 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 307' ' ' ASN . . . . . 0.46 ' O ' ' N ' ' A' ' 310' ' ' CYS . 74.0 m-20 -84.62 -40.29 17.65 Favored 'General case' 0 N--CA 1.492 1.666 0 N-CA-C 106.033 -1.84 . . . . 0.0 106.033 178.296 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 308' ' ' GLN . . . . . 0.527 ' O ' ' N ' ' A' ' 311' ' ' GLY . 32.0 tp60 -38.39 -43.61 0.84 Allowed 'General case' 0 N--CA 1.502 2.139 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.375 178.22 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 309' ' ' VAL . . . . . 0.4 HG21 ' O ' ' B' ' 624' ' ' MET . 42.6 t -46.91 -16.36 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.893 0 CA-C-O 122.133 0.968 . . . . 0.0 108.951 179.497 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 310' ' ' CYS . . . . . 0.52 ' N ' ' O ' ' A' ' 308' ' ' GLN . 47.1 m -88.38 12.75 13.34 Favored 'General case' 0 C--N 1.302 -1.459 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.652 179.551 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 311' ' ' GLY . . . . . 0.527 ' N ' ' O ' ' A' ' 308' ' ' GLN . . . . . . . . 0 N--CA 1.493 2.453 0 N-CA-C 109.411 -1.476 . . . . 0.0 109.411 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 593' ' ' GLY . . . . . 0.515 ' O ' ' ND2' ' B' ' 637' ' ' ASN . . . . . . . . 0 N--CA 1.488 2.133 0 N-CA-C 109.062 -1.615 . . . . 0.0 109.062 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 594' ' ' SER . . . . . . . . . . . . . 57.9 m -90.93 164.25 14.08 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.127 -1.219 . . . . 0.0 110.34 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 595' ' ' LEU . . . . . . . . . . . . . 30.4 mt -81.41 118.7 22.9 Favored 'General case' 0 C--N 1.299 -1.612 0 N-CA-C 108.75 -0.834 . . . . 0.0 108.75 179.234 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 596' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -126.98 153.88 45.31 Favored 'General case' 0 N--CA 1.506 2.341 0 O-C-N 121.461 -0.774 . . . . 0.0 109.101 -179.078 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 597' ' ' ARG . . . . . 0.572 HH11 ' CG ' ' B' ' 597' ' ' ARG . 3.4 mtt-85 -103.45 -144.48 0.36 Allowed 'General case' 0 N--CA 1.501 2.107 0 O-C-N 121.418 -0.801 . . . . 0.0 111.359 -178.309 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 598' ' ' CYS . . . . . 0.492 ' O ' ' N ' ' B' ' 600' ' ' GLU . 5.1 p -76.02 -99.73 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.619 -0.676 . . . . 0.0 111.226 -178.366 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 599' ' ' SER . . . . . 0.412 ' N ' ' SG ' ' B' ' 598' ' ' CYS . 1.8 t -43.79 -21.6 0.04 OUTLIER 'General case' 0 N--CA 1.497 1.906 0 CA-C-O 121.855 0.836 . . . . 0.0 109.526 -178.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 600' ' ' GLU . . . . . 0.492 ' N ' ' O ' ' B' ' 598' ' ' CYS . 9.6 tp10 -46.72 -40.75 13.95 Favored 'General case' 0 C--N 1.302 -1.481 0 CA-C-O 122.961 1.363 . . . . 0.0 108.459 179.039 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 601' ' ' ILE . . . . . 0.528 ' O ' ' N ' ' B' ' 604' ' ' ARG . 1.1 mp -70.51 -35.8 63.26 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.151 0 CA-C-N 115.243 -0.89 . . . . 0.0 108.932 -178.759 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 602' ' ' TRP . . . . . 0.409 ' C ' ' O ' ' B' ' 601' ' ' ILE . 72.9 t-105 -44.22 -38.07 3.57 Favored 'General case' 0 N--CA 1.496 1.837 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 603' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -69.71 -42.6 73.83 Favored 'General case' 0 C--N 1.302 -1.463 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 177.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 604' ' ' ARG . . . . . 0.528 ' N ' ' O ' ' B' ' 601' ' ' ILE . 13.6 tpt180 -58.05 -27.76 63.9 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.441 -0.787 . . . . 0.0 110.02 179.256 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 605' ' ' ILE . . . . . . . . . . . . . 69.5 mt -84.25 -42.87 17.29 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.922 0 O-C-N 121.372 -0.83 . . . . 0.0 110.637 -179.214 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 606' ' ' THR . . . . . . . . . . . . . 40.9 p . . . . . 0 N--CA 1.492 1.656 0 O-C-N 120.936 -1.103 . . . . 0.0 110.056 -179.233 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 614' ' ' ILE . . . . . 0.67 HG22 ' N ' ' B' ' 615' ' ' ASP . 94.5 mt . . . . . 0 N--CA 1.5 2.051 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 615' ' ' ASP . . . . . 0.67 ' N ' HG22 ' B' ' 614' ' ' ILE . 3.6 m-20 -113.26 109.89 19.48 Favored 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 107.179 -1.415 . . . . 0.0 107.179 178.44 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 616' ' ' VAL . . . . . 0.431 ' O ' ' SG ' ' B' ' 620' ' ' CYS . 1.4 p -78.52 -16.32 13.71 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.57 0 O-C-N 121.354 -0.841 . . . . 0.0 109.16 -179.105 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 617' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -77.02 -39.21 51.02 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.308 -0.87 . . . . 0.0 110.462 -179.446 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 618' ' ' GLY . . . . . . . . . . . . . . . -69.78 -49.59 35.11 Favored Glycine 0 N--CA 1.489 2.206 0 N-CA-C 109.785 -1.326 . . . . 0.0 109.785 -179.635 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 619' ' ' LEU . . . . . 0.702 ' C ' HD12 ' B' ' 619' ' ' LEU . 3.5 pp -60.63 -21.28 62.55 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.087 -1.243 . . . . 0.0 109.278 -179.785 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 620' ' ' CYS . . . . . 0.509 ' N ' HD12 ' B' ' 619' ' ' LEU . 32.9 m -69.19 -40.75 77.86 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.862 -1.149 . . . . 0.0 109.524 179.207 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 84.1 p -81.88 -2.5 51.38 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 120.839 -1.163 . . . . 0.0 109.637 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 622' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -98.25 -47.66 5.37 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.063 -1.023 . . . . 0.0 108.683 177.043 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 623' ' ' LEU . . . . . . . . . . . . . 8.2 mp -74.81 -25.97 59.4 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.792 -1.192 . . . . 0.0 109.815 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 624' ' ' MET . . . . . 0.487 ' SD ' ' O ' ' B' ' 620' ' ' CYS . 58.5 mtp -73.66 -31.35 63.44 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.938 -1.101 . . . . 0.0 111.775 -178.114 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 625' ' ' ALA . . . . . . . . . . . . . . . -98.37 -15.8 19.56 Favored 'General case' 0 N--CA 1.504 2.244 0 O-C-N 120.726 -1.234 . . . . 0.0 108.752 179.056 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 626' ' ' LYS . . . . . . . . . . . . . 54.5 mmtt -80.89 -10.9 59.67 Favored 'General case' 0 C--N 1.299 -1.587 0 N-CA-C 104.902 -2.258 . . . . 0.0 104.902 175.158 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 627' ' ' ALA . . . . . . . . . . . . . . . -49.99 104.38 0.07 Allowed 'General case' 0 N--CA 1.489 1.488 0 CA-C-N 114.666 -1.152 . . . . 0.0 111.379 -179.606 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 628' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -80.13 89.92 5.44 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 106.706 -1.59 . . . . 0.0 106.706 177.673 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 629' ' ' CYS . . . . . . . . . . . . . 63.7 m -55.56 139.3 44.6 Favored 'General case' 0 N--CA 1.493 1.69 0 CA-C-O 122.399 1.095 . . . . 0.0 112.188 -177.314 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 630' ' ' SER . . . . . . . . . . . . . 5.3 t -141.9 162.22 36.02 Favored 'General case' 0 N--CA 1.494 1.753 0 N-CA-C 107.369 -1.345 . . . . 0.0 107.369 178.294 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 631' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -68.09 -28.7 67.57 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.463 -1.398 . . . . 0.0 110.374 -178.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 21.3 mmt180 -76.28 -16.74 59.72 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.753 -1.217 . . . . 0.0 108.622 179.483 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 633' ' ' GLY . . . . . . . . . . . . . . . 140.79 -178.41 20.1 Favored Glycine 0 N--CA 1.496 2.654 0 N-CA-C 108.466 -1.853 . . . . 0.0 108.466 -179.468 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 634' ' ' VAL . . . . . . . . . . . . . 32.1 m -78.59 157.8 4.88 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.335 0 O-C-N 120.516 -1.579 . . . . 0.0 110.155 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 1.7 m -148.26 139.03 17.26 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 178.081 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 636' ' ' ILE . . . . . . . . . . . . . 61.2 mt -129.0 144.67 37.46 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.993 0 O-C-N 121.526 -0.734 . . . . 0.0 109.503 -179.286 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 637' ' ' ASN . . . . . 0.515 ' ND2' ' O ' ' B' ' 593' ' ' GLY . 12.3 t-20 -84.01 135.78 34.3 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.298 -0.876 . . . . 0.0 108.842 179.417 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -49.34 -10.77 0.04 OUTLIER 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.363 -0.836 . . . . 0.0 109.962 -179.667 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 639' ' ' GLU . . . . . 0.498 ' N ' ' O ' ' B' ' 637' ' ' ASN . 6.1 tm-20 -83.15 -26.66 30.72 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.123 -0.986 . . . . 0.0 111.383 -178.656 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 640' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -78.11 -47.99 16.99 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 119.853 -1.779 . . . . 0.0 107.794 178.834 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 641' ' ' VAL . . . . . 0.554 HG13 ' N ' ' B' ' 642' ' ' GLN . 4.7 p -57.9 -51.36 71.52 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.623 0 O-C-N 121.256 -0.902 . . . . 0.0 108.659 177.387 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 642' ' ' GLN . . . . . 0.554 ' N ' HG13 ' B' ' 641' ' ' VAL . 26.3 mt-30 -48.1 -33.72 8.64 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 120.803 -1.185 . . . . 0.0 109.277 179.734 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 643' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -79.3 -24.73 42.65 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.273 -0.892 . . . . 0.0 109.373 178.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 644' ' ' ALA . . . . . 0.488 ' O ' ' CE1' ' B' ' 648' ' ' HIS . . . -86.2 -35.44 20.06 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 120.557 -1.339 . . . . 0.0 109.777 178.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 645' ' ' LEU . . . . . . . . . . . . . 81.3 mt -76.09 -23.68 54.99 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.763 -1.211 . . . . 0.0 109.122 179.759 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 646' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -93.53 -12.06 30.48 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.359 -0.838 . . . . 0.0 110.033 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 647' ' ' LYS . . . . . 0.426 ' C ' ' H ' ' B' ' 649' ' ' MET . 37.9 ttpt -67.7 -80.06 0.05 OUTLIER 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.994 -1.066 . . . . 0.0 110.538 -179.209 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 648' ' ' HIS . . . . . 0.51 ' CD2' ' HB2' ' B' ' 615' ' ' ASP . 0.0 OUTLIER -74.69 35.71 0.1 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.22 -0.925 . . . . 0.0 110.004 -178.696 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 649' ' ' MET . . . . . 0.426 ' H ' ' C ' ' B' ' 647' ' ' LYS . 0.8 OUTLIER -93.0 135.69 33.93 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.964 -1.085 . . . . 0.0 109.512 -179.946 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 650' ' ' ASN . . . . . . . . . . . . . 48.4 t30 . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 117.98 -1.01 . . . . 0.0 109.505 179.983 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 301' ' ' GLU . . . . . 0.443 ' O ' ' CG ' ' A' ' 305' ' ' LYS . 32.3 tt0 . . . . . 0 N--CA 1.494 1.775 0 N-CA-C 107.055 -1.461 . . . . 0.0 107.055 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 302' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -70.77 -65.32 0.75 Allowed 'General case' 0 C--N 1.299 -1.616 0 CA-C-N 114.233 -1.349 . . . . 0.0 109.818 179.402 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 303' ' ' CYS . . . . . 0.451 ' O ' ' N ' ' A' ' 306' ' ' MET . 5.2 t -66.65 -51.34 57.28 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.241 -0.912 . . . . 0.0 109.483 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 19.5 m -48.83 -25.02 1.65 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.388 -0.82 . . . . 0.0 110.163 -179.684 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 305' ' ' LYS . . . . . 0.443 ' CG ' ' O ' ' A' ' 301' ' ' GLU . 4.7 mmmm -101.14 -13.61 18.09 Favored 'General case' 0 N--CA 1.5 2.074 0 N-CA-C 108.18 -1.044 . . . . 0.0 108.18 177.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 306' ' ' MET . . . . . 0.451 ' N ' ' O ' ' A' ' 303' ' ' CYS . 9.3 ttt -74.25 -25.44 59.63 Favored 'General case' 0 C--N 1.301 -1.509 0 N-CA-C 107.702 -1.221 . . . . 0.0 107.702 177.374 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 307' ' ' ASN . . . . . 0.427 ' O ' ' C ' ' A' ' 308' ' ' GLN . 21.0 t-20 -86.72 -40.0 15.47 Favored 'General case' 0 N--CA 1.493 1.696 0 N-CA-C 106.349 -1.723 . . . . 0.0 106.349 178.395 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 308' ' ' GLN . . . . . 0.529 ' O ' ' N ' ' A' ' 310' ' ' CYS . 32.8 tt0 -36.13 -42.73 0.31 Allowed 'General case' 0 N--CA 1.501 2.102 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.057 178.852 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 309' ' ' VAL . . . . . . . . . . . . . 11.8 t -45.29 -16.74 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.499 2.011 0 CA-C-O 121.908 0.861 . . . . 0.0 109.513 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 310' ' ' CYS . . . . . 0.529 ' N ' ' O ' ' A' ' 308' ' ' GLN . 0.5 OUTLIER -88.71 14.89 9.13 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.697 -0.627 . . . . 0.0 109.498 179.476 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 311' ' ' GLY . . . . . 0.518 ' N ' ' O ' ' A' ' 308' ' ' GLN . . . . . . . . 0 N--CA 1.49 2.28 0 N-CA-C 109.359 -1.497 . . . . 0.0 109.359 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 593' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.998 0 N-CA-C 109.023 -1.631 . . . . 0.0 109.023 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 594' ' ' SER . . . . . . . . . . . . . 65.8 m -124.8 166.25 16.56 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.686 -0.89 . . . . 0.0 110.057 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 595' ' ' LEU . . . . . 0.573 HD22 ' N ' ' B' ' 595' ' ' LEU . 3.8 mm? -94.07 124.91 38.38 Favored 'General case' 0 C--N 1.3 -1.57 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 179.364 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 596' ' ' LEU . . . . . . . . . . . . . 1.3 mp -128.54 153.7 46.92 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.34 -0.85 . . . . 0.0 109.573 -179.713 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 597' ' ' ARG . . . . . . . . . . . . . 40.3 mtp180 -102.59 -146.9 0.37 Allowed 'General case' 0 N--CA 1.501 2.113 0 CA-C-O 121.802 0.811 . . . . 0.0 111.521 -178.014 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 598' ' ' CYS . . . . . 0.615 ' SG ' ' N ' ' B' ' 599' ' ' SER . 14.8 t -69.64 -104.44 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.858 -0.526 . . . . 0.0 111.6 -177.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 599' ' ' SER . . . . . 0.615 ' N ' ' SG ' ' B' ' 598' ' ' CYS . 41.7 m -45.0 -18.0 0.02 OUTLIER 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.129 -0.982 . . . . 0.0 109.487 -178.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 600' ' ' GLU . . . . . 0.524 ' N ' ' O ' ' B' ' 598' ' ' CYS . 8.6 tp10 -46.41 -40.46 12.19 Favored 'General case' 0 C--N 1.3 -1.578 0 CA-C-O 122.341 1.067 . . . . 0.0 109.015 179.389 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 601' ' ' ILE . . . . . 0.576 ' O ' ' N ' ' B' ' 604' ' ' ARG . 1.2 mp -68.13 -35.11 70.25 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.163 0 N-CA-C 107.517 -1.29 . . . . 0.0 107.517 -178.601 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 602' ' ' TRP . . . . . 0.445 ' N ' ' O ' ' B' ' 599' ' ' SER . 46.8 t-105 -43.18 -38.05 2.34 Favored 'General case' 0 N--CA 1.494 1.729 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 179.75 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 603' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -68.88 -42.77 76.54 Favored 'General case' 0 C--N 1.304 -1.374 0 N-CA-C 107.921 -1.141 . . . . 0.0 107.921 177.569 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 604' ' ' ARG . . . . . 0.576 ' N ' ' O ' ' B' ' 601' ' ' ILE . 15.6 mmt180 -56.38 -42.71 78.33 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.371 -0.831 . . . . 0.0 109.293 178.882 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 605' ' ' ILE . . . . . . . . . . . . . 17.3 mm -57.86 -48.97 82.57 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.998 0 O-C-N 121.504 -0.747 . . . . 0.0 110.312 179.283 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 606' ' ' THR . . . . . . . . . . . . . 67.1 p . . . . . 0 N--CA 1.491 1.584 0 O-C-N 120.911 -1.118 . . . . 0.0 110.087 -178.995 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 614' ' ' ILE . . . . . 0.602 HG22 ' N ' ' B' ' 615' ' ' ASP . 82.2 mt . . . . . 0 N--CA 1.494 1.762 0 CA-C-O 121.585 0.707 . . . . 0.0 110.831 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 615' ' ' ASP . . . . . 0.602 ' N ' HG22 ' B' ' 614' ' ' ILE . 1.2 m-20 -121.93 116.9 25.19 Favored 'General case' 0 N--CA 1.493 1.679 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 179.437 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 616' ' ' VAL . . . . . . . . . . . . . 41.6 t -80.05 -16.43 12.89 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.55 0 O-C-N 121.323 -0.861 . . . . 0.0 109.24 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 617' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -75.87 -43.65 44.52 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.247 -0.908 . . . . 0.0 110.449 -178.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 618' ' ' GLY . . . . . . . . . . . . . . . -67.19 -42.51 91.09 Favored Glycine 0 N--CA 1.491 2.349 0 N-CA-C 109.571 -1.411 . . . . 0.0 109.571 -179.711 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 619' ' ' LEU . . . . . 0.613 ' HG ' HD13 ' B' ' 623' ' ' LEU . 0.5 OUTLIER -63.4 -26.02 68.55 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.229 -1.159 . . . . 0.0 108.107 179.578 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 620' ' ' CYS . . . . . 0.486 ' O ' ' CG ' ' B' ' 624' ' ' MET . 14.3 t -67.78 -54.45 19.1 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.313 -0.867 . . . . 0.0 110.533 -179.704 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 37.5 t -76.61 -0.51 23.6 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 120.666 -1.271 . . . . 0.0 109.354 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 622' ' ' GLU . . . . . . . . . . . . . 53.8 tt0 -100.18 -43.77 6.19 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.235 -0.916 . . . . 0.0 109.069 177.683 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 623' ' ' LEU . . . . . 0.613 HD13 ' HG ' ' B' ' 619' ' ' LEU . 3.9 mp -86.15 -30.14 22.71 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 120.739 -1.225 . . . . 0.0 109.953 -179.847 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 624' ' ' MET . . . . . 0.486 ' CG ' ' O ' ' B' ' 620' ' ' CYS . 30.8 mmm -59.09 -31.94 69.35 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 121.033 -1.042 . . . . 0.0 111.967 -178.279 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 625' ' ' ALA . . . . . . . . . . . . . . . -103.62 -3.8 24.68 Favored 'General case' 0 N--CA 1.507 2.406 0 O-C-N 120.645 -1.284 . . . . 0.0 110.28 -179.708 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 626' ' ' LYS . . . . . . . . . . . . . 34.3 mmtm -88.19 -12.23 44.48 Favored 'General case' 0 N--CA 1.492 1.65 0 N-CA-C 106.756 -1.572 . . . . 0.0 106.756 176.51 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 627' ' ' ALA . . . . . . . . . . . . . . . -45.32 138.24 4.22 Favored 'General case' 0 N--CA 1.492 1.669 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.843 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 628' ' ' LYS . . . . . . . . . . . . . 51.0 mttp -117.52 93.42 4.16 Favored 'General case' 0 N--CA 1.499 1.977 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 178.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 629' ' ' CYS . . . . . . . . . . . . . 14.4 m -54.78 119.48 5.41 Favored 'General case' 0 N--CA 1.494 1.739 0 CA-C-O 122.401 1.096 . . . . 0.0 111.532 -178.152 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 630' ' ' SER . . . . . . . . . . . . . 44.6 t -142.58 160.15 40.86 Favored 'General case' 0 N--CA 1.494 1.751 0 N-CA-C 107.461 -1.311 . . . . 0.0 107.461 178.363 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 631' ' ' GLU . . . . . 0.491 ' C ' ' H ' ' B' ' 633' ' ' GLY . 8.6 pt-20 -64.3 -23.29 67.25 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.27 -1.519 . . . . 0.0 108.797 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 17.8 mmt180 -79.44 34.5 0.26 Allowed 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 107.391 -1.337 . . . . 0.0 107.391 177.688 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 633' ' ' GLY . . . . . 0.491 ' H ' ' C ' ' B' ' 631' ' ' GLU . . . 70.48 -169.7 46.86 Favored Glycine 0 N--CA 1.491 2.361 0 N-CA-C 107.633 -2.187 . . . . 0.0 107.633 -178.327 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 634' ' ' VAL . . . . . . . . . . . . . 9.2 p -78.48 141.98 14.72 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.408 0 O-C-N 120.399 -1.648 . . . . 0.0 109.293 179.495 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 31.3 m -133.36 138.3 51.47 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.155 0 O-C-N 121.242 -0.911 . . . . 0.0 108.934 178.819 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 636' ' ' ILE . . . . . . . . . . . . . 62.7 mt -129.91 153.8 39.4 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.924 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 -179.198 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 637' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -90.71 138.0 31.92 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.154 -0.966 . . . . 0.0 110.008 -179.678 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -53.57 -11.04 0.31 Allowed 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.69 -0.631 . . . . 0.0 111.092 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 639' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -78.16 -19.37 54.11 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.809 -1.182 . . . . 0.0 110.612 -179.685 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 640' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -86.48 -59.58 2.24 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 120.231 -1.543 . . . . 0.0 108.421 177.728 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 641' ' ' VAL . . . . . 0.462 ' HA ' HD11 ' B' ' 623' ' ' LEU . 1.9 p -51.01 -35.0 14.44 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 121.021 -1.049 . . . . 0.0 109.262 178.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 642' ' ' GLN . . . . . . . . . . . . . 40.0 tp60 -70.08 -35.01 73.89 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.216 -0.928 . . . . 0.0 109.011 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 643' ' ' LEU . . . . . . . . . . . . . 97.2 mt -83.72 -18.49 37.72 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.042 -1.036 . . . . 0.0 108.553 178.158 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 644' ' ' ALA . . . . . 0.422 ' O ' ' CD2' ' B' ' 648' ' ' HIS . . . -88.38 -34.47 17.57 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.989 -1.069 . . . . 0.0 109.202 178.511 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 645' ' ' LEU . . . . . 0.421 HD21 HD13 ' B' ' 619' ' ' LEU . 69.5 mt -87.3 -25.72 23.78 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.058 -1.026 . . . . 0.0 110.009 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 646' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -88.03 -12.96 42.82 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 120.912 -1.118 . . . . 0.0 109.754 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 647' ' ' LYS . . . . . . . . . . . . . 49.7 mtpt -96.16 -4.5 42.52 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.044 -1.035 . . . . 0.0 108.834 179.114 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 648' ' ' HIS . . . . . 0.422 ' CD2' ' O ' ' B' ' 644' ' ' ALA . 4.3 m-70 -113.25 12.29 18.9 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.631 -0.668 . . . . 0.0 109.416 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 649' ' ' MET . . . . . . . . . . . . . 50.6 tpp -95.48 128.87 42.69 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.285 -0.885 . . . . 0.0 109.497 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 650' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 . . . . . 0 N--CA 1.489 1.512 0 CA-C-O 118.032 -0.985 . . . . 0.0 109.411 180.0 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 301' ' ' GLU . . . . . . . . . . . . . 23.4 tp10 . . . . . 0 N--CA 1.493 1.709 0 N-CA-C 106.912 -1.514 . . . . 0.0 106.912 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 302' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -72.46 -57.33 4.26 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-N 114.677 -1.147 . . . . 0.0 109.711 178.841 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 303' ' ' CYS . . . . . 0.429 ' O ' ' OD1' ' A' ' 307' ' ' ASN . 23.5 m -74.84 -26.6 59.82 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.922 -1.111 . . . . 0.0 109.584 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 4.7 m -60.51 -37.34 80.8 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.361 -0.837 . . . . 0.0 111.233 -178.781 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . 34.4 mtmt -95.13 -19.01 20.46 Favored 'General case' 0 N--CA 1.506 2.347 0 O-C-N 120.841 -1.162 . . . . 0.0 108.617 178.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 306' ' ' MET . . . . . . . . . . . . . 10.2 ttm -71.7 -22.76 61.6 Favored 'General case' 0 C--N 1.296 -1.743 0 N-CA-C 107.008 -1.478 . . . . 0.0 107.008 177.126 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 307' ' ' ASN . . . . . 0.429 ' OD1' ' O ' ' A' ' 303' ' ' CYS . 5.9 m-20 -79.71 -39.58 30.86 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 106.03 -1.841 . . . . 0.0 106.03 178.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 308' ' ' GLN . . . . . 0.545 ' O ' ' N ' ' A' ' 310' ' ' CYS . 19.2 tt0 -37.4 -39.39 0.29 Allowed 'General case' 0 N--CA 1.506 2.337 0 CA-C-O 121.647 0.736 . . . . 0.0 109.022 178.071 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 309' ' ' VAL . . . . . . . . . . . . . 21.9 t -46.47 -13.4 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.5 2.027 0 C-N-CA 120.184 -0.607 . . . . 0.0 109.366 179.039 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 310' ' ' CYS . . . . . 0.545 ' N ' ' O ' ' A' ' 308' ' ' GLN . 5.4 t -84.71 -62.16 1.61 Allowed 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.524 -0.735 . . . . 0.0 109.618 179.215 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 311' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 2.8 0 N-CA-C 109.607 -1.397 . . . . 0.0 109.607 -179.737 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 593' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.321 0 N-CA-C 109.426 -1.47 . . . . 0.0 109.426 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 594' ' ' SER . . . . . 0.413 ' C ' HD22 ' B' ' 595' ' ' LEU . 61.6 m -77.83 166.85 22.4 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.152 -1.205 . . . . 0.0 110.227 -179.765 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 595' ' ' LEU . . . . . 0.711 HD22 ' N ' ' B' ' 595' ' ' LEU . 3.1 mm? -93.22 119.7 32.69 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 596' ' ' LEU . . . . . 0.773 HD11 ' HB2' ' B' ' 638' ' ' ALA . 0.2 OUTLIER -127.75 158.33 37.95 Favored 'General case' 0 N--CA 1.508 2.438 0 O-C-N 121.297 -0.877 . . . . 0.0 109.626 -179.833 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 597' ' ' ARG . . . . . 0.504 HH11 ' CG ' ' B' ' 597' ' ' ARG . 0.1 OUTLIER -100.91 -144.83 0.34 Allowed 'General case' 0 N--CA 1.5 2.058 0 O-C-N 121.39 -0.819 . . . . 0.0 110.448 -179.046 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 598' ' ' CYS . . . . . 0.497 ' O ' ' N ' ' B' ' 600' ' ' GLU . 4.6 p -81.98 -95.77 0.05 OUTLIER 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.359 -0.838 . . . . 0.0 110.948 -178.433 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 599' ' ' SER . . . . . 0.476 ' O ' ' N ' ' B' ' 602' ' ' TRP . 29.0 t -44.4 -21.19 0.04 OUTLIER 'General case' 0 N--CA 1.498 1.967 0 CA-C-O 122.208 1.004 . . . . 0.0 108.981 -179.387 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 600' ' ' GLU . . . . . 0.497 ' N ' ' O ' ' B' ' 598' ' ' CYS . 7.7 tp10 -47.32 -36.0 8.77 Favored 'General case' 0 C--N 1.304 -1.401 0 CA-C-O 122.799 1.285 . . . . 0.0 108.037 178.551 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 601' ' ' ILE . . . . . 0.56 ' O ' ' N ' ' B' ' 604' ' ' ARG . 1.3 mp -72.33 -33.01 44.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.055 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 -178.497 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 602' ' ' TRP . . . . . 0.527 ' CD1' ' OG1' ' B' ' 606' ' ' THR . 52.0 t-105 -45.61 -36.68 4.92 Favored 'General case' 0 N--CA 1.492 1.658 0 N-CA-C 107.323 -1.362 . . . . 0.0 107.323 179.597 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 603' ' ' ASP . . . . . . . . . . . . . 29.4 t0 -70.78 -41.56 71.54 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 107.724 -1.213 . . . . 0.0 107.724 177.464 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 604' ' ' ARG . . . . . 0.56 ' N ' ' O ' ' B' ' 601' ' ' ILE . 18.3 mmt-85 -59.25 -38.42 80.01 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.283 -0.886 . . . . 0.0 109.379 179.076 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 605' ' ' ILE . . . . . . . . . . . . . 73.2 mt -87.19 -50.67 13.69 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.971 0 O-C-N 121.674 -0.641 . . . . 0.0 111.223 -179.409 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 606' ' ' THR . . . . . 0.527 ' OG1' ' CD1' ' B' ' 602' ' ' TRP . 90.2 m . . . . . 0 N--CA 1.495 1.778 0 O-C-N 121.08 -1.013 . . . . 0.0 110.651 -178.6 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 614' ' ' ILE . . . . . 0.57 HG22 ' N ' ' B' ' 615' ' ' ASP . 73.9 mt . . . . . 0 N--CA 1.493 1.686 0 CA-C-O 121.588 0.709 . . . . 0.0 110.628 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 615' ' ' ASP . . . . . 0.57 ' N ' HG22 ' B' ' 614' ' ' ILE . 0.8 OUTLIER -123.87 124.95 43.77 Favored 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 179.542 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 616' ' ' VAL . . . . . . . . . . . . . 82.9 t -78.85 -17.64 13.33 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.355 -0.841 . . . . 0.0 109.394 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 617' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -77.08 -38.29 52.71 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.223 -0.923 . . . . 0.0 110.627 -179.379 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 618' ' ' GLY . . . . . 0.419 ' O ' ' OE1' ' B' ' 622' ' ' GLU . . . -66.38 -42.81 93.7 Favored Glycine 0 N--CA 1.492 2.376 0 N-CA-C 109.699 -1.36 . . . . 0.0 109.699 -179.549 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 619' ' ' LEU . . . . . 0.7 HD23 ' N ' ' B' ' 619' ' ' LEU . 0.1 OUTLIER -63.75 -25.62 68.27 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 107.447 -1.316 . . . . 0.0 107.447 179.46 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 620' ' ' CYS . . . . . 0.423 ' O ' ' CB ' ' B' ' 624' ' ' MET . 10.2 t -68.85 -58.64 3.89 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.387 -0.821 . . . . 0.0 110.989 -179.585 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 16.5 m -76.59 -2.08 30.75 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 120.384 -1.448 . . . . 0.0 110.338 -179.253 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 622' ' ' GLU . . . . . 0.516 ' OE2' ' NE2' ' B' ' 648' ' ' HIS . 47.7 mt-10 -99.28 -47.71 5.08 Favored 'General case' 0 C--N 1.297 -1.714 0 O-C-N 121.218 -0.926 . . . . 0.0 109.306 178.016 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 623' ' ' LEU . . . . . . . . . . . . . 7.0 mp -87.66 -20.78 25.83 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 120.671 -1.268 . . . . 0.0 110.378 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 624' ' ' MET . . . . . 0.423 ' CB ' ' O ' ' B' ' 620' ' ' CYS . 26.6 ttt -71.27 -31.66 67.76 Favored 'General case' 0 N--CA 1.502 2.16 0 O-C-N 120.664 -1.272 . . . . 0.0 112.498 -177.551 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 625' ' ' ALA . . . . . . . . . . . . . . . -102.69 -4.51 24.98 Favored 'General case' 0 N--CA 1.506 2.343 0 O-C-N 120.672 -1.267 . . . . 0.0 109.427 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 626' ' ' LYS . . . . . . . . . . . . . 46.9 mttp -95.1 -12.07 27.14 Favored 'General case' 0 N--CA 1.493 1.694 0 N-CA-C 106.722 -1.584 . . . . 0.0 106.722 176.546 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 627' ' ' ALA . . . . . . . . . . . . . . . -49.37 149.98 1.99 Allowed 'General case' 0 N--CA 1.493 1.702 0 CA-C-O 121.381 0.61 . . . . 0.0 110.683 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 628' ' ' LYS . . . . . . . . . . . . . 7.9 tppt? -124.35 93.28 3.86 Favored 'General case' 0 N--CA 1.499 2.008 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 179.304 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 629' ' ' CYS . . . . . . . . . . . . . 23.5 t -51.02 120.63 5.07 Favored 'General case' 0 N--CA 1.494 1.734 0 CA-C-O 122.355 1.074 . . . . 0.0 111.335 -178.375 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 630' ' ' SER . . . . . . . . . . . . . 23.0 p -143.13 159.29 42.56 Favored 'General case' 0 N--CA 1.493 1.679 0 N-CA-C 107.669 -1.234 . . . . 0.0 107.669 178.466 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 631' ' ' GLU . . . . . 0.466 ' C ' ' H ' ' B' ' 633' ' ' GLY . 43.2 tt0 -61.26 -23.57 65.76 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.401 -1.437 . . . . 0.0 108.688 179.803 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 632' ' ' ARG . . . . . 0.403 ' HB3' HH21 ' B' ' 597' ' ' ARG . 56.6 mtp180 -82.81 27.13 0.55 Allowed 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 107.323 -1.362 . . . . 0.0 107.323 177.823 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 633' ' ' GLY . . . . . 0.466 ' H ' ' C ' ' B' ' 631' ' ' GLU . . . 77.76 -169.62 54.73 Favored Glycine 0 N--CA 1.492 2.367 0 N-CA-C 108.307 -1.917 . . . . 0.0 108.307 -178.858 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 634' ' ' VAL . . . . . . . . . . . . . 32.8 m -77.94 144.05 11.9 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 O-C-N 120.689 -1.477 . . . . 0.0 109.515 179.506 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 3.7 p -135.09 143.05 38.3 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.19 0 O-C-N 121.016 -1.052 . . . . 0.0 109.644 179.072 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 636' ' ' ILE . . . . . . . . . . . . . 95.4 mt -133.31 152.83 36.2 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 -179.537 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 637' ' ' ASN . . . . . 0.423 ' O ' ' N ' ' B' ' 639' ' ' GLU . 23.5 t-20 -86.52 132.36 33.94 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.224 -0.923 . . . . 0.0 109.419 179.651 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 638' ' ' ALA . . . . . 0.773 ' HB2' HD11 ' B' ' 596' ' ' LEU . . . -50.18 -10.96 0.06 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.735 -0.603 . . . . 0.0 110.587 -179.543 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 639' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' B' ' 637' ' ' ASN . 41.1 tt0 -81.22 -21.88 39.2 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 120.78 -1.2 . . . . 0.0 110.874 -179.268 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 640' ' ' ASP . . . . . . . . . . . . . 51.9 m-20 -84.37 -56.82 3.43 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.187 -1.57 . . . . 0.0 108.088 178.081 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 641' ' ' VAL . . . . . 0.656 HG13 ' N ' ' B' ' 642' ' ' GLN . 7.6 p -51.54 -56.17 6.33 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 120.96 -1.088 . . . . 0.0 108.494 177.779 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 642' ' ' GLN . . . . . 0.656 ' N ' HG13 ' B' ' 641' ' ' VAL . 24.0 mm100 -48.45 -35.73 13.51 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.933 -1.104 . . . . 0.0 109.442 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 643' ' ' LEU . . . . . . . . . . . . . 35.5 tp -77.64 -21.59 51.98 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.147 -0.971 . . . . 0.0 108.549 178.273 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 644' ' ' ALA . . . . . 0.51 ' N ' ' O ' ' B' ' 641' ' ' VAL . . . -88.34 -46.88 8.82 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.939 -1.101 . . . . 0.0 109.36 178.44 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 645' ' ' LEU . . . . . 0.415 HD23 HD22 ' B' ' 619' ' ' LEU . 97.5 mt -66.82 -27.59 67.69 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.958 -1.089 . . . . 0.0 110.032 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 646' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -88.67 -8.04 55.3 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 120.887 -1.133 . . . . 0.0 109.32 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 647' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -97.6 -8.68 28.42 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.199 -0.938 . . . . 0.0 109.314 179.615 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 648' ' ' HIS . . . . . 0.516 ' NE2' ' OE2' ' B' ' 622' ' ' GLU . 9.9 m-70 -114.04 12.54 17.97 Favored 'General case' 0 N--CA 1.5 2.06 0 O-C-N 121.456 -0.778 . . . . 0.0 109.831 -179.731 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 649' ' ' MET . . . . . . . . . . . . . 6.8 mmt -96.25 144.13 26.71 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.126 -0.984 . . . . 0.0 109.329 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 650' ' ' ASN . . . . . . . . . . . . . 25.9 p-10 . . . . . 0 N--CA 1.49 1.554 0 CA-C-O 118.019 -0.991 . . . . 0.0 109.406 -179.983 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 301' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 . . . . . 0 N--CA 1.496 1.845 0 N-CA-C 106.3 -1.741 . . . . 0.0 106.3 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 302' ' ' PHE . . . . . 0.51 ' CE2' ' SD ' ' A' ' 306' ' ' MET . 19.9 t80 -69.58 -65.37 0.72 Allowed 'General case' 0 C--N 1.299 -1.619 0 CA-C-N 113.387 -1.733 . . . . 0.0 110.024 178.834 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 303' ' ' CYS . . . . . . . . . . . . . 8.5 t -66.71 -51.18 58.93 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.086 -1.009 . . . . 0.0 110.26 -179.515 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 36.0 t -51.52 -25.71 7.12 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.353 -0.842 . . . . 0.0 111.808 -178.519 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -100.23 -14.04 18.64 Favored 'General case' 0 N--CA 1.508 2.452 0 O-C-N 120.806 -1.184 . . . . 0.0 109.12 178.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 306' ' ' MET . . . . . 0.51 ' SD ' ' CE2' ' A' ' 302' ' ' PHE . 12.0 mtp -74.86 -25.24 58.84 Favored 'General case' 0 C--N 1.297 -1.688 0 N-CA-C 106.779 -1.563 . . . . 0.0 106.779 177.197 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 307' ' ' ASN . . . . . 0.461 ' O ' ' C ' ' A' ' 308' ' ' GLN . 20.3 t-20 -81.51 -42.85 19.63 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 106.246 -1.761 . . . . 0.0 106.246 179.083 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 308' ' ' GLN . . . . . 0.519 ' O ' ' N ' ' A' ' 310' ' ' CYS . 19.0 mt-30 -35.56 -40.51 0.17 Allowed 'General case' 0 N--CA 1.508 2.452 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 178.563 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 309' ' ' VAL . . . . . 0.42 HG23 ' H ' ' A' ' 309' ' ' VAL . 16.6 t -45.05 -17.64 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.885 0 CA-C-O 121.727 0.775 . . . . 0.0 109.412 178.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 310' ' ' CYS . . . . . 0.519 ' N ' ' O ' ' A' ' 308' ' ' GLN . 13.7 m -83.42 -52.13 6.78 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 179.778 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 311' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.247 0 N-CA-C 109.535 -1.426 . . . . 0.0 109.535 179.914 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 593' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.337 0 N-CA-C 109.638 -1.385 . . . . 0.0 109.638 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 594' ' ' SER . . . . . . . . . . . . . 62.3 m -71.32 164.51 25.58 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.171 -1.193 . . . . 0.0 109.915 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 595' ' ' LEU . . . . . 0.543 ' N ' HD12 ' B' ' 595' ' ' LEU . 7.3 mp -88.4 114.29 24.86 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 121.633 -0.667 . . . . 0.0 109.343 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 596' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -126.05 153.71 44.04 Favored 'General case' 0 N--CA 1.502 2.126 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 179.466 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 597' ' ' ARG . . . . . 0.475 ' H ' ' HG3' ' B' ' 600' ' ' GLU . 62.6 mtm180 -101.53 -134.57 0.3 Allowed 'General case' 0 N--CA 1.501 2.118 0 O-C-N 121.277 -0.889 . . . . 0.0 111.611 -177.91 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 598' ' ' CYS . . . . . 0.522 ' O ' ' N ' ' B' ' 600' ' ' GLU . 6.1 p -84.79 -102.8 0.05 Allowed 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.553 -0.717 . . . . 0.0 111.464 -177.863 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 599' ' ' SER . . . . . 0.479 ' O ' ' N ' ' B' ' 602' ' ' TRP . 29.5 t -43.53 -19.58 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.911 0 CA-C-O 121.939 0.876 . . . . 0.0 109.681 -178.87 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 600' ' ' GLU . . . . . 0.522 ' N ' ' O ' ' B' ' 598' ' ' CYS . 55.3 mm-40 -47.25 -37.21 10.12 Favored 'General case' 0 C--N 1.303 -1.446 0 CA-C-O 122.269 1.033 . . . . 0.0 108.563 179.041 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 601' ' ' ILE . . . . . 0.549 ' O ' ' N ' ' B' ' 604' ' ' ARG . 1.3 mp -71.04 -32.62 48.81 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.07 0 N-CA-C 107.783 -1.191 . . . . 0.0 107.783 -178.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 602' ' ' TRP . . . . . 0.479 ' N ' ' O ' ' B' ' 599' ' ' SER . 61.1 t-105 -44.8 -38.44 4.51 Favored 'General case' 0 N--CA 1.493 1.712 0 N-CA-C 107.465 -1.309 . . . . 0.0 107.465 179.493 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 603' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -69.75 -43.14 72.87 Favored 'General case' 0 C--N 1.302 -1.498 0 N-CA-C 107.8 -1.185 . . . . 0.0 107.8 177.522 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 604' ' ' ARG . . . . . 0.549 ' N ' ' O ' ' B' ' 601' ' ' ILE . 20.6 mmm-85 -56.75 -26.89 58.35 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.346 -0.846 . . . . 0.0 109.244 179.111 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 605' ' ' ILE . . . . . . . . . . . . . 81.0 mt -86.02 -45.75 16.89 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.829 0 O-C-N 121.457 -0.777 . . . . 0.0 110.39 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 606' ' ' THR . . . . . . . . . . . . . 21.8 p . . . . . 0 N--CA 1.49 1.548 0 O-C-N 120.972 -1.08 . . . . 0.0 110.17 -179.133 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 614' ' ' ILE . . . . . 0.405 HG22 ' H ' ' B' ' 615' ' ' ASP . 8.5 mt . . . . . 0 N--CA 1.494 1.74 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 615' ' ' ASP . . . . . 0.405 ' H ' HG22 ' B' ' 614' ' ' ILE . 6.8 m-20 -158.97 95.24 1.27 Allowed 'General case' 0 C--N 1.303 -1.431 0 N-CA-C 107.697 -1.223 . . . . 0.0 107.697 179.663 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 616' ' ' VAL . . . . . . . . . . . . . 26.9 t -82.4 -19.29 10.55 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 121.679 -0.638 . . . . 0.0 110.174 -179.36 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 617' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 -64.88 -45.96 83.79 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.216 -0.928 . . . . 0.0 110.802 -178.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 618' ' ' GLY . . . . . . . . . . . . . . . -66.31 -36.15 91.29 Favored Glycine 0 N--CA 1.494 2.524 0 C-N-CA 119.875 -1.155 . . . . 0.0 110.506 -179.036 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 619' ' ' LEU . . . . . . . . . . . . . 2.7 mt -65.91 -21.32 66.44 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.929 -1.336 . . . . 0.0 108.144 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 620' ' ' CYS . . . . . . . . . . . . . 13.9 t -69.15 -52.44 28.11 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.583 -0.698 . . . . 0.0 110.14 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 97.7 p -83.91 -1.49 54.63 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 120.706 -1.246 . . . . 0.0 110.166 -179.587 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 622' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -100.24 -47.21 5.03 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.04 -1.037 . . . . 0.0 109.629 178.639 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 623' ' ' LEU . . . . . 0.408 ' N ' HD12 ' B' ' 623' ' ' LEU . 10.0 mp -85.42 -18.81 32.56 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 120.819 -1.176 . . . . 0.0 110.067 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 624' ' ' MET . . . . . . . . . . . . . 24.6 ttt -72.87 -26.63 61.52 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.736 -1.227 . . . . 0.0 111.23 -178.675 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 625' ' ' ALA . . . . . . . . . . . . . . . -105.52 -26.77 11.76 Favored 'General case' 0 N--CA 1.504 2.231 0 O-C-N 120.887 -1.133 . . . . 0.0 109.471 179.706 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 626' ' ' LYS . . . . . . . . . . . . . 35.6 mmtm -65.15 -12.79 54.78 Favored 'General case' 0 C--N 1.3 -1.57 0 N-CA-C 106.243 -1.762 . . . . 0.0 106.243 177.017 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 627' ' ' ALA . . . . . . . . . . . . . . . -46.4 140.8 3.94 Favored 'General case' 0 N--CA 1.492 1.669 0 CA-C-N 114.979 -1.01 . . . . 0.0 111.421 -179.688 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 628' ' ' LYS . . . . . . . . . . . . . 79.0 mttt -119.0 96.36 5.21 Favored 'General case' 0 N--CA 1.498 1.927 0 N-CA-C 108.15 -1.056 . . . . 0.0 108.15 178.461 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 629' ' ' CYS . . . . . . . . . . . . . 38.9 t -54.98 116.32 2.69 Favored 'General case' 0 N--CA 1.493 1.716 0 CA-C-O 122.333 1.063 . . . . 0.0 111.9 -178.19 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 630' ' ' SER . . . . . . . . . . . . . 47.1 t -142.89 158.92 43.15 Favored 'General case' 0 N--CA 1.496 1.866 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 178.281 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 631' ' ' GLU . . . . . 0.524 ' C ' ' H ' ' B' ' 633' ' ' GLY . 9.9 mm-40 -64.21 -22.98 67.15 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.26 -1.525 . . . . 0.0 109.249 -179.763 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 632' ' ' ARG . . . . . 0.585 HH11 ' CG ' ' B' ' 632' ' ' ARG . 0.2 OUTLIER -78.06 33.61 0.19 Allowed 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 107.498 -1.297 . . . . 0.0 107.498 177.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 633' ' ' GLY . . . . . 0.524 ' H ' ' C ' ' B' ' 631' ' ' GLU . . . 71.37 -170.13 48.57 Favored Glycine 0 N--CA 1.489 2.169 0 N-CA-C 107.176 -2.37 . . . . 0.0 107.176 -178.329 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 634' ' ' VAL . . . . . . . . . . . . . 7.7 p -77.85 141.95 14.83 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.43 0 O-C-N 120.235 -1.744 . . . . 0.0 109.649 179.68 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 34.6 m -136.07 138.52 47.21 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.029 0 O-C-N 121.104 -0.997 . . . . 0.0 108.93 178.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 636' ' ' ILE . . . . . 0.407 HG22 ' N ' ' B' ' 637' ' ' ASN . 92.6 mt -133.38 154.73 39.57 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.856 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 -179.475 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 637' ' ' ASN . . . . . 0.523 ' O ' ' N ' ' B' ' 639' ' ' GLU . 16.9 m120 -87.56 133.88 33.72 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.162 -0.962 . . . . 0.0 110.119 -179.578 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -47.68 -9.55 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.713 -0.617 . . . . 0.0 110.585 179.472 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 639' ' ' GLU . . . . . 0.523 ' N ' ' O ' ' B' ' 637' ' ' ASN . 40.1 tt0 -76.62 -19.86 57.36 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.026 -1.046 . . . . 0.0 110.077 179.363 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 640' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -87.04 -49.14 7.53 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 120.249 -1.532 . . . . 0.0 109.417 178.218 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 641' ' ' VAL . . . . . 0.412 ' H ' HG12 ' B' ' 641' ' ' VAL . 0.7 OUTLIER -62.88 -49.47 83.5 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 120.699 -1.25 . . . . 0.0 109.195 179.291 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 642' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.67 -36.35 69.48 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.795 -1.191 . . . . 0.0 109.877 -179.316 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 643' ' ' LEU . . . . . 0.545 HD23 ' O ' ' B' ' 643' ' ' LEU . 1.0 OUTLIER -79.16 -17.91 54.09 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.886 -1.134 . . . . 0.0 108.505 178.464 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 644' ' ' ALA . . . . . . . . . . . . . . . -87.98 -54.35 4.27 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.791 -1.193 . . . . 0.0 109.298 178.366 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 645' ' ' LEU . . . . . . . . . . . . . 77.4 mt -61.89 -24.69 67.1 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.162 -0.961 . . . . 0.0 110.475 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 646' ' ' ASN . . . . . 0.413 ' OD1' ' N ' ' B' ' 647' ' ' LYS . 43.8 p-10 -92.56 -10.43 37.64 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 120.778 -1.201 . . . . 0.0 109.944 -179.807 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 647' ' ' LYS . . . . . 0.427 ' CB ' ' HZ2' ' B' ' 647' ' ' LYS . 7.6 ttpm? -103.55 -11.74 17.56 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.36 -0.838 . . . . 0.0 109.497 -179.715 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 648' ' ' HIS . . . . . . . . . . . . . 81.8 m-70 -111.56 6.09 19.84 Favored 'General case' 0 N--CA 1.496 1.857 0 N-CA-C 108.949 -0.759 . . . . 0.0 108.949 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 649' ' ' MET . . . . . . . . . . . . . 34.4 ttm -96.53 129.5 43.89 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.421 -0.799 . . . . 0.0 109.522 -179.709 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 650' ' ' ASN . . . . . . . . . . . . . 63.9 t-20 . . . . . 0 N--CA 1.49 1.549 0 CA-C-O 117.942 -1.027 . . . . 0.0 109.474 -179.991 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 301' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 . . . . . 0 N--CA 1.494 1.75 0 N-CA-C 107.051 -1.463 . . . . 0.0 107.051 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 302' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -73.89 -66.26 0.73 Allowed 'General case' 0 C--N 1.302 -1.488 0 CA-C-N 114.588 -1.187 . . . . 0.0 109.812 178.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 303' ' ' CYS . . . . . 0.407 ' O ' ' N ' ' A' ' 306' ' ' MET . 4.4 t -67.07 -49.71 64.18 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.182 -0.949 . . . . 0.0 108.874 179.685 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 35.5 t -50.09 -24.57 2.78 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.394 -0.816 . . . . 0.0 110.104 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 305' ' ' LYS . . . . . 0.429 ' HZ2' ' HB3' ' A' ' 305' ' ' LYS . 16.6 ttpp -101.22 -14.21 17.79 Favored 'General case' 0 N--CA 1.502 2.13 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 178.063 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 306' ' ' MET . . . . . 0.407 ' N ' ' O ' ' A' ' 303' ' ' CYS . 3.9 tpp -72.88 -25.07 60.95 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 107.262 -1.384 . . . . 0.0 107.262 177.238 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 307' ' ' ASN . . . . . 0.449 ' O ' ' C ' ' A' ' 308' ' ' GLN . 19.4 t-20 -87.34 -40.79 14.14 Favored 'General case' 0 N--CA 1.494 1.756 0 N-CA-C 106.436 -1.69 . . . . 0.0 106.436 178.539 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 308' ' ' GLN . . . . . 0.522 ' O ' ' N ' ' A' ' 310' ' ' CYS . 32.9 tt0 -34.92 -40.35 0.11 Allowed 'General case' 0 N--CA 1.504 2.229 0 CA-C-O 121.337 0.589 . . . . 0.0 109.656 178.539 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 309' ' ' VAL . . . . . 0.612 HG21 ' O ' ' B' ' 624' ' ' MET . 53.0 t -46.48 -14.92 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.857 0 CA-C-O 121.667 0.746 . . . . 0.0 109.444 179.217 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 310' ' ' CYS . . . . . 0.522 ' N ' ' O ' ' A' ' 308' ' ' GLN . 3.3 m -86.03 22.93 1.6 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.469 -0.769 . . . . 0.0 109.18 179.234 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 311' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.543 0 N-CA-C 109.404 -1.478 . . . . 0.0 109.404 179.624 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 593' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.314 0 N-CA-C 109.517 -1.433 . . . . 0.0 109.517 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 594' ' ' SER . . . . . . . . . . . . . 72.3 m -90.37 166.01 13.53 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.192 -1.181 . . . . 0.0 110.151 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 595' ' ' LEU . . . . . 0.534 HD22 ' N ' ' B' ' 595' ' ' LEU . 3.8 mm? -96.07 123.46 39.69 Favored 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 179.815 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 596' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -128.18 157.54 40.54 Favored 'General case' 0 N--CA 1.502 2.126 0 O-C-N 121.412 -0.805 . . . . 0.0 109.241 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 597' ' ' ARG . . . . . 0.435 ' H ' ' CB ' ' B' ' 600' ' ' GLU . 48.3 mtm180 -107.42 -147.84 0.41 Allowed 'General case' 0 N--CA 1.503 2.195 0 CA-C-O 121.985 0.897 . . . . 0.0 111.705 -178.046 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 598' ' ' CYS . . . . . 0.61 ' SG ' ' N ' ' B' ' 599' ' ' SER . 6.2 t -70.98 -100.33 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.858 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.011 -178.292 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 599' ' ' SER . . . . . 0.61 ' N ' ' SG ' ' B' ' 598' ' ' CYS . 95.4 p -45.34 -18.31 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.974 0 CA-C-O 122.337 1.065 . . . . 0.0 109.346 -179.335 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 600' ' ' GLU . . . . . 0.511 ' N ' ' O ' ' B' ' 598' ' ' CYS . 2.2 tm-20 -50.51 -40.44 51.44 Favored 'General case' 0 C--N 1.297 -1.711 0 CA-C-O 122.437 1.113 . . . . 0.0 108.684 179.418 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 601' ' ' ILE . . . . . 0.542 ' O ' ' N ' ' B' ' 604' ' ' ARG . 1.1 mp -68.53 -38.23 78.85 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.132 0 C-N-CA 119.949 -0.7 . . . . 0.0 109.184 -177.27 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 602' ' ' TRP . . . . . 0.419 ' C ' ' O ' ' B' ' 601' ' ' ILE . 0.0 OUTLIER -44.73 -38.63 4.56 Favored 'General case' 0 N--CA 1.496 1.829 0 N-CA-C 107.366 -1.346 . . . . 0.0 107.366 -179.77 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 603' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -66.57 -42.75 86.57 Favored 'General case' 0 N--CA 1.486 1.363 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 177.528 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 604' ' ' ARG . . . . . 0.542 ' N ' ' O ' ' B' ' 601' ' ' ILE . 20.8 mmm180 -57.53 -34.65 69.35 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.385 -0.822 . . . . 0.0 109.371 179.129 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 605' ' ' ILE . . . . . . . . . . . . . 82.1 mt -83.29 -46.75 18.55 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.87 0 O-C-N 121.581 -0.7 . . . . 0.0 111.128 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 606' ' ' THR . . . . . . . . . . . . . 57.7 p . . . . . 0 N--CA 1.491 1.578 0 O-C-N 120.476 -1.39 . . . . 0.0 110.393 -178.727 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 614' ' ' ILE . . . . . 0.446 HG22 ' H ' ' B' ' 615' ' ' ASP . 5.9 mm . . . . . 0 N--CA 1.491 1.613 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 615' ' ' ASP . . . . . 0.446 ' H ' HG22 ' B' ' 614' ' ' ILE . 22.0 t70 -170.26 94.48 0.23 Allowed 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 107.252 -1.388 . . . . 0.0 107.252 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 616' ' ' VAL . . . . . . . . . . . . . 14.4 t -80.8 -29.28 11.57 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.58 0 O-C-N 121.436 -0.79 . . . . 0.0 109.795 -179.205 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 617' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -65.78 -53.34 41.71 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.138 -0.976 . . . . 0.0 110.982 -178.592 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 618' ' ' GLY . . . . . . . . . . . . . . . -66.92 -40.08 93.44 Favored Glycine 0 N--CA 1.493 2.451 0 N-CA-C 109.546 -1.422 . . . . 0.0 109.546 -179.527 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 619' ' ' LEU . . . . . 0.645 HD23 ' C ' ' B' ' 619' ' ' LEU . 0.3 OUTLIER -63.13 -18.08 63.04 Favored 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 107.867 -1.16 . . . . 0.0 107.867 179.431 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 620' ' ' CYS . . . . . 0.468 ' O ' ' CG ' ' B' ' 624' ' ' MET . 10.8 t -74.13 -48.57 28.59 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.114 -0.991 . . . . 0.0 110.949 -179.511 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 21.3 t -82.75 -2.5 54.53 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 120.755 -1.215 . . . . 0.0 109.931 -179.418 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 622' ' ' GLU . . . . . 0.508 ' OE2' ' NE2' ' B' ' 648' ' ' HIS . 84.9 mt-10 -101.87 -42.4 6.16 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.234 -0.916 . . . . 0.0 109.806 178.539 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 623' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -86.36 -24.32 25.86 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 120.646 -1.284 . . . . 0.0 110.114 -179.456 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 624' ' ' MET . . . . . 0.612 ' O ' HG21 ' A' ' 309' ' ' VAL . 3.2 ppp? -76.1 -24.67 55.01 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.782 -1.199 . . . . 0.0 111.943 -177.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 625' ' ' ALA . . . . . . . . . . . . . . . -102.6 -26.41 13.22 Favored 'General case' 0 N--CA 1.505 2.294 0 O-C-N 120.61 -1.306 . . . . 0.0 108.972 179.535 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 626' ' ' LYS . . . . . . . . . . . . . 64.4 mttm -71.73 -9.22 57.96 Favored 'General case' 0 C--N 1.296 -1.724 0 N-CA-C 105.742 -1.947 . . . . 0.0 105.742 176.333 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 627' ' ' ALA . . . . . . . . . . . . . . . -44.56 134.3 5.39 Favored 'General case' 0 N--CA 1.49 1.552 0 CA-C-N 115.008 -0.996 . . . . 0.0 111.481 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 628' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? -98.8 87.89 3.88 Favored 'General case' 0 N--CA 1.493 1.684 0 N-CA-C 107.419 -1.326 . . . . 0.0 107.419 178.033 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 629' ' ' CYS . . . . . . . . . . . . . 49.5 t -57.21 130.35 45.79 Favored 'General case' 0 N--CA 1.491 1.603 0 CA-C-O 122.44 1.114 . . . . 0.0 111.698 -177.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 630' ' ' SER . . . . . . . . . . . . . 5.1 t -142.45 162.69 34.82 Favored 'General case' 0 N--CA 1.493 1.71 0 N-CA-C 107.453 -1.314 . . . . 0.0 107.453 178.715 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 631' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -66.41 -26.46 67.25 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.311 -1.493 . . . . 0.0 109.227 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 65.3 ttt180 -77.72 -16.23 58.59 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 108.226 -1.027 . . . . 0.0 108.226 178.85 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 633' ' ' GLY . . . . . . . . . . . . . . . 132.67 -176.32 19.52 Favored Glycine 0 N--CA 1.497 2.725 0 N-CA-C 108.564 -1.814 . . . . 0.0 108.564 -179.667 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 634' ' ' VAL . . . . . . . . . . . . . 33.0 m -78.52 161.62 4.25 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.391 0 O-C-N 120.774 -1.427 . . . . 0.0 109.816 179.718 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 2.6 t -143.04 133.97 23.14 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.005 0 N-CA-C 108.153 -1.055 . . . . 0.0 108.153 177.147 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 636' ' ' ILE . . . . . . . . . . . . . 17.4 mm -110.45 136.86 45.15 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.955 0 O-C-N 121.686 -0.634 . . . . 0.0 110.303 -178.355 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 637' ' ' ASN . . . . . 0.519 ' O ' ' N ' ' B' ' 639' ' ' GLU . 36.0 t-20 -89.04 133.67 34.27 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.956 -1.09 . . . . 0.0 108.208 178.294 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -46.21 -12.57 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.48 -0.762 . . . . 0.0 111.1 -178.425 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 639' ' ' GLU . . . . . 0.519 ' N ' ' O ' ' B' ' 637' ' ' ASN . 17.5 tp10 -82.14 -21.44 36.61 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.932 -1.105 . . . . 0.0 110.945 -179.093 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 640' ' ' ASP . . . . . 0.407 ' O ' ' N ' ' B' ' 644' ' ' ALA . 18.7 m-20 -86.83 -45.82 10.52 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 120.357 -1.464 . . . . 0.0 108.752 178.362 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 641' ' ' VAL . . . . . 0.639 HG13 ' N ' ' B' ' 642' ' ' GLN . 13.2 p -64.24 -51.93 62.28 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.588 0 O-C-N 120.763 -1.21 . . . . 0.0 108.268 178.249 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 642' ' ' GLN . . . . . 0.639 ' N ' HG13 ' B' ' 641' ' ' VAL . 1.6 tm0? -54.85 -33.77 62.14 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.114 -0.991 . . . . 0.0 109.017 179.708 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 643' ' ' LEU . . . . . . . . . . . . . 51.9 tp -84.37 -26.37 28.44 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.307 -0.87 . . . . 0.0 109.175 179.405 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 644' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' B' ' 640' ' ' ASP . . . -87.12 -30.09 21.35 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.817 -1.177 . . . . 0.0 109.381 179.012 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 645' ' ' LEU . . . . . 0.474 HD12 HG22 ' B' ' 641' ' ' VAL . 36.2 mt -87.19 -22.52 25.23 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 120.845 -1.16 . . . . 0.0 109.685 179.412 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 646' ' ' ASN . . . . . . . . . . . . . 18.6 t30 -91.45 -11.29 38.04 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 120.78 -1.2 . . . . 0.0 110.368 -179.523 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 647' ' ' LYS . . . . . . . . . . . . . 30.4 ttmt -93.41 -7.86 43.37 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 120.952 -1.092 . . . . 0.0 109.484 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 648' ' ' HIS . . . . . 0.508 ' NE2' ' OE2' ' B' ' 622' ' ' GLU . 7.3 m-70 -112.55 17.56 19.12 Favored 'General case' 0 N--CA 1.5 2.075 0 O-C-N 121.278 -0.889 . . . . 0.0 109.91 -179.819 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 649' ' ' MET . . . . . . . . . . . . . 17.7 mtt -97.09 99.96 11.46 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.097 -1.002 . . . . 0.0 109.218 179.645 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 650' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 . . . . . 0 N--CA 1.49 1.554 0 CA-C-O 118.025 -0.988 . . . . 0.0 109.444 -179.976 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 301' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 . . . . . 0 N--CA 1.492 1.633 0 N-CA-C 106.304 -1.739 . . . . 0.0 106.304 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 302' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -71.66 -59.12 2.92 Favored 'General case' 0 C--N 1.305 -1.361 0 CA-C-N 114.251 -1.341 . . . . 0.0 109.791 179.014 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 303' ' ' CYS . . . . . . . . . . . . . 1.8 t -75.93 -41.28 52.21 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.253 -0.905 . . . . 0.0 109.505 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 7.1 p -52.36 -29.44 23.86 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.43 -0.794 . . . . 0.0 110.441 -179.397 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -98.71 -13.95 20.0 Favored 'General case' 0 N--CA 1.502 2.163 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 178.363 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 306' ' ' MET . . . . . . . . . . . . . 40.7 ttm -74.83 -26.48 59.74 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 120.461 -1.4 . . . . 0.0 107.272 177.085 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 307' ' ' ASN . . . . . 0.437 ' O ' ' C ' ' A' ' 308' ' ' GLN . 19.4 t-20 -80.09 -41.91 24.63 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 105.932 -1.877 . . . . 0.0 105.932 178.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 308' ' ' GLN . . . . . 0.526 ' O ' ' N ' ' A' ' 310' ' ' CYS . 44.6 tt0 -36.29 -41.04 0.25 Allowed 'General case' 0 N--CA 1.502 2.153 0 CA-C-O 121.449 0.642 . . . . 0.0 109.431 178.338 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 309' ' ' VAL . . . . . 0.406 ' H ' HG23 ' A' ' 309' ' ' VAL . 20.0 t -46.24 -15.48 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.879 0 CA-C-O 121.686 0.755 . . . . 0.0 109.31 179.047 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 310' ' ' CYS . . . . . 0.526 ' N ' ' O ' ' A' ' 308' ' ' GLN . 33.7 m -87.61 -30.43 20.48 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.647 -0.658 . . . . 0.0 109.454 179.474 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 311' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 308' ' ' GLN . . . . . . . . 0 N--CA 1.491 2.305 0 N-CA-C 109.63 -1.388 . . . . 0.0 109.63 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 593' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.475 0 N-CA-C 109.35 -1.5 . . . . 0.0 109.35 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 594' ' ' SER . . . . . . . . . . . . . 64.8 m -80.4 164.96 22.69 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.116 -1.226 . . . . 0.0 110.176 -179.741 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 595' ' ' LEU . . . . . 0.566 ' N ' HD12 ' B' ' 595' ' ' LEU . 7.3 mp -89.79 118.45 29.4 Favored 'General case' 0 C--N 1.299 -1.62 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 179.718 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 596' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -125.86 148.81 49.06 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.41 -0.806 . . . . 0.0 109.411 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 597' ' ' ARG . . . . . 0.559 ' H ' ' NE ' ' B' ' 597' ' ' ARG . 0.1 OUTLIER -73.66 -173.74 1.56 Allowed 'General case' 0 N--CA 1.494 1.77 0 CA-C-O 122.025 0.917 . . . . 0.0 110.763 -179.235 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 598' ' ' CYS . . . . . . . . . . . . . 2.5 p -71.46 -88.45 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.756 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.746 -177.796 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 13.5 t -43.09 -26.73 0.17 Allowed 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.452 -0.78 . . . . 0.0 110.406 -178.188 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 600' ' ' GLU . . . . . 0.505 ' CD ' ' HE ' ' B' ' 597' ' ' ARG . 77.2 mt-10 -56.29 -23.05 34.14 Favored 'General case' 0 C--N 1.302 -1.483 0 C-N-CA 118.266 -1.374 . . . . 0.0 107.854 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 601' ' ' ILE . . . . . 0.585 ' O ' ' N ' ' B' ' 604' ' ' ARG . 1.3 mp -73.0 -36.03 50.09 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.139 0 N-CA-C 106.676 -1.601 . . . . 0.0 106.676 179.322 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 602' ' ' TRP . . . . . 0.408 ' C ' ' O ' ' B' ' 601' ' ' ILE . 48.0 t-105 -46.4 -35.04 5.13 Favored 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 106.944 -1.502 . . . . 0.0 106.944 178.884 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 603' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -69.59 -39.46 77.29 Favored 'General case' 0 C--N 1.304 -1.396 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 177.555 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 604' ' ' ARG . . . . . 0.585 ' N ' ' O ' ' B' ' 601' ' ' ILE . 21.5 mmm180 -57.98 -28.43 64.38 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.285 -0.884 . . . . 0.0 109.457 179.095 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 605' ' ' ILE . . . . . 0.484 ' N ' HD12 ' B' ' 605' ' ' ILE . 1.9 mp -86.18 -45.28 16.85 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.885 0 O-C-N 121.313 -0.867 . . . . 0.0 110.411 -179.224 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 606' ' ' THR . . . . . . . . . . . . . 40.4 p . . . . . 0 N--CA 1.491 1.607 0 O-C-N 120.89 -1.131 . . . . 0.0 110.188 -178.793 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 614' ' ' ILE . . . . . 0.501 ' O ' HG22 ' B' ' 614' ' ' ILE . 56.7 mt . . . . . 0 N--CA 1.495 1.811 0 CA-C-O 120.716 0.294 . . . . 0.0 111.117 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 615' ' ' ASP . . . . . . . . . . . . . 40.3 t0 54.3 88.46 0.04 OUTLIER 'General case' 0 N--CA 1.487 1.411 0 O-C-N 120.346 -1.471 . . . . 0.0 108.986 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 616' ' ' VAL . . . . . . . . . . . . . 28.4 m -72.38 -26.47 24.52 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 O-C-N 121.277 -0.889 . . . . 0.0 108.897 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 617' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -76.32 -40.08 52.36 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.433 -0.792 . . . . 0.0 110.109 -179.5 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 618' ' ' GLY . . . . . . . . . . . . . . . -70.7 -46.24 47.77 Favored Glycine 0 N--CA 1.488 2.156 0 C-N-CA 119.607 -1.282 . . . . 0.0 110.053 -179.681 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 619' ' ' LEU . . . . . 0.684 ' C ' HD12 ' B' ' 619' ' ' LEU . 1.8 pp -65.46 -19.67 66.03 Favored 'General case' 0 N--CA 1.486 1.329 0 O-C-N 120.826 -1.396 . . . . 0.0 108.561 -179.774 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 620' ' ' CYS . . . . . . . . . . . . . 48.7 t -71.81 -49.24 40.35 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.453 -0.779 . . . . 0.0 109.741 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 95.0 p -76.9 -2.15 32.08 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.854 -1.154 . . . . 0.0 108.705 179.408 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 622' ' ' GLU . . . . . . . . . . . . . 54.6 tt0 -100.6 -60.11 1.58 Allowed 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 176.775 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 623' ' ' LEU . . . . . . . . . . . . . 4.3 tp -61.4 -32.46 72.4 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.116 -0.99 . . . . 0.0 109.879 179.817 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 624' ' ' MET . . . . . . . . . . . . . 18.0 ttt -75.2 -28.22 59.9 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.289 -0.882 . . . . 0.0 112.408 -177.682 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 625' ' ' ALA . . . . . . . . . . . . . . . -102.64 -16.65 15.98 Favored 'General case' 0 N--CA 1.508 2.462 0 O-C-N 120.723 -1.235 . . . . 0.0 109.878 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 626' ' ' LYS . . . . . . . . . . . . . 5.8 mptp? -75.42 -4.28 38.57 Favored 'General case' 0 C--N 1.299 -1.59 0 N-CA-C 105.277 -2.12 . . . . 0.0 105.277 176.141 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 627' ' ' ALA . . . . . . . . . . . . . . . -42.56 135.28 2.85 Favored 'General case' 0 N--CA 1.492 1.64 0 CA-C-N 115.129 -0.942 . . . . 0.0 111.745 -179.478 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 628' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -107.2 91.77 3.8 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 107.549 -1.278 . . . . 0.0 107.549 178.264 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 629' ' ' CYS . . . . . . . . . . . . . 25.0 t -58.31 122.17 12.59 Favored 'General case' 0 N--CA 1.493 1.698 0 CA-C-O 122.53 1.157 . . . . 0.0 111.799 -177.791 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 630' ' ' SER . . . . . . . . . . . . . 46.9 t -142.91 160.94 39.39 Favored 'General case' 0 N--CA 1.495 1.784 0 N-CA-C 107.515 -1.291 . . . . 0.0 107.515 178.446 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 631' ' ' GLU . . . . . 0.517 ' C ' ' H ' ' B' ' 633' ' ' GLY . 10.4 mm-40 -64.98 -21.08 66.79 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.28 -1.513 . . . . 0.0 109.243 -179.737 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 21.3 mmm180 -79.58 33.44 0.25 Allowed 'General case' 0 N--CA 1.493 1.684 0 N-CA-C 107.181 -1.415 . . . . 0.0 107.181 177.651 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 633' ' ' GLY . . . . . 0.517 ' H ' ' C ' ' B' ' 631' ' ' GLU . . . 72.62 -168.1 53.2 Favored Glycine 0 N--CA 1.491 2.311 0 N-CA-C 107.294 -2.322 . . . . 0.0 107.294 -178.256 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 634' ' ' VAL . . . . . . . . . . . . . 7.9 p -78.59 148.82 5.93 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.407 0 O-C-N 120.239 -1.742 . . . . 0.0 109.523 179.564 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 33.3 m -139.66 138.26 39.28 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.922 0 O-C-N 121.107 -0.996 . . . . 0.0 108.524 178.334 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 636' ' ' ILE . . . . . . . . . . . . . 22.1 mm -114.57 137.15 48.9 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.902 0 O-C-N 121.669 -0.644 . . . . 0.0 109.515 -179.259 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 637' ' ' ASN . . . . . 0.509 ' O ' ' N ' ' B' ' 639' ' ' GLU . 9.4 m-80 -83.54 133.02 34.89 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.745 -1.222 . . . . 0.0 107.93 178.466 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -45.76 -14.92 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.512 -0.742 . . . . 0.0 110.846 -177.833 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 639' ' ' GLU . . . . . 0.509 ' N ' ' O ' ' B' ' 637' ' ' ASN . 66.4 mt-10 -84.14 -21.98 31.2 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.031 -1.043 . . . . 0.0 111.14 -178.855 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 640' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -84.12 -42.23 16.26 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 120.268 -1.52 . . . . 0.0 108.135 178.559 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 641' ' ' VAL . . . . . 0.607 HG13 ' N ' ' B' ' 642' ' ' GLN . 7.4 p -61.88 -51.43 72.7 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.544 0 N-CA-C 107.823 -1.177 . . . . 0.0 107.823 177.19 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 642' ' ' GLN . . . . . 0.607 ' N ' HG13 ' B' ' 641' ' ' VAL . 76.0 mt-30 -52.37 -33.98 45.62 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.082 -1.011 . . . . 0.0 109.647 179.718 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 643' ' ' LEU . . . . . . . . . . . . . 19.2 mt -81.13 -25.99 36.47 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.141 -0.974 . . . . 0.0 109.357 179.347 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 644' ' ' ALA . . . . . . . . . . . . . . . -87.47 -28.91 21.78 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.493 -1.379 . . . . 0.0 109.643 179.255 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 645' ' ' LEU . . . . . 0.475 ' O ' ' N ' ' B' ' 647' ' ' LYS . 41.9 mt -89.07 -69.31 0.72 Allowed 'General case' 0 N--CA 1.498 1.93 0 O-C-N 120.645 -1.284 . . . . 0.0 109.947 179.644 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 646' ' ' ASN . . . . . . . . . . . . . 65.9 m-20 -47.16 -15.54 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.287 -0.883 . . . . 0.0 110.392 -178.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 647' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' B' ' 645' ' ' LEU . 30.4 tttm -89.53 163.31 15.27 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.052 -1.03 . . . . 0.0 110.013 -179.486 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 648' ' ' HIS . . . . . . . . . . . . . 7.4 m80 65.69 27.81 11.23 Favored 'General case' 0 N--CA 1.493 1.692 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 -179.579 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 649' ' ' MET . . . . . . . . . . . . . 7.2 mmt -95.76 136.75 35.76 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.239 -0.913 . . . . 0.0 109.431 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 650' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 . . . . . 0 N--CA 1.49 1.566 0 CA-C-O 118.006 -0.997 . . . . 0.0 109.392 -179.922 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 301' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 . . . . . 0 N--CA 1.497 1.891 0 N-CA-C 106.59 -1.633 . . . . 0.0 106.59 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 302' ' ' PHE . . . . . . . . . . . . . 81.3 t80 -70.34 -64.53 0.88 Allowed 'General case' 0 C--N 1.298 -1.641 0 CA-C-N 113.658 -1.61 . . . . 0.0 109.192 178.427 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 303' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -68.48 -48.6 64.03 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.335 -0.853 . . . . 0.0 109.041 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 18.9 m -48.68 -22.47 0.79 Allowed 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.432 -0.792 . . . . 0.0 110.668 -179.567 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . 62.7 mmtt -101.74 -14.41 17.35 Favored 'General case' 0 N--CA 1.505 2.313 0 O-C-N 120.948 -1.095 . . . . 0.0 109.09 178.412 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 306' ' ' MET . . . . . . . . . . . . . 9.9 mmm -74.25 -24.28 59.27 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 120.438 -1.414 . . . . 0.0 107.343 177.071 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 307' ' ' ASN . . . . . 0.447 ' O ' ' C ' ' A' ' 308' ' ' GLN . 50.7 t-20 -86.37 -41.04 14.82 Favored 'General case' 0 N--CA 1.493 1.717 0 N-CA-C 106.184 -1.784 . . . . 0.0 106.184 178.31 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 308' ' ' GLN . . . . . 0.531 ' O ' ' N ' ' A' ' 310' ' ' CYS . 9.3 tp-100 -35.57 -39.6 0.14 Allowed 'General case' 0 N--CA 1.504 2.241 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.372 178.819 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 309' ' ' VAL . . . . . 0.425 ' H ' HG23 ' A' ' 309' ' ' VAL . 4.0 t -46.33 -15.18 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.91 0 C-N-CA 119.819 -0.752 . . . . 0.0 109.364 178.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 310' ' ' CYS . . . . . 0.531 ' N ' ' O ' ' A' ' 308' ' ' GLN . 6.7 m -88.18 -38.76 15.05 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.5 -0.75 . . . . 0.0 109.313 179.388 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 311' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.411 0 N-CA-C 109.578 -1.409 . . . . 0.0 109.578 179.956 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 593' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.442 0 N-CA-C 109.054 -1.618 . . . . 0.0 109.054 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 594' ' ' SER . . . . . . . . . . . . . 45.7 m -81.41 159.45 24.3 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.21 -1.171 . . . . 0.0 110.188 -179.452 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 595' ' ' LEU . . . . . 0.545 ' N ' HD12 ' B' ' 595' ' ' LEU . 8.7 mp -73.6 121.65 21.01 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 108.085 -1.08 . . . . 0.0 108.085 179.078 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 596' ' ' LEU . . . . . 0.514 ' O ' ' N ' ' B' ' 636' ' ' ILE . 9.7 mt -127.96 144.27 51.1 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.416 -0.803 . . . . 0.0 109.357 -178.611 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 597' ' ' ARG . . . . . . . . . . . . . 46.4 mtm180 -87.07 -146.17 0.13 Allowed 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.195 -0.94 . . . . 0.0 110.769 -179.036 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 598' ' ' CYS . . . . . 0.664 ' SG ' ' N ' ' B' ' 599' ' ' SER . 0.0 OUTLIER -90.88 -72.73 0.56 Allowed 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.355 -0.841 . . . . 0.0 109.929 -178.606 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 599' ' ' SER . . . . . 0.664 ' N ' ' SG ' ' B' ' 598' ' ' CYS . 39.7 t -52.9 -27.61 19.46 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.579 -1.326 . . . . 0.0 107.909 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 600' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -46.83 -39.76 12.54 Favored 'General case' 0 C--N 1.3 -1.549 0 CA-C-O 122.332 1.063 . . . . 0.0 108.75 179.232 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 601' ' ' ILE . . . . . 0.605 ' O ' ' N ' ' B' ' 604' ' ' ARG . 1.5 mp -70.19 -33.16 53.5 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.189 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 -178.302 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 602' ' ' TRP . . . . . 0.434 ' N ' ' O ' ' B' ' 599' ' ' SER . 58.9 t-105 -44.13 -38.83 3.89 Favored 'General case' 0 N--CA 1.494 1.77 0 N-CA-C 107.582 -1.266 . . . . 0.0 107.582 179.399 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 603' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -68.69 -41.44 79.19 Favored 'General case' 0 C--N 1.303 -1.413 0 N-CA-C 107.563 -1.273 . . . . 0.0 107.563 177.211 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 604' ' ' ARG . . . . . 0.605 ' N ' ' O ' ' B' ' 601' ' ' ILE . 3.8 mmp_? -58.62 -21.56 53.92 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.424 -0.798 . . . . 0.0 109.532 178.824 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 605' ' ' ILE . . . . . . . . . . . . . 20.9 mm -88.35 -49.21 14.51 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.129 0 O-C-N 121.287 -0.883 . . . . 0.0 110.738 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 606' ' ' THR . . . . . . . . . . . . . 63.8 p . . . . . 0 N--CA 1.494 1.775 0 O-C-N 121.199 -0.938 . . . . 0.0 110.89 -178.375 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 614' ' ' ILE . . . . . 0.552 ' O ' HG22 ' B' ' 614' ' ' ILE . 38.5 mt . . . . . 0 N--CA 1.498 1.941 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 615' ' ' ASP . . . . . . . . . . . . . 12.4 t70 59.1 86.56 0.09 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 120.583 -1.323 . . . . 0.0 108.202 -179.699 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 616' ' ' VAL . . . . . . . . . . . . . 4.3 p -81.03 -22.34 10.87 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 O-C-N 121.547 -0.721 . . . . 0.0 109.694 -179.567 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 617' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -70.6 -43.71 68.79 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.283 -0.886 . . . . 0.0 110.328 -179.624 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 618' ' ' GLY . . . . . . . . . . . . . . . -70.03 -52.36 19.16 Favored Glycine 0 N--CA 1.491 2.353 0 N-CA-C 109.862 -1.295 . . . . 0.0 109.862 -179.59 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 619' ' ' LEU . . . . . 0.715 ' C ' HD12 ' B' ' 619' ' ' LEU . 0.7 OUTLIER -56.56 -19.26 14.95 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.185 -1.185 . . . . 0.0 108.899 -179.923 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 620' ' ' CYS . . . . . . . . . . . . . 41.8 t -74.08 -45.24 50.5 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.072 -1.018 . . . . 0.0 110.228 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 16.9 m -79.56 -0.17 32.36 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 120.822 -1.174 . . . . 0.0 109.24 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 622' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 -90.19 -43.84 10.15 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.43 -0.794 . . . . 0.0 109.779 177.838 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 623' ' ' LEU . . . . . . . . . . . . . 9.4 mp -85.99 -21.97 27.55 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 120.914 -1.116 . . . . 0.0 110.097 -179.281 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 624' ' ' MET . . . . . . . . . . . . . 15.0 ttt -61.04 -34.88 75.57 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.068 -1.02 . . . . 0.0 111.478 -178.598 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 625' ' ' ALA . . . . . 0.475 ' C ' ' N ' ' B' ' 627' ' ' ALA . . . -105.29 -33.61 8.15 Favored 'General case' 0 N--CA 1.505 2.318 0 O-C-N 120.888 -1.132 . . . . 0.0 110.081 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 626' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -61.24 -11.28 8.86 Favored 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 106.059 -1.83 . . . . 0.0 106.059 177.134 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 627' ' ' ALA . . . . . 0.475 ' N ' ' C ' ' B' ' 625' ' ' ALA . . . -47.35 134.15 11.83 Favored 'General case' 0 N--CA 1.493 1.68 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.459 -179.8 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 628' ' ' LYS . . . . . . . . . . . . . 56.0 mttm -105.41 91.33 3.73 Favored 'General case' 0 N--CA 1.494 1.769 0 N-CA-C 107.224 -1.398 . . . . 0.0 107.224 177.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 629' ' ' CYS . . . . . . . . . . . . . 46.9 t -59.85 137.87 57.95 Favored 'General case' 0 N--CA 1.491 1.607 0 CA-C-O 122.418 1.104 . . . . 0.0 112.345 -177.454 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 630' ' ' SER . . . . . . . . . . . . . 2.0 t -141.68 163.54 32.63 Favored 'General case' 0 N--CA 1.494 1.732 0 N-CA-C 107.197 -1.409 . . . . 0.0 107.197 178.258 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 631' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -70.02 -34.87 73.84 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.329 -1.482 . . . . 0.0 110.486 -178.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 73.8 mtm180 -70.79 -16.93 62.78 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.759 -1.213 . . . . 0.0 108.77 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 633' ' ' GLY . . . . . . . . . . . . . . . 141.91 -179.2 20.09 Favored Glycine 0 N--CA 1.495 2.595 0 N-CA-C 108.629 -1.788 . . . . 0.0 108.629 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 634' ' ' VAL . . . . . 0.493 HG22 ' N ' ' B' ' 635' ' ' VAL . 7.5 p -78.62 160.92 4.41 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.366 0 O-C-N 120.651 -1.5 . . . . 0.0 110.102 -179.826 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 635' ' ' VAL . . . . . 0.493 ' N ' HG22 ' B' ' 634' ' ' VAL . 26.9 m -151.09 143.11 16.67 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 N-CA-C 108.161 -1.051 . . . . 0.0 108.161 178.059 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 636' ' ' ILE . . . . . 0.514 ' N ' ' O ' ' B' ' 596' ' ' LEU . 95.3 mt -133.68 145.17 33.94 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.985 0 O-C-N 121.419 -0.801 . . . . 0.0 110.036 -178.717 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 637' ' ' ASN . . . . . 0.518 ' O ' ' N ' ' B' ' 639' ' ' GLU . 6.6 m-20 -86.43 132.89 33.83 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.28 -0.887 . . . . 0.0 109.67 179.67 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -46.41 -11.81 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.806 -0.559 . . . . 0.0 110.642 -179.616 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 639' ' ' GLU . . . . . 0.518 ' N ' ' O ' ' B' ' 637' ' ' ASN . 52.0 mm-40 -80.71 -20.36 43.01 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.681 -1.262 . . . . 0.0 109.632 179.706 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 640' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -88.19 -25.64 22.81 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 120.611 -1.306 . . . . 0.0 108.372 177.626 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 641' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -87.91 -33.73 6.8 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.778 0 O-C-N 121.269 -0.894 . . . . 0.0 108.877 179.01 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 642' ' ' GLN . . . . . . . . . . . . . 44.3 mm-40 -69.98 -33.0 71.5 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.234 -0.916 . . . . 0.0 108.623 179.147 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 643' ' ' LEU . . . . . . . . . . . . . 58.5 mt -85.93 -18.68 32.02 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.264 -0.897 . . . . 0.0 108.953 178.541 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 644' ' ' ALA . . . . . . . . . . . . . . . -87.14 -32.29 19.95 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.771 -1.205 . . . . 0.0 108.669 178.039 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 645' ' ' LEU . . . . . . . . . . . . . 14.1 mt -86.37 -25.65 25.24 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.284 -0.885 . . . . 0.0 109.526 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 646' ' ' ASN . . . . . . . . . . . . . 57.0 t-20 -90.05 -11.79 40.39 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.006 -1.059 . . . . 0.0 109.389 179.761 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 647' ' ' LYS . . . . . . . . . . . . . 42.3 tttm -86.89 -10.43 53.35 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.262 -0.899 . . . . 0.0 109.694 -179.681 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 648' ' ' HIS . . . . . . . . . . . . . 67.0 m-70 -111.2 22.18 15.49 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.352 -0.843 . . . . 0.0 109.535 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 649' ' ' MET . . . . . . . . . . . . . 15.1 mmt -96.46 103.39 15.3 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.193 -0.942 . . . . 0.0 109.428 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 650' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 . . . . . 0 N--CA 1.49 1.547 0 CA-C-O 117.989 -1.005 . . . . 0.0 109.524 179.992 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 301' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 . . . . . 0 N--CA 1.49 1.539 0 CA-C-O 121.245 0.545 . . . . 0.0 109.796 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 302' ' ' PHE . . . . . 0.474 ' CE1' ' SD ' ' A' ' 306' ' ' MET . 50.2 t80 -64.34 -53.6 46.25 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.342 -0.849 . . . . 0.0 109.699 -179.499 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 303' ' ' CYS . . . . . . . . . . . . . 20.9 m -84.35 -42.06 16.14 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.264 -0.897 . . . . 0.0 110.501 -179.303 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 22.2 p -61.14 -26.02 67.39 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.196 -0.94 . . . . 0.0 111.197 -178.549 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . 12.3 ttmm -93.17 -28.26 16.4 Favored 'General case' 0 N--CA 1.502 2.163 0 O-C-N 120.758 -1.214 . . . . 0.0 108.231 178.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 306' ' ' MET . . . . . 0.474 ' SD ' ' CE1' ' A' ' 302' ' ' PHE . 40.6 mtp -64.83 -18.68 65.34 Favored 'General case' 0 C--N 1.298 -1.632 0 N-CA-C 107.022 -1.473 . . . . 0.0 107.022 177.322 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 307' ' ' ASN . . . . . 0.456 ' O ' ' C ' ' A' ' 308' ' ' GLN . 80.7 m-20 -83.15 -36.82 24.44 Favored 'General case' 0 N--CA 1.487 1.383 0 N-CA-C 105.837 -1.912 . . . . 0.0 105.837 178.503 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 308' ' ' GLN . . . . . 0.547 ' O ' ' N ' ' A' ' 310' ' ' CYS . 23.8 tp60 -35.8 -38.01 0.11 Allowed 'General case' 0 N--CA 1.508 2.439 0 CA-C-O 121.763 0.792 . . . . 0.0 109.043 178.362 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 309' ' ' VAL . . . . . 0.408 HG23 ' H ' ' A' ' 309' ' ' VAL . 20.4 t -47.09 -12.0 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.87 0 C-N-CA 120.019 -0.672 . . . . 0.0 109.678 179.227 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 310' ' ' CYS . . . . . 0.547 ' N ' ' O ' ' A' ' 308' ' ' GLN . 0.5 OUTLIER -88.66 -74.88 0.45 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.171 -0.956 . . . . 0.0 108.627 178.901 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 311' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.476 0 N-CA-C 109.621 -1.392 . . . . 0.0 109.621 179.938 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 593' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.302 0 N-CA-C 109.622 -1.391 . . . . 0.0 109.622 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 594' ' ' SER . . . . . . . . . . . . . 66.3 m -89.14 166.3 13.93 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.094 -1.239 . . . . 0.0 110.305 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 595' ' ' LEU . . . . . . . . . . . . . 37.2 mt -94.76 121.37 36.27 Favored 'General case' 0 C--N 1.298 -1.655 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 596' ' ' LEU . . . . . 0.403 ' CD2' HH21 ' B' ' 604' ' ' ARG . 0.5 OUTLIER -127.4 150.37 49.65 Favored 'General case' 0 N--CA 1.5 2.033 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 597' ' ' ARG . . . . . . . . . . . . . 52.5 mtm180 -87.64 -150.93 0.18 Allowed 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.265 -0.897 . . . . 0.0 110.217 -179.303 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 598' ' ' CYS . . . . . 0.415 ' O ' ' N ' ' B' ' 600' ' ' GLU . 2.1 p -82.92 -90.29 0.08 Allowed 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.358 -0.839 . . . . 0.0 110.643 -178.866 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 599' ' ' SER . . . . . 0.404 ' O ' ' N ' ' B' ' 602' ' ' TRP . 15.3 t -45.14 -23.97 0.21 Allowed 'General case' 0 N--CA 1.495 1.779 0 CA-C-O 121.9 0.857 . . . . 0.0 109.602 -179.255 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 600' ' ' GLU . . . . . 0.415 ' N ' ' O ' ' B' ' 598' ' ' CYS . 18.4 tp10 -48.01 -39.91 21.08 Favored 'General case' 0 C--N 1.304 -1.396 0 CA-C-O 122.616 1.198 . . . . 0.0 108.522 179.459 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 601' ' ' ILE . . . . . 0.546 ' O ' ' N ' ' B' ' 604' ' ' ARG . 1.1 mp -68.26 -34.55 66.85 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.195 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 -178.587 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 602' ' ' TRP . . . . . 0.415 ' C ' ' O ' ' B' ' 601' ' ' ILE . 61.8 t-105 -45.44 -37.89 5.58 Favored 'General case' 0 N--CA 1.495 1.78 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 179.72 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 603' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -66.89 -42.85 84.82 Favored 'General case' 0 C--N 1.303 -1.417 0 N-CA-C 107.625 -1.25 . . . . 0.0 107.625 177.531 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 604' ' ' ARG . . . . . 0.546 ' N ' ' O ' ' B' ' 601' ' ' ILE . 22.3 ttm-85 -57.29 -39.42 75.69 Favored 'General case' 0 N--CA 1.497 1.91 0 CA-C-O 121.881 0.848 . . . . 0.0 109.233 178.82 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 605' ' ' ILE . . . . . . . . . . . . . 76.1 mt -75.37 -49.72 26.54 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.977 0 O-C-N 121.826 -0.546 . . . . 0.0 111.092 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 606' ' ' THR . . . . . . . . . . . . . 43.1 p . . . . . 0 N--CA 1.491 1.624 0 O-C-N 120.844 -1.16 . . . . 0.0 110.324 -178.746 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 614' ' ' ILE . . . . . 0.652 HG22 ' N ' ' B' ' 615' ' ' ASP . 79.2 mt . . . . . 0 N--CA 1.495 1.786 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 615' ' ' ASP . . . . . 0.703 ' O ' HD21 ' B' ' 619' ' ' LEU . 26.5 t70 -121.11 112.87 19.24 Favored 'General case' 0 N--CA 1.494 1.741 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 179.341 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 616' ' ' VAL . . . . . . . . . . . . . 60.3 t -79.36 -16.63 13.21 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.515 0 O-C-N 121.276 -0.89 . . . . 0.0 109.24 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 617' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -74.81 -41.34 60.14 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.285 -0.884 . . . . 0.0 110.82 -179.026 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 618' ' ' GLY . . . . . 0.436 ' O ' ' OE2' ' B' ' 622' ' ' GLU . . . -62.97 -40.52 99.4 Favored Glycine 0 N--CA 1.49 2.267 0 C-N-CA 119.622 -1.275 . . . . 0.0 110.208 -179.296 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 619' ' ' LEU . . . . . 0.703 HD21 ' O ' ' B' ' 615' ' ' ASP . 0.0 OUTLIER -66.8 -24.43 66.18 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 107.123 -1.436 . . . . 0.0 107.123 179.217 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 620' ' ' CYS . . . . . . . . . . . . . 5.6 t -62.57 -54.0 46.3 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.293 -0.879 . . . . 0.0 109.857 179.732 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 47.0 p -85.13 -10.69 56.48 Favored 'General case' 0 N--CA 1.501 2.119 0 O-C-N 120.745 -1.222 . . . . 0.0 111.416 -179.033 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 622' ' ' GLU . . . . . 0.436 ' OE2' ' O ' ' B' ' 618' ' ' GLY . 0.9 OUTLIER -101.79 -34.17 9.53 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 120.814 -1.179 . . . . 0.0 109.253 178.221 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 623' ' ' LEU . . . . . 0.429 ' CB ' ' O ' ' B' ' 619' ' ' LEU . 1.1 tt -89.42 -22.28 22.61 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.75 -1.219 . . . . 0.0 109.723 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 624' ' ' MET . . . . . . . . . . . . . 5.4 ttt -83.83 -21.34 32.09 Favored 'General case' 0 N--CA 1.503 2.198 0 O-C-N 120.89 -1.131 . . . . 0.0 112.509 -178.451 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 625' ' ' ALA . . . . . . . . . . . . . . . -103.48 -9.02 19.67 Favored 'General case' 0 N--CA 1.509 2.505 0 O-C-N 120.718 -1.239 . . . . 0.0 110.03 -179.469 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 626' ' ' LYS . . . . . . . . . . . . . 63.9 mttm -86.71 -6.26 58.89 Favored 'General case' 0 N--CA 1.491 1.606 0 N-CA-C 106.159 -1.793 . . . . 0.0 106.159 176.516 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 627' ' ' ALA . . . . . . . . . . . . . . . -42.06 138.18 1.66 Allowed 'General case' 0 N--CA 1.492 1.674 0 CA-C-N 115.054 -0.975 . . . . 0.0 111.58 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 628' ' ' LYS . . . . . . . . . . . . . 17.9 tptm -111.29 91.9 3.83 Favored 'General case' 0 N--CA 1.496 1.865 0 N-CA-C 107.736 -1.209 . . . . 0.0 107.736 178.236 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 629' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -54.94 117.76 3.7 Favored 'General case' 0 N--CA 1.494 1.732 0 CA-C-O 122.346 1.07 . . . . 0.0 111.236 -178.034 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 630' ' ' SER . . . . . . . . . . . . . 31.1 t -142.96 160.45 40.32 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 107.633 -1.247 . . . . 0.0 107.633 178.323 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 631' ' ' GLU . . . . . 0.482 ' C ' ' H ' ' B' ' 633' ' ' GLY . 42.1 tt0 -63.97 -23.29 67.28 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.3 -1.5 . . . . 0.0 109.031 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 632' ' ' ARG . . . . . 0.581 HH11 ' CG ' ' B' ' 632' ' ' ARG . 3.7 mtt-85 -79.73 34.85 0.28 Allowed 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 107.579 -1.267 . . . . 0.0 107.579 177.872 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 633' ' ' GLY . . . . . 0.482 ' H ' ' C ' ' B' ' 631' ' ' GLU . . . 70.06 -170.49 44.18 Favored Glycine 0 N--CA 1.49 2.253 0 N-CA-C 107.684 -2.166 . . . . 0.0 107.684 -178.331 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 634' ' ' VAL . . . . . . . . . . . . . 78.9 t -78.21 141.88 14.88 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.408 0 O-C-N 120.493 -1.592 . . . . 0.0 109.199 179.37 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 31.4 m -131.21 136.33 57.94 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.233 0 O-C-N 121.146 -0.971 . . . . 0.0 109.255 178.608 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 636' ' ' ILE . . . . . . . . . . . . . 22.1 mm -113.29 144.3 21.22 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.928 0 O-C-N 121.78 -0.575 . . . . 0.0 109.546 -179.237 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 637' ' ' ASN . . . . . 0.5 ' O ' ' N ' ' B' ' 639' ' ' GLU . 9.6 p-10 -88.57 130.1 35.33 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.915 -1.116 . . . . 0.0 108.234 178.513 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -46.76 -13.73 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.56 -0.713 . . . . 0.0 110.775 -178.401 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 639' ' ' GLU . . . . . 0.5 ' N ' ' O ' ' B' ' 637' ' ' ASN . 15.5 tp10 -82.66 -25.13 33.37 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.134 -0.979 . . . . 0.0 110.977 -178.78 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 640' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -84.21 -51.71 6.82 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 120.167 -1.583 . . . . 0.0 108.112 178.475 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 641' ' ' VAL . . . . . 0.613 HG13 ' N ' ' B' ' 642' ' ' GLN . 13.0 p -53.66 -50.02 53.23 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.509 0 O-C-N 120.663 -1.273 . . . . 0.0 107.966 177.464 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 642' ' ' GLN . . . . . 0.613 ' N ' HG13 ' B' ' 641' ' ' VAL . 1.3 tm0? -54.36 -31.64 55.06 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.97 -1.081 . . . . 0.0 109.298 179.647 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 643' ' ' LEU . . . . . 0.456 ' O ' ' CG ' ' B' ' 647' ' ' LYS . 18.4 mt -81.91 -26.99 33.63 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.094 -1.004 . . . . 0.0 109.271 179.241 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 644' ' ' ALA . . . . . . . . . . . . . . . -86.59 -36.37 18.91 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.862 -1.149 . . . . 0.0 109.51 179.201 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 645' ' ' LEU . . . . . 0.54 ' O ' ' N ' ' B' ' 647' ' ' LYS . 43.7 mt -74.28 -68.9 0.48 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.688 -1.257 . . . . 0.0 108.432 178.865 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 646' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -48.19 -9.46 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.178 -0.951 . . . . 0.0 110.236 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 647' ' ' LYS . . . . . 0.549 ' C ' ' H ' ' B' ' 649' ' ' MET . 0.0 OUTLIER -76.78 -81.3 0.09 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.981 -1.074 . . . . 0.0 109.345 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 648' ' ' HIS . . . . . 0.564 ' NE2' ' CD2' ' B' ' 619' ' ' LEU . 1.6 p80 -60.71 25.03 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.105 -0.997 . . . . 0.0 111.8 -178.241 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 649' ' ' MET . . . . . 0.549 ' H ' ' C ' ' B' ' 647' ' ' LYS . 6.8 mmt -93.92 100.5 12.65 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.561 -1.337 . . . . 0.0 109.196 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 650' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 . . . . . 0 N--CA 1.49 1.547 0 CA-C-O 117.955 -1.022 . . . . 0.0 109.504 -179.988 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 301' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 . . . . . 0 N--CA 1.492 1.653 0 N-CA-C 106.161 -1.792 . . . . 0.0 106.161 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 302' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -78.42 -65.22 1.01 Allowed 'General case' 0 C--N 1.306 -1.31 0 CA-C-N 114.551 -1.204 . . . . 0.0 109.571 178.254 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 303' ' ' CYS . . . . . . . . . . . . . 4.0 m -58.25 -43.26 87.75 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.043 -1.036 . . . . 0.0 109.075 179.725 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 49.5 m -53.73 -34.06 57.7 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.542 -0.724 . . . . 0.0 110.782 -179.355 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 305' ' ' LYS . . . . . 0.432 ' CB ' ' NZ ' ' A' ' 305' ' ' LYS . 2.3 ttmp? -99.45 -15.21 18.79 Favored 'General case' 0 N--CA 1.504 2.266 0 O-C-N 120.978 -1.077 . . . . 0.0 108.409 178.242 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 306' ' ' MET . . . . . 0.514 ' O ' HG22 ' A' ' 309' ' ' VAL . 4.7 ttt -75.09 -20.83 59.31 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 106.751 -1.574 . . . . 0.0 106.751 176.769 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 307' ' ' ASN . . . . . 0.455 ' O ' ' C ' ' A' ' 308' ' ' GLN . 31.7 m-20 -83.2 -41.67 18.17 Favored 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 105.751 -1.944 . . . . 0.0 105.751 178.129 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 308' ' ' GLN . . . . . 0.525 ' O ' ' N ' ' A' ' 310' ' ' CYS . 42.2 tt0 -36.36 -38.86 0.16 Allowed 'General case' 0 N--CA 1.506 2.36 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 178.512 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 309' ' ' VAL . . . . . 0.514 HG22 ' O ' ' A' ' 306' ' ' MET . 5.6 m -44.8 -17.55 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.501 2.083 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 178.446 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 310' ' ' CYS . . . . . 0.525 ' N ' ' O ' ' A' ' 308' ' ' GLN . 4.9 m -85.92 30.12 0.68 Allowed 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.498 -0.751 . . . . 0.0 108.974 179.174 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 311' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.536 0 N-CA-C 109.393 -1.483 . . . . 0.0 109.393 179.763 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 593' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.541 0 N-CA-C 108.7 -1.76 . . . . 0.0 108.7 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 594' ' ' SER . . . . . . . . . . . . . 57.9 m -123.98 162.54 23.21 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.452 -1.028 . . . . 0.0 109.802 179.488 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 595' ' ' LEU . . . . . . . . . . . . . 23.9 mt -82.71 118.46 23.37 Favored 'General case' 0 C--N 1.298 -1.634 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 179.16 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 596' ' ' LEU . . . . . 0.488 ' O ' ' N ' ' B' ' 636' ' ' ILE . 2.6 mt -127.22 147.87 50.21 Favored 'General case' 0 N--CA 1.504 2.234 0 O-C-N 121.377 -0.827 . . . . 0.0 108.802 -179.36 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 597' ' ' ARG . . . . . 0.471 ' H ' ' HG3' ' B' ' 600' ' ' GLU . 50.7 ttt180 -111.0 -126.17 0.27 Allowed 'General case' 0 N--CA 1.504 2.228 0 O-C-N 121.709 -0.619 . . . . 0.0 111.741 -177.364 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 598' ' ' CYS . . . . . 0.588 ' SG ' ' N ' ' B' ' 599' ' ' SER . 8.6 t -88.21 -97.77 0.09 Allowed 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.379 -0.826 . . . . 0.0 111.19 -178.187 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 599' ' ' SER . . . . . 0.588 ' N ' ' SG ' ' B' ' 598' ' ' CYS . 14.3 t -43.96 -25.88 0.24 Allowed 'General case' 0 N--CA 1.497 1.918 0 CA-C-O 122.197 0.999 . . . . 0.0 109.346 -178.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 600' ' ' GLU . . . . . 0.471 ' HG3' ' H ' ' B' ' 597' ' ' ARG . 20.0 mm-40 -46.61 -40.34 12.78 Favored 'General case' 0 C--N 1.3 -1.566 0 CA-C-O 122.31 1.052 . . . . 0.0 109.085 178.886 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 601' ' ' ILE . . . . . 0.533 ' O ' ' N ' ' B' ' 604' ' ' ARG . 1.3 mp -71.35 -33.09 49.0 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 -178.581 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 602' ' ' TRP . . . . . 0.413 ' C ' ' O ' ' B' ' 601' ' ' ILE . 64.7 t-105 -45.24 -37.65 4.82 Favored 'General case' 0 N--CA 1.494 1.751 0 N-CA-C 107.599 -1.26 . . . . 0.0 107.599 179.707 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 603' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -69.4 -42.98 74.39 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 177.536 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 604' ' ' ARG . . . . . 0.533 ' N ' ' O ' ' B' ' 601' ' ' ILE . 9.6 mmt-85 -56.96 -30.63 64.23 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.312 -0.868 . . . . 0.0 109.396 179.085 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 605' ' ' ILE . . . . . . . . . . . . . 85.3 mt -83.32 -46.91 18.5 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.0 0 O-C-N 121.423 -0.798 . . . . 0.0 110.902 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 606' ' ' THR . . . . . . . . . . . . . 21.4 p . . . . . 0 N--CA 1.493 1.684 0 O-C-N 120.878 -1.139 . . . . 0.0 110.274 -179.013 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 614' ' ' ILE . . . . . 0.541 ' CG2' ' N ' ' B' ' 615' ' ' ASP . 4.0 mt . . . . . 0 N--CA 1.494 1.773 0 N-CA-C 107.709 -1.219 . . . . 0.0 107.709 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 615' ' ' ASP . . . . . 0.541 ' N ' ' CG2' ' B' ' 614' ' ' ILE . 1.1 m-20 -107.49 109.19 20.82 Favored 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 107.621 -1.251 . . . . 0.0 107.621 178.748 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 616' ' ' VAL . . . . . 0.436 HG22 ' H ' ' B' ' 616' ' ' VAL . 8.4 m -74.55 -21.12 17.16 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.63 0 O-C-N 121.247 -0.908 . . . . 0.0 108.733 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 617' ' ' ASP . . . . . . . . . . . . . 57.7 m-20 -78.27 -43.6 27.69 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.435 -0.791 . . . . 0.0 110.327 -179.293 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 618' ' ' GLY . . . . . . . . . . . . . . . -69.47 -55.5 9.96 Favored Glycine 0 N--CA 1.488 2.16 0 N-CA-C 109.298 -1.521 . . . . 0.0 109.298 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 619' ' ' LEU . . . . . 0.69 ' C ' HD12 ' B' ' 619' ' ' LEU . 1.0 OUTLIER -57.2 -19.79 23.01 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.349 -1.089 . . . . 0.0 109.201 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 620' ' ' CYS . . . . . . . . . . . . . 7.0 t -75.09 -43.27 53.97 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.812 -1.18 . . . . 0.0 109.875 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 11.1 m -79.39 -0.33 32.38 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 120.879 -1.138 . . . . 0.0 109.126 179.736 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 622' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 -92.2 -44.11 8.95 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.356 -0.84 . . . . 0.0 109.525 177.871 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 623' ' ' LEU . . . . . . . . . . . . . 8.1 mp -85.74 -24.09 27.06 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 120.907 -1.121 . . . . 0.0 110.132 -179.342 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 624' ' ' MET . . . . . 0.44 ' O ' ' SD ' ' B' ' 624' ' ' MET . 0.3 OUTLIER -62.34 -34.07 75.94 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 120.994 -1.066 . . . . 0.0 111.543 -178.282 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 625' ' ' ALA . . . . . 0.435 ' C ' ' N ' ' B' ' 627' ' ' ALA . . . -105.29 -33.31 8.25 Favored 'General case' 0 N--CA 1.505 2.314 0 O-C-N 120.785 -1.197 . . . . 0.0 109.608 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 626' ' ' LYS . . . . . . . . . . . . . 64.9 mttm -61.72 -13.18 20.81 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 106.473 -1.677 . . . . 0.0 106.473 177.328 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 627' ' ' ALA . . . . . 0.435 ' N ' ' C ' ' B' ' 625' ' ' ALA . . . -47.08 137.61 7.53 Favored 'General case' 0 N--CA 1.492 1.663 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.547 -179.723 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 628' ' ' LYS . . . . . . . . . . . . . 59.8 tttm -107.63 91.98 3.88 Favored 'General case' 0 N--CA 1.496 1.86 0 N-CA-C 107.399 -1.334 . . . . 0.0 107.399 178.098 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 629' ' ' CYS . . . . . . . . . . . . . 44.1 t -58.8 137.01 57.93 Favored 'General case' 0 N--CA 1.492 1.652 0 CA-C-O 122.385 1.088 . . . . 0.0 112.402 -177.62 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 630' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -141.52 162.36 35.66 Favored 'General case' 0 N--CA 1.495 1.784 0 N-CA-C 107.29 -1.374 . . . . 0.0 107.29 178.294 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 631' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -69.79 -36.28 75.58 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.296 -1.502 . . . . 0.0 110.386 -178.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 632' ' ' ARG . . . . . 0.544 HH11 ' CG ' ' B' ' 632' ' ' ARG . 0.1 OUTLIER -71.28 -17.3 62.48 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.828 -1.17 . . . . 0.0 108.721 179.794 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 633' ' ' GLY . . . . . . . . . . . . . . . 143.41 179.18 19.83 Favored Glycine 0 N--CA 1.495 2.575 0 N-CA-C 108.915 -1.674 . . . . 0.0 108.915 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 634' ' ' VAL . . . . . 0.495 HG12 ' N ' ' B' ' 635' ' ' VAL . 75.9 t -78.91 162.44 3.95 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.383 0 O-C-N 120.771 -1.429 . . . . 0.0 109.896 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 635' ' ' VAL . . . . . 0.495 ' N ' HG12 ' B' ' 634' ' ' VAL . 22.7 m -152.24 140.7 14.35 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.172 -0.955 . . . . 0.0 108.645 178.153 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 636' ' ' ILE . . . . . 0.488 ' N ' ' O ' ' B' ' 596' ' ' LEU . 68.6 mt -131.43 141.17 46.54 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.973 0 O-C-N 121.482 -0.761 . . . . 0.0 109.355 -179.615 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 637' ' ' ASN . . . . . 0.53 ' O ' ' N ' ' B' ' 639' ' ' GLU . 40.5 m-80 -81.7 133.21 35.33 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.175 -0.953 . . . . 0.0 109.307 179.707 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -46.19 -11.66 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.899 -0.501 . . . . 0.0 110.595 -179.632 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 639' ' ' GLU . . . . . 0.53 ' N ' ' O ' ' B' ' 637' ' ' ASN . 68.6 mt-10 -82.45 -21.77 35.51 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.879 -1.138 . . . . 0.0 110.705 -179.489 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 640' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -81.26 -56.94 3.73 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 120.16 -1.588 . . . . 0.0 107.683 177.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 641' ' ' VAL . . . . . 0.625 HG13 ' N ' ' B' ' 642' ' ' GLN . 7.6 p -51.17 -53.37 15.11 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.533 0 O-C-N 121.103 -0.998 . . . . 0.0 108.519 177.47 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 642' ' ' GLN . . . . . 0.625 ' N ' HG13 ' B' ' 641' ' ' VAL . 43.0 tp60 -47.84 -34.97 9.5 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.907 -1.121 . . . . 0.0 109.224 179.74 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 643' ' ' LEU . . . . . . . . . . . . . 47.3 mt -82.46 -19.7 38.37 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.089 -1.007 . . . . 0.0 108.969 178.354 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 644' ' ' ALA . . . . . 0.487 ' N ' ' O ' ' B' ' 641' ' ' VAL . . . -87.12 -33.06 19.57 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 120.814 -1.179 . . . . 0.0 109.241 178.488 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 645' ' ' LEU . . . . . . . . . . . . . 84.9 mt -87.3 -23.76 24.54 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.997 -1.064 . . . . 0.0 109.804 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 646' ' ' ASN . . . . . . . . . . . . . 54.1 t30 -91.98 -17.5 25.03 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.024 -1.048 . . . . 0.0 110.421 -179.415 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 647' ' ' LYS . . . . . . . . . . . . . 3.6 ttmp? -93.38 -13.1 28.47 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 120.966 -1.084 . . . . 0.0 109.404 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 648' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -108.09 17.99 21.68 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.195 -0.941 . . . . 0.0 109.16 179.37 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 649' ' ' MET . . . . . . . . . . . . . 42.8 tpp -96.52 100.05 11.66 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.422 -0.798 . . . . 0.0 109.342 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 650' ' ' ASN . . . . . . . . . . . . . 53.1 t30 . . . . . 0 N--CA 1.491 1.62 0 CA-C-O 117.978 -1.01 . . . . 0.0 109.381 179.934 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 301' ' ' GLU . . . . . 0.415 ' N ' ' CD ' ' A' ' 301' ' ' GLU . 17.8 mp0 . . . . . 0 N--CA 1.488 1.428 0 N-CA-C 105.835 -1.913 . . . . 0.0 105.835 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 302' ' ' PHE . . . . . 0.401 ' CE1' ' SD ' ' A' ' 306' ' ' MET . 0.1 OUTLIER -76.99 -66.6 0.8 Allowed 'General case' 0 C--N 1.31 -1.152 0 CA-C-N 114.861 -1.063 . . . . 0.0 108.994 178.379 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 303' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -61.0 -29.72 69.87 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.08 -1.012 . . . . 0.0 108.687 179.625 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 6.3 t -60.01 -37.9 81.07 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.639 -0.663 . . . . 0.0 111.39 -178.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . 53.8 mttp -103.29 -19.91 14.3 Favored 'General case' 0 N--CA 1.509 2.508 0 O-C-N 120.966 -1.084 . . . . 0.0 109.729 179.523 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 306' ' ' MET . . . . . 0.401 ' SD ' ' CE1' ' A' ' 302' ' ' PHE . 2.1 mtt -70.69 -23.81 62.55 Favored 'General case' 0 C--N 1.297 -1.716 0 N-CA-C 106.958 -1.497 . . . . 0.0 106.958 177.367 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 307' ' ' ASN . . . . . 0.451 ' O ' ' C ' ' A' ' 308' ' ' GLN . 67.4 m-20 -88.48 -40.01 13.78 Favored 'General case' 0 N--CA 1.495 1.788 0 N-CA-C 106.797 -1.557 . . . . 0.0 106.797 178.84 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 308' ' ' GLN . . . . . 0.551 ' O ' ' N ' ' A' ' 310' ' ' CYS . 35.2 tt0 -34.52 -36.7 0.05 OUTLIER 'General case' 0 N--CA 1.508 2.43 0 CA-C-O 121.695 0.76 . . . . 0.0 109.302 178.577 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 309' ' ' VAL . . . . . 0.43 ' N ' ' O ' ' A' ' 307' ' ' ASN . 30.5 t -46.66 -12.87 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.813 0 C-N-CA 120.067 -0.653 . . . . 0.0 109.56 179.141 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 310' ' ' CYS . . . . . 0.551 ' N ' ' O ' ' A' ' 308' ' ' GLN . 0.0 OUTLIER -88.16 16.12 6.59 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.428 -0.795 . . . . 0.0 108.956 179.348 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 311' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 308' ' ' GLN . . . . . . . . 0 N--CA 1.492 2.414 0 N-CA-C 109.851 -1.299 . . . . 0.0 109.851 -179.666 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 593' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.245 0 N-CA-C 109.333 -1.507 . . . . 0.0 109.333 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 594' ' ' SER . . . . . . . . . . . . . 66.8 m -78.79 165.49 23.52 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.228 -1.16 . . . . 0.0 110.061 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 595' ' ' LEU . . . . . 0.569 ' N ' HD12 ' B' ' 595' ' ' LEU . 8.0 mp -92.57 118.77 31.35 Favored 'General case' 0 C--N 1.3 -1.57 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 596' ' ' LEU . . . . . 0.496 ' H ' HD12 ' B' ' 596' ' ' LEU . 0.0 OUTLIER -127.32 158.03 38.32 Favored 'General case' 0 N--CA 1.502 2.152 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 179.893 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 597' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -101.24 -142.76 0.34 Allowed 'General case' 0 N--CA 1.501 2.086 0 O-C-N 121.177 -0.952 . . . . 0.0 111.353 -178.401 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 598' ' ' CYS . . . . . 0.551 ' O ' ' N ' ' B' ' 600' ' ' GLU . 7.1 p -74.36 -103.52 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.459 -0.775 . . . . 0.0 111.421 -178.046 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 599' ' ' SER . . . . . 0.498 ' O ' ' N ' ' B' ' 602' ' ' TRP . 26.1 t -44.59 -16.95 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.919 0 CA-C-O 122.041 0.924 . . . . 0.0 109.451 -179.251 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 600' ' ' GLU . . . . . 0.551 ' N ' ' O ' ' B' ' 598' ' ' CYS . 8.3 tp10 -43.85 -42.13 5.51 Favored 'General case' 0 C--N 1.302 -1.467 0 CA-C-O 122.573 1.177 . . . . 0.0 108.953 179.095 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 601' ' ' ILE . . . . . 0.536 ' O ' ' N ' ' B' ' 604' ' ' ARG . 1.3 mp -69.52 -33.06 55.31 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.086 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 -178.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 602' ' ' TRP . . . . . 0.498 ' N ' ' O ' ' B' ' 599' ' ' SER . 62.0 t-105 -44.94 -37.6 4.09 Favored 'General case' 0 N--CA 1.494 1.754 0 N-CA-C 107.817 -1.179 . . . . 0.0 107.817 179.725 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 603' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -69.17 -43.81 73.5 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 107.534 -1.284 . . . . 0.0 107.534 177.543 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 604' ' ' ARG . . . . . 0.569 ' CG ' HH11 ' B' ' 604' ' ' ARG . 0.0 OUTLIER -56.07 -42.74 77.15 Favored 'General case' 0 N--CA 1.497 1.924 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 178.683 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 605' ' ' ILE . . . . . . . . . . . . . 54.8 mt -72.23 -46.54 57.36 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.796 0 O-C-N 121.701 -0.625 . . . . 0.0 109.947 179.181 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 606' ' ' THR . . . . . . . . . . . . . 18.0 m . . . . . 0 C--N 1.302 -1.461 0 O-C-N 120.939 -1.1 . . . . 0.0 109.85 -179.418 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 614' ' ' ILE . . . . . 0.735 HG22 ' H ' ' B' ' 615' ' ' ASP . 68.4 mt . . . . . 0 N--CA 1.497 1.911 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 615' ' ' ASP . . . . . 0.735 ' H ' HG22 ' B' ' 614' ' ' ILE . 75.9 m-20 -118.91 106.44 12.48 Favored 'General case' 0 N--CA 1.495 1.798 0 N-CA-C 108.153 -1.055 . . . . 0.0 108.153 179.327 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 616' ' ' VAL . . . . . . . . . . . . . 17.5 t -80.27 -16.77 12.72 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.623 0 O-C-N 121.426 -0.796 . . . . 0.0 109.169 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 617' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -72.74 -46.65 52.42 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.323 -0.861 . . . . 0.0 110.672 -178.839 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 618' ' ' GLY . . . . . . . . . . . . . . . -69.35 -41.99 76.16 Favored Glycine 0 N--CA 1.492 2.379 0 N-CA-C 109.568 -1.413 . . . . 0.0 109.568 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 619' ' ' LEU . . . . . 0.716 HD22 HD21 ' B' ' 645' ' ' LEU . 20.5 tp -61.95 -22.57 65.74 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.283 -1.128 . . . . 0.0 108.622 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 620' ' ' CYS . . . . . . . . . . . . . 19.1 t -73.37 -48.82 31.02 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.124 -0.985 . . . . 0.0 110.898 -179.47 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 24.9 m -80.78 0.13 36.14 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 120.83 -1.169 . . . . 0.0 109.356 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 622' ' ' GLU . . . . . 0.482 ' OE2' ' NZ ' ' B' ' 626' ' ' LYS . 5.7 tp10 -98.24 -48.81 4.94 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.549 -0.719 . . . . 0.0 110.047 178.88 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 623' ' ' LEU . . . . . 0.576 HD11 HD11 ' B' ' 619' ' ' LEU . 14.4 mt -85.73 -19.26 31.08 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 120.312 -1.492 . . . . 0.0 110.119 -179.74 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 624' ' ' MET . . . . . . . . . . . . . 28.3 ttt -73.33 -30.26 63.23 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.128 -0.983 . . . . 0.0 111.679 -178.308 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 625' ' ' ALA . . . . . . . . . . . . . . . -103.94 -5.86 21.84 Favored 'General case' 0 N--CA 1.506 2.339 0 O-C-N 120.8 -1.188 . . . . 0.0 109.752 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 626' ' ' LYS . . . . . 0.482 ' NZ ' ' OE2' ' B' ' 622' ' ' GLU . 42.7 mttp -89.01 -9.31 51.84 Favored 'General case' 0 N--CA 1.492 1.645 0 N-CA-C 106.066 -1.827 . . . . 0.0 106.066 176.271 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 627' ' ' ALA . . . . . . . . . . . . . . . -42.71 140.65 1.24 Allowed 'General case' 0 N--CA 1.491 1.585 0 CA-C-N 115.268 -0.878 . . . . 0.0 111.108 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 628' ' ' LYS . . . . . . . . . . . . . 44.2 mtmt -120.78 92.39 3.75 Favored 'General case' 0 N--CA 1.498 1.947 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 178.587 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 629' ' ' CYS . . . . . . . . . . . . . 1.3 m -51.3 117.38 2.56 Favored 'General case' 0 N--CA 1.494 1.768 0 CA-C-O 122.25 1.024 . . . . 0.0 111.748 -177.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 630' ' ' SER . . . . . . . . . . . . . 31.1 t -142.79 158.23 43.84 Favored 'General case' 0 N--CA 1.496 1.832 0 N-CA-C 107.391 -1.337 . . . . 0.0 107.391 177.702 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 631' ' ' GLU . . . . . 0.615 ' H ' ' CD ' ' B' ' 631' ' ' GLU . 12.4 pm0 -62.88 -23.56 67.38 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.247 -1.533 . . . . 0.0 109.806 -179.42 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 51.2 ttt180 -78.52 34.27 0.21 Allowed 'General case' 0 N--CA 1.491 1.598 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 178.149 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 633' ' ' GLY . . . . . 0.491 ' H ' ' C ' ' B' ' 631' ' ' GLU . . . 73.54 -171.89 51.16 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 107.476 -2.25 . . . . 0.0 107.476 -178.416 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 634' ' ' VAL . . . . . . . . . . . . . 7.1 p -76.71 140.34 17.34 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.385 0 O-C-N 120.341 -1.682 . . . . 0.0 109.22 179.253 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 15.8 m -133.16 135.86 56.02 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.121 0 O-C-N 121.117 -0.99 . . . . 0.0 109.598 179.052 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 636' ' ' ILE . . . . . 0.431 ' O ' HD12 ' B' ' 596' ' ' LEU . 95.2 mt -133.26 156.88 42.42 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.835 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 -179.576 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 637' ' ' ASN . . . . . 0.501 ' O ' ' N ' ' B' ' 639' ' ' GLU . 5.8 m120 -87.17 126.08 34.57 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.882 -1.136 . . . . 0.0 110.887 -179.188 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -48.29 -10.46 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.881 -0.512 . . . . 0.0 109.854 178.46 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 639' ' ' GLU . . . . . 0.501 ' N ' ' O ' ' B' ' 637' ' ' ASN . 37.8 tt0 -74.94 -17.39 60.56 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.028 -1.045 . . . . 0.0 109.331 179.165 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 640' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -87.96 -41.53 13.08 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 120.59 -1.319 . . . . 0.0 108.729 177.655 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 641' ' ' VAL . . . . . 0.418 ' H ' HG13 ' B' ' 641' ' ' VAL . 1.0 OUTLIER -70.38 -34.98 60.35 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.901 0 O-C-N 120.857 -1.152 . . . . 0.0 108.802 179.024 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 642' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -70.32 -38.54 74.92 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.347 -0.845 . . . . 0.0 109.717 -179.673 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 643' ' ' LEU . . . . . . . . . . . . . 88.1 mt -83.63 -19.15 35.95 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.013 -1.054 . . . . 0.0 108.865 178.735 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 644' ' ' ALA . . . . . . . . . . . . . . . -86.79 -53.14 5.09 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.908 -1.12 . . . . 0.0 108.066 178.01 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 645' ' ' LEU . . . . . 0.716 HD21 HD22 ' B' ' 619' ' ' LEU . 86.3 mt -56.22 -70.09 0.13 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.312 -0.868 . . . . 0.0 109.194 178.419 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 646' ' ' ASN . . . . . . . . . . . . . 33.7 p-10 -47.57 -9.79 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.944 -1.097 . . . . 0.0 110.948 -178.817 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 647' ' ' LYS . . . . . 0.535 ' N ' ' O ' ' B' ' 645' ' ' LEU . 22.7 ttmt -100.96 174.24 6.11 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.075 -1.016 . . . . 0.0 109.785 -179.502 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 648' ' ' HIS . . . . . 0.496 ' N ' ' CG ' ' B' ' 647' ' ' LYS . 63.4 m-70 55.71 9.59 0.44 Allowed 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 -179.713 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 649' ' ' MET . . . . . 0.432 ' H ' ' C ' ' B' ' 647' ' ' LYS . 13.4 ttm -94.23 144.2 25.72 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.554 -0.716 . . . . 0.0 109.563 -179.099 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 650' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 117.95 -1.024 . . . . 0.0 109.369 -179.963 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 279' ' ' ASN . . . . . . . . . . . . . 36.5 t-20 . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . 16.8 mt -68.49 -149.06 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.218 -0.927 . . . . 0.0 109.43 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 281' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -157.56 -0.91 0.11 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.212 -0.93 . . . . 0.0 109.441 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 282' ' ' SER . . . . . 0.537 ' O ' ' N ' ' A' ' 284' ' ' MET . 59.2 m -61.39 -161.53 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.272 -0.893 . . . . 0.0 109.419 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 283' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 62.12 -71.88 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.549 -0.719 . . . . 0.0 109.662 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 284' ' ' MET . . . . . 0.537 ' N ' ' O ' ' A' ' 282' ' ' SER . 50.2 mtt -47.41 138.92 7.08 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.17 -0.956 . . . . 0.0 109.669 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 285' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -73.35 175.38 6.96 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.283 -0.885 . . . . 0.0 109.477 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 286' ' ' SER . . . . . . . . . . . . . 39.5 t -70.75 178.8 2.9 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.227 -0.92 . . . . 0.0 109.487 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 287' ' ' ASN . . . . . . . . . . . . . 21.0 m120 -157.63 84.82 0.9 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.269 -0.894 . . . . 0.0 109.404 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 288' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -158.06 72.82 0.65 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.328 -0.857 . . . . 0.0 109.524 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 289' ' ' PHE . . . . . . . . . . . . . 46.8 p90 -70.84 -14.84 62.55 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.17 -0.956 . . . . 0.0 109.443 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 290' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -67.49 -12.6 60.7 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.238 -0.914 . . . . 0.0 109.357 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 291' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -60.96 -37.66 83.17 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.304 -0.873 . . . . 0.0 109.357 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 292' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -168.7 -56.9 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.237 -0.914 . . . . 0.0 109.51 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 293' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -171.27 -64.76 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.279 -0.888 . . . . 0.0 109.522 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 294' ' ' GLN . . . . . . . . . . . . . 80.1 mm-40 -80.21 164.96 22.86 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.308 -0.87 . . . . 0.0 109.545 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 295' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -70.81 155.73 40.42 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.283 -0.886 . . . . 0.0 109.477 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -74.03 -42.42 60.32 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.283 -0.885 . . . . 0.0 109.453 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 297' ' ' GLU . . . . . . . . . . . . . 52.8 mm-40 52.21 -153.15 0.22 Allowed 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.255 -0.903 . . . . 0.0 109.462 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 298' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -163.34 -7.92 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.252 -0.905 . . . . 0.0 109.342 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 299' ' ' VAL . . . . . . . . . . . . . 2.5 m -147.45 85.79 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.862 0 O-C-N 121.116 -0.99 . . . . 0.0 109.181 179.514 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 300' ' ' SER . . . . . 0.528 ' O ' ' N ' ' A' ' 304' ' ' SER . 7.6 t -124.75 -127.31 0.25 Allowed 'General case' 0 N--CA 1.492 1.648 0 CA-C-O 121.483 0.659 . . . . 0.0 109.87 -178.698 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 301' ' ' GLU . . . . . . . . . . . . . 21.0 pt-20 -45.9 -35.89 4.95 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.478 -0.764 . . . . 0.0 109.072 179.274 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 302' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -61.83 -64.76 0.84 Allowed 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.563 -0.71 . . . . 0.0 109.298 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 303' ' ' CYS . . . . . . . . . . . . . 19.9 t -76.54 -48.1 20.49 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.191 -0.943 . . . . 0.0 110.624 -179.455 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 304' ' ' SER . . . . . 0.528 ' N ' ' O ' ' A' ' 300' ' ' SER . 16.2 m -51.7 -20.16 1.95 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.291 -0.881 . . . . 0.0 111.142 -178.751 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -102.97 -19.17 14.69 Favored 'General case' 0 N--CA 1.504 2.259 0 O-C-N 120.947 -1.096 . . . . 0.0 108.78 178.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 306' ' ' MET . . . . . . . . . . . . . 19.8 mmm -70.06 -23.44 63.08 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 107.662 -1.236 . . . . 0.0 107.662 177.408 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 307' ' ' ASN . . . . . 0.438 ' O ' ' C ' ' A' ' 308' ' ' GLN . 3.9 m-80 -91.82 -37.48 12.92 Favored 'General case' 0 N--CA 1.499 2.003 0 N-CA-C 106.931 -1.507 . . . . 0.0 106.931 178.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 308' ' ' GLN . . . . . 0.541 ' O ' ' N ' ' A' ' 310' ' ' CYS . 29.2 tt0 -35.64 -38.71 0.12 Allowed 'General case' 0 N--CA 1.506 2.347 0 CA-C-O 121.748 0.785 . . . . 0.0 109.255 178.321 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 309' ' ' VAL . . . . . 0.482 HG21 ' O ' ' B' ' 624' ' ' MET . 48.6 t -46.8 -12.42 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.775 0 CA-C-O 121.526 0.679 . . . . 0.0 109.759 179.377 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 310' ' ' CYS . . . . . 0.541 ' N ' ' O ' ' A' ' 308' ' ' GLN . 4.2 t -73.63 9.9 1.27 Allowed 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.512 -0.743 . . . . 0.0 109.547 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 311' ' ' GLY . . . . . . . . . . . . . . . -75.45 133.74 15.28 Favored Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.412 -1.475 . . . . 0.0 109.412 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 312' ' ' THR . . . . . . . . . . . . . 31.1 m -76.89 118.38 19.43 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.177 -1.19 . . . . 0.0 109.531 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 313' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 . . . . . 0 N--CA 1.489 1.524 0 CA-C-O 117.979 -1.01 . . . . 0.0 109.512 179.969 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 565' ' ' ASN . . . . . . . . . . . . . 42.3 p-10 . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 566' ' ' GLY . . . . . . . . . . . . . . . 178.84 149.81 8.45 Favored Glycine 0 N--CA 1.49 2.274 0 N-CA-C 109.572 -1.411 . . . . 0.0 109.572 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 567' ' ' SER . . . . . 0.504 ' O ' ' N ' ' B' ' 569' ' ' LEU . 91.1 p -65.78 -14.07 60.64 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.249 -1.148 . . . . 0.0 109.441 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 568' ' ' SER . . . . . 0.476 ' C ' ' H ' ' B' ' 570' ' ' GLN . 1.8 t 67.19 -51.62 0.48 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.449 -0.782 . . . . 0.0 109.682 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 569' ' ' LEU . . . . . 0.573 ' N ' HD12 ' B' ' 569' ' ' LEU . 7.9 mp -73.15 17.2 0.13 Allowed 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.118 -0.989 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 570' ' ' GLN . . . . . 0.476 ' H ' ' C ' ' B' ' 568' ' ' SER . 66.2 tp60 -63.0 80.05 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.264 -0.898 . . . . 0.0 109.378 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 571' ' ' ASN . . . . . 0.471 ' N ' ' O ' ' B' ' 569' ' ' LEU . 19.0 m120 -74.06 107.27 6.15 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.278 -0.889 . . . . 0.0 109.372 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -170.29 -169.24 0.81 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.312 -0.868 . . . . 0.0 109.443 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 573' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -157.98 -174.99 5.1 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.274 -0.891 . . . . 0.0 109.399 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 574' ' ' LYS . . . . . . . . . . . . . 23.8 pttm -72.74 137.06 45.66 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.198 -0.939 . . . . 0.0 109.572 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 575' ' ' ILE . . . . . . . . . . . . . 19.3 pt -81.55 24.86 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.265 -0.897 . . . . 0.0 109.484 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 576' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -68.19 -64.05 0.94 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.242 -0.911 . . . . 0.0 109.438 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 577' ' ' ASN . . . . . . . . . . . . . 53.3 t30 53.43 19.91 1.82 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.261 -0.9 . . . . 0.0 109.455 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 578' ' ' GLY . . . . . . . . . . . . . . . -75.72 97.03 1.08 Allowed Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.513 -1.435 . . . . 0.0 109.513 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 579' ' ' ASN . . . . . . . . . . . . . 62.2 m-80 -75.65 -56.31 4.81 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.286 -1.126 . . . . 0.0 109.427 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 580' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 53.13 69.65 0.68 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.256 -0.902 . . . . 0.0 109.483 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 581' ' ' ASN . . . . . . . . . . . . . 36.7 p30 -76.26 62.08 1.72 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.309 -0.869 . . . . 0.0 109.434 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 582' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -72.17 144.0 48.71 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.273 -0.892 . . . . 0.0 109.428 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 583' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -73.99 -179.58 3.84 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.276 -0.89 . . . . 0.0 109.456 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 584' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -69.03 78.38 0.33 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.24 -0.913 . . . . 0.0 109.501 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 585' ' ' ASN . . . . . . . . . . . . . 29.6 m120 -77.58 69.8 3.88 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.23 -0.919 . . . . 0.0 109.505 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 586' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -79.19 104.18 9.64 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.275 -0.891 . . . . 0.0 109.365 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 587' ' ' VAL . . . . . . . . . . . . . 2.2 m -149.22 121.88 1.47 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.289 -0.882 . . . . 0.0 109.076 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 588' ' ' VAL . . . . . . . . . . . . . 14.2 t 50.01 67.54 4.31 Favored Pre-proline 0 N--CA 1.49 1.533 0 O-C-N 121.19 -0.944 . . . . 0.0 109.655 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 589' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -62.3 174.07 2.91 Favored 'Trans proline' 0 C--N 1.317 -1.091 0 C-N-CA 121.444 1.429 . . . . 0.0 109.748 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 590' ' ' SER . . . . . . . . . . . . . 30.5 t -160.01 32.82 0.18 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.257 -0.902 . . . . 0.0 109.445 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 591' ' ' LYS . . . . . . . . . . . . . 43.4 pttt -94.0 177.91 5.83 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.339 -0.85 . . . . 0.0 109.443 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 592' ' ' GLU . . . . . 0.454 ' OE2' ' N ' ' B' ' 593' ' ' GLY . 0.9 OUTLIER -73.78 120.54 19.52 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.259 -0.9 . . . . 0.0 109.246 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 593' ' ' GLY . . . . . 0.454 ' N ' ' OE2' ' B' ' 592' ' ' GLU . . . 166.62 110.32 0.23 Allowed Glycine 0 N--CA 1.489 2.233 0 N-CA-C 109.315 -1.514 . . . . 0.0 109.315 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 594' ' ' SER . . . . . . . . . . . . . 74.4 m -82.27 164.55 21.08 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.223 -1.163 . . . . 0.0 109.987 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 595' ' ' LEU . . . . . . . . . . . . . 5.4 tt -94.06 117.54 30.24 Favored 'General case' 0 C--N 1.299 -1.605 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 596' ' ' LEU . . . . . 0.631 ' H ' HD12 ' B' ' 596' ' ' LEU . 0.0 OUTLIER -131.04 161.63 31.6 Favored 'General case' 0 N--CA 1.504 2.256 0 O-C-N 121.372 -0.83 . . . . 0.0 109.206 -179.834 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 597' ' ' ARG . . . . . 0.488 ' H ' ' CB ' ' B' ' 600' ' ' GLU . 0.9 OUTLIER -109.99 -156.17 0.58 Allowed 'General case' 0 N--CA 1.504 2.228 0 CA-C-O 121.687 0.756 . . . . 0.0 111.216 -178.864 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 598' ' ' CYS . . . . . 0.53 ' O ' ' N ' ' B' ' 600' ' ' GLU . 7.1 p -59.02 -105.39 0.0 OUTLIER 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.734 -0.604 . . . . 0.0 111.777 -178.046 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 599' ' ' SER . . . . . 0.528 ' O ' ' N ' ' B' ' 602' ' ' TRP . 14.5 t -44.21 -18.12 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.853 0 CA-C-O 121.852 0.834 . . . . 0.0 109.593 -178.719 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 600' ' ' GLU . . . . . 0.53 ' N ' ' O ' ' B' ' 598' ' ' CYS . 5.4 tp10 -47.63 -38.13 14.09 Favored 'General case' 0 C--N 1.301 -1.508 0 CA-C-O 122.733 1.254 . . . . 0.0 108.108 179.182 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 601' ' ' ILE . . . . . 0.574 ' O ' ' N ' ' B' ' 604' ' ' ARG . 1.3 mp -69.47 -32.04 51.49 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.07 0 N-CA-C 107.423 -1.325 . . . . 0.0 107.423 -179.323 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 602' ' ' TRP . . . . . 0.528 ' N ' ' O ' ' B' ' 599' ' ' SER . 59.4 t-105 -45.46 -36.77 4.63 Favored 'General case' 0 N--CA 1.495 1.809 0 N-CA-C 107.228 -1.397 . . . . 0.0 107.228 179.266 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 603' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -68.12 -43.55 78.15 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 107.5 -1.296 . . . . 0.0 107.5 177.33 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 604' ' ' ARG . . . . . 0.574 ' N ' ' O ' ' B' ' 601' ' ' ILE . 4.7 tpp180 -55.76 -50.47 70.34 Favored 'General case' 0 N--CA 1.497 1.923 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 178.513 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 605' ' ' ILE . . . . . 0.557 ' O ' ' CD2' ' B' ' 608' ' ' HIS . 25.7 mm -46.98 -46.6 8.44 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.993 0 O-C-N 121.65 -0.656 . . . . 0.0 109.922 178.677 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 606' ' ' THR . . . . . 0.552 ' O ' ' N ' ' B' ' 608' ' ' HIS . 75.1 p -68.2 -50.4 54.48 Favored 'General case' 0 C--N 1.297 -1.682 0 O-C-N 120.618 -1.301 . . . . 0.0 110.493 -178.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 607' ' ' THR . . . . . 0.403 ' OG1' ' O ' ' B' ' 604' ' ' ARG . 45.5 p -46.54 -2.17 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.873 0 N-CA-C 113.672 0.99 . . . . 0.0 113.672 -177.551 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 608' ' ' HIS . . . . . 0.6 ' O ' ' ND1' ' B' ' 608' ' ' HIS . 32.9 p80 -125.27 98.63 35.11 Favored Pre-proline 0 N--CA 1.511 2.578 0 O-C-N 120.408 -1.433 . . . . 0.0 110.526 179.429 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 609' ' ' PRO . . . . . . . . . . . . . 7.0 Cg_exo -60.07 6.71 0.1 Allowed 'Trans proline' 0 N--CA 1.482 0.82 0 C-N-CA 121.647 1.564 . . . . 0.0 110.421 178.69 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 610' ' ' LYS . . . . . 0.52 ' H ' ' C ' ' B' ' 608' ' ' HIS . 79.0 tttt -72.34 -93.58 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.44 0 O-C-N 120.928 -1.107 . . . . 0.0 109.766 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 611' ' ' TYR . . . . . 0.428 ' O ' ' O ' ' B' ' 610' ' ' LYS . 0.1 OUTLIER 62.27 148.85 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.685 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 -179.478 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 612' ' ' SER . . . . . . . . . . . . . 6.1 p -176.77 -64.85 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.792 -1.192 . . . . 0.0 109.067 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 613' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -151.64 69.26 0.92 Allowed 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.331 -0.856 . . . . 0.0 109.233 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 614' ' ' ILE . . . . . 0.573 HG22 ' N ' ' B' ' 615' ' ' ASP . 77.3 mt -101.08 165.72 2.55 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.793 0 O-C-N 121.362 -0.836 . . . . 0.0 109.445 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 615' ' ' ASP . . . . . 0.573 ' N ' HG22 ' B' ' 614' ' ' ILE . 30.6 p-10 -119.9 117.52 28.33 Favored 'General case' 0 N--CA 1.495 1.8 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 179.364 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 616' ' ' VAL . . . . . . . . . . . . . 27.7 m -77.95 -16.79 14.02 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.389 -0.819 . . . . 0.0 108.988 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 617' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -75.07 -36.47 61.77 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.381 -0.824 . . . . 0.0 109.592 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 618' ' ' GLY . . . . . . . . . . . . . . . -67.27 -36.86 90.33 Favored Glycine 0 N--CA 1.488 2.162 0 N-CA-C 109.667 -1.373 . . . . 0.0 109.667 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 619' ' ' LEU . . . . . 0.424 HD13 HD21 ' B' ' 645' ' ' LEU . 3.5 mt -65.53 -29.34 69.96 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.016 -1.285 . . . . 0.0 108.109 179.516 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 620' ' ' CYS . . . . . . . . . . . . . 49.2 t -64.86 -52.72 55.09 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.599 -0.688 . . . . 0.0 110.702 -179.475 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 35.2 t -81.54 -2.78 51.2 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 120.433 -1.417 . . . . 0.0 110.123 -179.458 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 622' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -100.44 -43.29 6.27 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.134 -0.979 . . . . 0.0 109.273 178.235 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 623' ' ' LEU . . . . . . . . . . . . . 10.0 mp -87.51 -19.48 27.87 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 120.55 -1.344 . . . . 0.0 110.02 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 624' ' ' MET . . . . . 0.482 ' O ' HG21 ' A' ' 309' ' ' VAL . 0.8 OUTLIER -75.84 -27.87 58.01 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 120.775 -1.203 . . . . 0.0 111.643 -178.043 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 625' ' ' ALA . . . . . . . . . . . . . . . -101.89 -5.1 25.15 Favored 'General case' 0 N--CA 1.506 2.371 0 O-C-N 120.631 -1.293 . . . . 0.0 109.184 179.557 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 626' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -95.65 -12.39 25.64 Favored 'General case' 0 N--CA 1.493 1.716 0 N-CA-C 105.451 -2.055 . . . . 0.0 105.451 175.691 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 627' ' ' ALA . . . . . . . . . . . . . . . -48.65 145.05 3.87 Favored 'General case' 0 N--CA 1.492 1.635 0 CA-C-N 115.318 -0.855 . . . . 0.0 111.082 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 628' ' ' LYS . . . . . . . . . . . . . 44.4 mtpt -126.02 89.22 2.98 Favored 'General case' 0 N--CA 1.497 1.9 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 179.052 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 629' ' ' CYS . . . . . . . . . . . . . 18.2 t -49.28 120.7 4.24 Favored 'General case' 0 N--CA 1.494 1.734 0 CA-C-O 122.309 1.052 . . . . 0.0 111.376 -178.326 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 630' ' ' SER . . . . . . . . . . . . . 31.1 m -143.28 161.31 38.63 Favored 'General case' 0 N--CA 1.495 1.781 0 N-CA-C 107.861 -1.162 . . . . 0.0 107.861 178.577 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 631' ' ' GLU . . . . . 0.495 ' C ' ' H ' ' B' ' 633' ' ' GLY . 43.3 mm-40 -62.23 -24.61 67.35 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.477 -1.39 . . . . 0.0 109.0 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 56.6 mtp180 -80.39 33.25 0.29 Allowed 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 107.363 -1.347 . . . . 0.0 107.363 177.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 633' ' ' GLY . . . . . 0.495 ' H ' ' C ' ' B' ' 631' ' ' GLU . . . 71.14 -170.55 47.38 Favored Glycine 0 N--CA 1.488 2.149 0 N-CA-C 107.731 -2.148 . . . . 0.0 107.731 -178.441 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 634' ' ' VAL . . . . . . . . . . . . . 7.5 p -73.88 139.04 20.0 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.451 0 O-C-N 120.601 -1.529 . . . . 0.0 109.276 179.372 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 26.0 m -133.25 136.13 55.45 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.13 0 O-C-N 121.175 -0.953 . . . . 0.0 109.669 179.535 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 636' ' ' ILE . . . . . 0.412 HG22 ' N ' ' B' ' 637' ' ' ASN . 96.3 mt -134.97 154.74 37.0 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.847 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 -179.796 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 637' ' ' ASN . . . . . 0.412 ' N ' HG22 ' B' ' 636' ' ' ILE . 3.7 m120 -81.56 132.38 35.31 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.099 -1.001 . . . . 0.0 110.122 -179.803 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -52.38 -10.57 0.15 Allowed 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.653 -0.655 . . . . 0.0 110.309 179.621 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 639' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -77.72 -19.76 54.69 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.837 -1.164 . . . . 0.0 109.526 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 640' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -88.65 -37.09 15.86 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 120.596 -1.315 . . . . 0.0 108.674 177.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 641' ' ' VAL . . . . . . . . . . . . . 2.1 m -76.0 -27.31 18.07 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.745 0 O-C-N 121.079 -1.013 . . . . 0.0 109.059 179.001 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 642' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -76.9 -33.51 57.78 Favored 'General case' 0 N--CA 1.491 1.625 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 178.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 643' ' ' LEU . . . . . . . . . . . . . 90.0 mt -85.33 -21.76 28.79 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.233 -0.917 . . . . 0.0 108.679 178.56 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 644' ' ' ALA . . . . . . . . . . . . . . . -85.65 -28.06 24.99 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.97 -1.081 . . . . 0.0 108.284 178.209 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 645' ' ' LEU . . . . . 0.424 HD21 HD13 ' B' ' 619' ' ' LEU . 66.0 mt -87.59 -23.33 24.34 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.444 -0.785 . . . . 0.0 109.455 179.259 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 646' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -94.1 -13.24 27.02 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.984 -1.073 . . . . 0.0 110.846 -179.088 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 647' ' ' LYS . . . . . . . . . . . . . 18.5 ptmt -91.37 -9.33 45.21 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 120.654 -1.279 . . . . 0.0 109.906 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 648' ' ' HIS . . . . . . . . . . . . . 40.2 m-70 -111.76 18.13 19.22 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.453 -0.779 . . . . 0.0 109.479 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 649' ' ' MET . . . . . . . . . . . . . 40.3 tpp -96.15 99.7 11.42 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.209 -0.932 . . . . 0.0 109.386 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 650' ' ' ASN . . . . . . . . . . . . . 12.9 m120 . . . . . 0 N--CA 1.491 1.609 0 CA-C-O 118.024 -0.989 . . . . 0.0 109.432 179.933 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 279' ' ' ASN . . . . . 0.458 ' C ' ' H ' ' A' ' 281' ' ' ASP . 17.9 m120 . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . 14.3 mt -74.87 21.44 0.11 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.307 -0.871 . . . . 0.0 109.444 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 281' ' ' ASP . . . . . 0.458 ' H ' ' C ' ' A' ' 279' ' ' ASN . 19.2 t70 -66.3 -0.85 2.85 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.235 -0.916 . . . . 0.0 109.411 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 282' ' ' SER . . . . . 0.426 ' O ' ' O ' ' A' ' 281' ' ' ASP . 11.3 m 53.05 175.57 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.236 -0.915 . . . . 0.0 109.453 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 283' ' ' ASN . . . . . 0.52 ' OD1' ' N ' ' A' ' 284' ' ' MET . 21.4 p30 -77.62 -144.46 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.271 -0.893 . . . . 0.0 109.53 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 284' ' ' MET . . . . . 0.52 ' N ' ' OD1' ' A' ' 283' ' ' ASN . 64.0 mtm -151.55 131.26 13.16 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.247 -0.908 . . . . 0.0 109.261 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 285' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -76.96 138.03 39.41 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.269 -0.894 . . . . 0.0 109.435 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 286' ' ' SER . . . . . . . . . . . . . 96.8 p -78.17 166.04 23.22 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.338 -0.851 . . . . 0.0 109.535 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 287' ' ' ASN . . . . . . . . . . . . . 58.1 t-20 -72.55 85.48 1.16 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.287 -0.883 . . . . 0.0 109.199 179.726 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 288' ' ' ASP . . . . . 0.401 ' OD2' ' OE1' ' A' ' 294' ' ' GLN . 15.9 p-10 -76.86 -160.09 0.15 Allowed 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.251 -0.905 . . . . 0.0 109.364 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 289' ' ' PHE . . . . . . . . . . . . . 42.1 p90 -165.47 27.03 0.05 Allowed 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.215 -0.928 . . . . 0.0 109.449 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 290' ' ' ASN . . . . . . . . . . . . . 45.9 p-10 -163.68 -142.39 0.06 Allowed 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.219 -0.926 . . . . 0.0 109.41 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 291' ' ' PHE . . . . . . . . . . . . . 24.0 p90 -170.34 22.65 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.221 -0.925 . . . . 0.0 109.481 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 292' ' ' GLU . . . . . . . . . . . . . 72.1 mt-10 -67.82 -29.24 68.35 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.243 -0.911 . . . . 0.0 109.432 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 293' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -168.59 -73.82 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.21 -0.931 . . . . 0.0 109.437 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 294' ' ' GLN . . . . . 0.401 ' OE1' ' OD2' ' A' ' 288' ' ' ASP . 53.3 tt0 51.06 74.75 0.22 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.177 -0.952 . . . . 0.0 109.383 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 295' ' ' PHE . . . . . 0.521 ' O ' ' CD2' ' A' ' 295' ' ' PHE . 70.6 t80 -81.27 44.54 0.79 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.166 -0.959 . . . . 0.0 109.361 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . 12.0 t70 55.47 76.65 0.26 Allowed 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.303 -0.873 . . . . 0.0 109.395 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 297' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -141.12 -172.22 3.44 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.295 -0.878 . . . . 0.0 109.099 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 298' ' ' GLN . . . . . . . . . . . . . 35.0 mm-40 -81.65 -48.88 11.16 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.152 -0.968 . . . . 0.0 109.639 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 299' ' ' VAL . . . . . 0.522 ' O ' ' CB ' ' A' ' 300' ' ' SER . 48.8 t -132.06 -83.88 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.499 2.001 0 O-C-N 121.371 -0.83 . . . . 0.0 109.482 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 300' ' ' SER . . . . . 0.522 ' CB ' ' O ' ' A' ' 299' ' ' VAL . 3.3 m 156.18 -109.61 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.307 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 179.622 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 301' ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 -61.1 -24.48 66.28 Favored 'General case' 0 C--N 1.306 -1.294 0 N-CA-C 108.423 -0.955 . . . . 0.0 108.423 179.42 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 302' ' ' PHE . . . . . 0.509 ' CB ' HG11 ' A' ' 299' ' ' VAL . 19.8 t80 -67.72 -58.46 4.6 Favored 'General case' 0 C--N 1.306 -1.291 0 C-N-CA 119.093 -1.043 . . . . 0.0 109.376 -178.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 303' ' ' CYS . . . . . 0.498 ' SG ' ' OG ' ' B' ' 599' ' ' SER . 58.3 m -79.29 -51.6 9.23 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.253 -0.904 . . . . 0.0 110.117 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 19.2 t -48.26 -26.77 2.12 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.35 -0.844 . . . . 0.0 111.076 -178.63 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . 24.3 mtpp -102.09 -13.89 17.32 Favored 'General case' 0 N--CA 1.502 2.166 0 O-C-N 120.873 -1.142 . . . . 0.0 108.972 178.708 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 306' ' ' MET . . . . . . . . . . . . . 5.7 tpp -72.4 -27.07 62.13 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 120.55 -1.344 . . . . 0.0 107.507 177.029 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 307' ' ' ASN . . . . . 0.486 ' O ' ' N ' ' A' ' 310' ' ' CYS . 1.2 p-10 -86.42 -38.15 17.64 Favored 'General case' 0 N--CA 1.498 1.944 0 N-CA-C 106.734 -1.58 . . . . 0.0 106.734 178.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 308' ' ' GLN . . . . . 0.524 ' O ' ' N ' ' A' ' 311' ' ' GLY . 9.0 tp-100 -37.36 -41.16 0.4 Allowed 'General case' 0 N--CA 1.503 2.224 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 178.735 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 309' ' ' VAL . . . . . . . . . . . . . 15.1 t -46.73 -16.74 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.961 0 CA-C-O 122.081 0.944 . . . . 0.0 109.05 179.155 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 310' ' ' CYS . . . . . 0.515 ' N ' ' O ' ' A' ' 308' ' ' GLN . 54.5 m -93.1 -20.61 20.35 Favored 'General case' 0 C--N 1.303 -1.414 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.907 -179.162 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 311' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' A' ' 308' ' ' GLN . . . -79.35 144.5 27.07 Favored Glycine 0 N--CA 1.491 2.338 0 N-CA-C 109.462 -1.455 . . . . 0.0 109.462 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 312' ' ' THR . . . . . . . . . . . . . 70.8 p -77.72 108.66 11.09 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.234 -1.156 . . . . 0.0 109.509 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 313' ' ' ARG . . . . . . . . . . . . . 11.8 tpp180 . . . . . 0 N--CA 1.49 1.525 0 CA-C-O 117.993 -1.003 . . . . 0.0 109.406 179.861 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 565' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 . . . . . 0 N--CA 1.49 1.541 0 CA-C-O 121.347 0.594 . . . . 0.0 109.487 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 566' ' ' GLY . . . . . . . . . . . . . . . -177.79 149.38 9.22 Favored Glycine 0 N--CA 1.49 2.29 0 N-CA-C 109.53 -1.428 . . . . 0.0 109.53 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 567' ' ' SER . . . . . . . . . . . . . 40.7 t -63.02 122.48 16.15 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.262 -1.14 . . . . 0.0 109.43 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 568' ' ' SER . . . . . . . . . . . . . 29.6 t -169.46 -93.99 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.222 -0.924 . . . . 0.0 109.544 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 569' ' ' LEU . . . . . 0.441 ' O ' ' C ' ' B' ' 570' ' ' GLN . 26.8 mt 52.98 60.95 3.43 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.28 -0.888 . . . . 0.0 109.427 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 570' ' ' GLN . . . . . 0.441 ' C ' ' O ' ' B' ' 569' ' ' LEU . 11.6 pt20 32.28 -113.65 0.05 OUTLIER 'General case' 0 N--CA 1.503 2.214 0 CA-C-O 121.206 0.527 . . . . 0.0 110.899 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 571' ' ' ASN . . . . . . . . . . . . . 14.7 p30 -165.5 -32.39 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.194 -0.941 . . . . 0.0 109.389 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -169.15 -164.85 0.49 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.321 -0.862 . . . . 0.0 109.46 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 573' ' ' ASP . . . . . 0.434 ' O ' ' O ' ' B' ' 574' ' ' LYS . 37.0 t70 -71.37 136.91 48.01 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.294 -0.879 . . . . 0.0 109.408 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 574' ' ' LYS . . . . . 0.434 ' O ' ' O ' ' B' ' 573' ' ' ASP . 0.0 OUTLIER -54.76 -170.52 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.277 -0.889 . . . . 0.0 109.48 -179.872 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 575' ' ' ILE . . . . . . . . . . . . . 82.0 mt -133.58 -77.16 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.964 0 O-C-N 121.452 -0.78 . . . . 0.0 109.347 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 576' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -158.3 -84.89 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.224 -0.922 . . . . 0.0 109.422 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 577' ' ' ASN . . . . . . . . . . . . . 8.4 m120 51.38 -174.94 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.296 -0.877 . . . . 0.0 109.464 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 578' ' ' GLY . . . . . . . . . . . . . . . -178.05 -165.24 32.58 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 109.548 -1.421 . . . . 0.0 109.548 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 579' ' ' ASN . . . . . . . . . . . . . 53.0 m-20 51.91 44.16 29.64 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.239 -1.154 . . . . 0.0 109.477 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 580' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -61.8 -21.93 65.02 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.236 -0.915 . . . . 0.0 109.416 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 581' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -169.32 36.32 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.29 -0.881 . . . . 0.0 109.508 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 582' ' ' ASP . . . . . . . . . . . . . 25.2 t70 52.73 41.25 31.46 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.194 -0.941 . . . . 0.0 109.548 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 583' ' ' ASN . . . . . 0.468 ' ND2' ' H ' ' B' ' 584' ' ' ASP . 7.9 t-20 -169.96 174.65 5.46 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.147 -0.97 . . . . 0.0 109.462 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 584' ' ' ASP . . . . . 0.468 ' H ' ' ND2' ' B' ' 583' ' ' ASN . 16.8 p-10 -72.74 -157.98 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.164 -0.96 . . . . 0.0 109.501 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 585' ' ' ASN . . . . . . . . . . . . . 63.8 m-20 -63.06 -156.89 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.295 -0.878 . . . . 0.0 109.436 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 586' ' ' ASP . . . . . 0.406 ' C ' ' H ' ' B' ' 588' ' ' VAL . 61.2 m-20 -61.22 132.17 52.79 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.215 -0.928 . . . . 0.0 109.422 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 587' ' ' VAL . . . . . 0.458 ' O ' ' C ' ' B' ' 588' ' ' VAL . 2.7 t -77.75 11.84 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.134 -0.979 . . . . 0.0 109.211 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 588' ' ' VAL . . . . . 0.458 ' C ' ' O ' ' B' ' 587' ' ' VAL . 8.3 m 30.89 65.13 0.95 Allowed Pre-proline 0 N--CA 1.504 2.246 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.182 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 589' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -60.45 98.48 0.13 Allowed 'Trans proline' 0 C--N 1.318 -1.077 0 C-N-CA 121.388 1.392 . . . . 0.0 109.868 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 590' ' ' SER . . . . . . . . . . . . . 58.8 m -168.92 32.55 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.199 -0.938 . . . . 0.0 109.536 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 591' ' ' LYS . . . . . 0.428 ' O ' ' O ' ' B' ' 592' ' ' GLU . 59.6 tttp -91.53 -25.1 19.41 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.209 -0.932 . . . . 0.0 109.291 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 592' ' ' GLU . . . . . 0.428 ' O ' ' O ' ' B' ' 591' ' ' LYS . 29.1 tp10 44.32 94.17 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.736 -0.603 . . . . 0.0 110.102 179.699 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 593' ' ' GLY . . . . . . . . . . . . . . . -67.28 -143.89 0.08 OUTLIER Glycine 0 N--CA 1.488 2.148 0 N-CA-C 108.976 -1.65 . . . . 0.0 108.976 179.64 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 594' ' ' SER . . . . . 0.401 ' C ' HD12 ' B' ' 595' ' ' LEU . 69.6 m -108.77 164.51 12.32 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.444 -1.033 . . . . 0.0 110.0 179.788 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 595' ' ' LEU . . . . . 0.573 ' N ' HD12 ' B' ' 595' ' ' LEU . 8.4 mp -94.28 117.99 30.92 Favored 'General case' 0 C--N 1.3 -1.565 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 596' ' ' LEU . . . . . 0.594 ' H ' HD12 ' B' ' 596' ' ' LEU . 0.0 OUTLIER -128.93 146.67 50.89 Favored 'General case' 0 N--CA 1.505 2.279 0 O-C-N 121.343 -0.848 . . . . 0.0 108.85 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 597' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -86.67 -164.99 1.15 Allowed 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.259 -0.9 . . . . 0.0 109.858 -179.405 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 598' ' ' CYS . . . . . 0.493 ' O ' ' N ' ' B' ' 600' ' ' GLU . 5.2 p -67.93 -88.38 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.3 -0.875 . . . . 0.0 111.142 -178.436 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 599' ' ' SER . . . . . 0.498 ' OG ' ' SG ' ' A' ' 303' ' ' CYS . 1.4 m -44.69 -21.35 0.05 Allowed 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.042 -1.036 . . . . 0.0 109.206 -179.432 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 600' ' ' GLU . . . . . 0.493 ' N ' ' O ' ' B' ' 598' ' ' CYS . 5.0 tp10 -46.63 -39.92 12.12 Favored 'General case' 0 C--N 1.299 -1.605 0 CA-C-O 122.332 1.063 . . . . 0.0 108.633 179.354 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 601' ' ' ILE . . . . . 0.558 ' O ' ' N ' ' B' ' 604' ' ' ARG . 1.4 mp -69.89 -32.0 50.14 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.065 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 -178.54 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 602' ' ' TRP . . . . . 0.461 ' N ' ' O ' ' B' ' 599' ' ' SER . 17.7 t-105 -45.23 -38.15 5.22 Favored 'General case' 0 N--CA 1.493 1.698 0 N-CA-C 107.452 -1.314 . . . . 0.0 107.452 179.399 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 603' ' ' ASP . . . . . 0.432 ' O ' ' OG1' ' B' ' 606' ' ' THR . 39.9 t0 -68.07 -43.22 79.06 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 107.637 -1.246 . . . . 0.0 107.637 177.394 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 604' ' ' ARG . . . . . 0.558 ' N ' ' O ' ' B' ' 601' ' ' ILE . 25.4 mmt180 -55.4 -31.41 61.81 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.115 -0.991 . . . . 0.0 108.676 178.651 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 605' ' ' ILE . . . . . 0.401 ' O ' ' C ' ' B' ' 606' ' ' THR . 51.9 mt -80.76 -45.83 21.29 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.93 0 O-C-N 121.532 -0.73 . . . . 0.0 110.416 179.642 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 606' ' ' THR . . . . . 0.432 ' OG1' ' O ' ' B' ' 603' ' ' ASP . 16.4 p -42.89 -36.9 1.66 Allowed 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.28 -0.887 . . . . 0.0 110.189 -179.032 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 607' ' ' THR . . . . . . . . . . . . . 68.8 p -47.04 -48.94 22.03 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.212 -0.93 . . . . 0.0 109.76 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 608' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -67.38 147.72 98.81 Favored Pre-proline 0 N--CA 1.491 1.624 0 O-C-N 121.174 -0.954 . . . . 0.0 109.038 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 609' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_endo -62.09 -50.86 4.28 Favored 'Trans proline' 0 C--N 1.325 -0.688 0 C-N-CA 120.984 1.123 . . . . 0.0 109.851 179.656 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 610' ' ' LYS . . . . . 0.472 ' CB ' ' NZ ' ' B' ' 610' ' ' LYS . 6.1 ttpm? -142.96 119.74 11.2 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.253 -0.905 . . . . 0.0 109.447 -179.754 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 611' ' ' TYR . . . . . 0.524 ' CD2' ' O ' ' B' ' 611' ' ' TYR . 20.7 p90 -101.25 105.86 17.01 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.429 -0.795 . . . . 0.0 109.745 -179.766 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 612' ' ' SER . . . . . . . . . . . . . 95.4 p -136.43 -59.61 0.72 Allowed 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.333 -0.854 . . . . 0.0 110.098 -179.694 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 613' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -74.61 65.06 1.26 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.083 -1.011 . . . . 0.0 110.19 -179.343 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 614' ' ' ILE . . . . . . . . . . . . . 5.0 mt -144.6 2.77 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.932 0 O-C-N 121.131 -0.981 . . . . 0.0 109.295 179.636 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 615' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 57.59 90.64 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.915 -1.116 . . . . 0.0 109.071 -179.543 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 616' ' ' VAL . . . . . . . . . . . . . 47.0 t -78.36 -16.74 13.77 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 CA-C-O 121.755 0.788 . . . . 0.0 108.94 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 617' ' ' ASP . . . . . 0.415 ' O ' ' SG ' ' B' ' 620' ' ' CYS . 1.4 m-20 -74.61 -32.72 62.42 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.427 -0.795 . . . . 0.0 109.301 179.516 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 618' ' ' GLY . . . . . 0.423 ' O ' ' OE1' ' B' ' 622' ' ' GLU . . . -68.68 -34.52 78.46 Favored Glycine 0 N--CA 1.49 2.233 0 N-CA-C 109.672 -1.371 . . . . 0.0 109.672 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 619' ' ' LEU . . . . . 0.483 HD13 HD21 ' B' ' 645' ' ' LEU . 1.9 mt -68.17 -28.98 67.75 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.025 -1.28 . . . . 0.0 108.547 179.796 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 620' ' ' CYS . . . . . 0.581 ' SG ' ' N ' ' B' ' 621' ' ' SER . 1.5 p -65.99 -47.56 74.14 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.236 -0.915 . . . . 0.0 110.479 -179.65 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 621' ' ' SER . . . . . 0.581 ' N ' ' SG ' ' B' ' 620' ' ' CYS . 34.9 t -83.01 -2.12 54.43 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 120.489 -1.382 . . . . 0.0 110.423 -179.344 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 622' ' ' GLU . . . . . 0.492 ' OE2' ' CE1' ' B' ' 648' ' ' HIS . 34.0 mt-10 -99.78 -43.99 6.24 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.007 -1.058 . . . . 0.0 109.135 177.718 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 623' ' ' LEU . . . . . 0.402 HD12 ' N ' ' B' ' 623' ' ' LEU . 8.3 mp -86.43 -20.76 27.7 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 120.994 -1.066 . . . . 0.0 110.277 -179.719 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 624' ' ' MET . . . . . . . . . . . . . 10.3 ttt -72.33 -28.76 63.26 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 120.845 -1.159 . . . . 0.0 111.818 -178.153 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 625' ' ' ALA . . . . . . . . . . . . . . . -105.32 -4.74 21.19 Favored 'General case' 0 N--CA 1.505 2.322 0 O-C-N 120.694 -1.254 . . . . 0.0 109.632 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 626' ' ' LYS . . . . . . . . . . . . . 53.7 mmtt -91.29 -13.72 32.14 Favored 'General case' 0 N--CA 1.492 1.636 0 N-CA-C 106.336 -1.727 . . . . 0.0 106.336 176.358 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 627' ' ' ALA . . . . . . . . . . . . . . . -45.15 136.18 5.16 Favored 'General case' 0 N--CA 1.491 1.618 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.171 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 628' ' ' LYS . . . . . . . . . . . . . 5.2 mtpm? -113.52 92.05 3.86 Favored 'General case' 0 N--CA 1.498 1.968 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 178.362 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 629' ' ' CYS . . . . . . . . . . . . . 81.6 m -53.53 119.41 4.83 Favored 'General case' 0 N--CA 1.493 1.694 0 CA-C-O 122.459 1.123 . . . . 0.0 111.829 -177.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 630' ' ' SER . . . . . . . . . . . . . 48.2 t -142.88 160.06 41.05 Favored 'General case' 0 N--CA 1.493 1.72 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 178.316 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 631' ' ' GLU . . . . . 0.506 ' C ' ' H ' ' B' ' 633' ' ' GLY . 40.8 mt-10 -64.28 -22.46 66.96 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.34 -1.475 . . . . 0.0 109.365 -179.686 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 632' ' ' ARG . . . . . 0.542 HH11 ' CG ' ' B' ' 632' ' ' ARG . 0.3 OUTLIER -79.47 33.68 0.25 Allowed 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 107.572 -1.27 . . . . 0.0 107.572 178.125 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 633' ' ' GLY . . . . . 0.506 ' H ' ' C ' ' B' ' 631' ' ' GLU . . . 73.1 -170.67 51.82 Favored Glycine 0 N--CA 1.49 2.285 0 N-CA-C 107.531 -2.227 . . . . 0.0 107.531 -178.489 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 634' ' ' VAL . . . . . . . . . . . . . 7.1 p -77.32 141.16 15.96 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.43 0 O-C-N 120.423 -1.634 . . . . 0.0 109.631 179.613 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 33.6 m -135.87 140.34 44.36 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.965 0 O-C-N 121.23 -0.919 . . . . 0.0 109.24 179.116 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 636' ' ' ILE . . . . . 0.54 ' O ' HD12 ' B' ' 596' ' ' LEU . 95.8 mt -133.75 154.67 38.86 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.893 0 O-C-N 121.439 -0.788 . . . . 0.0 109.209 -179.383 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 637' ' ' ASN . . . . . 0.522 ' O ' ' N ' ' B' ' 639' ' ' GLU . 9.8 p30 -85.84 129.47 34.82 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.095 -1.003 . . . . 0.0 109.819 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -46.83 -10.64 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.759 -0.588 . . . . 0.0 110.827 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 639' ' ' GLU . . . . . 0.522 ' N ' ' O ' ' B' ' 637' ' ' ASN . 34.3 tt0 -78.27 -18.54 55.16 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.887 -1.133 . . . . 0.0 110.089 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 640' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -86.54 -50.92 6.49 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 120.359 -1.463 . . . . 0.0 108.724 178.066 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 641' ' ' VAL . . . . . 0.413 ' H ' HG12 ' B' ' 641' ' ' VAL . 0.8 OUTLIER -60.82 -46.66 95.81 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 120.851 -1.156 . . . . 0.0 108.578 178.671 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 642' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -57.98 -36.41 72.58 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.0 -1.063 . . . . 0.0 109.52 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 643' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -83.5 -20.3 34.21 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.17 -0.957 . . . . 0.0 108.65 178.69 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 644' ' ' ALA . . . . . . . . . . . . . . . -87.54 -33.14 19.04 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.905 -1.122 . . . . 0.0 108.913 178.385 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 645' ' ' LEU . . . . . 0.534 ' O ' ' N ' ' B' ' 647' ' ' LYS . 34.7 mt -84.72 -69.54 0.64 Allowed 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.156 -0.965 . . . . 0.0 109.185 179.317 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 646' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -45.9 -14.23 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.215 -0.928 . . . . 0.0 110.367 -179.182 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 647' ' ' LYS . . . . . 0.534 ' N ' ' O ' ' B' ' 645' ' ' LEU . 79.0 tttt -97.4 -9.82 26.64 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.003 -1.061 . . . . 0.0 109.709 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 648' ' ' HIS . . . . . 0.492 ' CE1' ' OE2' ' B' ' 622' ' ' GLU . 0.3 OUTLIER -111.25 12.77 21.74 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.422 -0.799 . . . . 0.0 109.49 -179.888 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 649' ' ' MET . . . . . . . . . . . . . 36.9 tpp -96.92 133.57 41.38 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.189 -0.945 . . . . 0.0 109.447 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 650' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 . . . . . 0 N--CA 1.49 1.555 0 CA-C-O 118.057 -0.973 . . . . 0.0 109.47 179.968 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 279' ' ' ASN . . . . . . . . . . . . . 70.6 m-20 . . . . . 0 N--CA 1.49 1.559 0 CA-C-O 121.302 0.573 . . . . 0.0 109.471 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 280' ' ' LEU . . . . . 0.565 HD12 ' N ' ' A' ' 280' ' ' LEU . 8.4 mp -64.18 87.33 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.2 -0.937 . . . . 0.0 109.23 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 281' ' ' ASP . . . . . 0.456 ' OD2' ' N ' ' A' ' 282' ' ' SER . 5.6 p-10 -171.41 -117.0 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.262 -0.899 . . . . 0.0 109.504 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 282' ' ' SER . . . . . 0.456 ' N ' ' OD2' ' A' ' 281' ' ' ASP . 5.1 p 61.73 149.33 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.354 -0.841 . . . . 0.0 109.447 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 283' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 -66.24 103.96 1.1 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.282 -0.886 . . . . 0.0 109.429 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 284' ' ' MET . . . . . . . . . . . . . 28.1 ttt -70.13 -73.38 0.17 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.289 -0.882 . . . . 0.0 109.408 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 285' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -69.67 120.26 15.17 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.209 -0.932 . . . . 0.0 109.364 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 286' ' ' SER . . . . . . . . . . . . . 48.8 m -68.47 132.57 47.21 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.197 -0.94 . . . . 0.0 109.423 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 287' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -64.57 128.81 37.38 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.314 -0.866 . . . . 0.0 109.459 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 288' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -169.71 -53.49 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.234 -0.916 . . . . 0.0 109.399 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 289' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -169.32 79.23 0.12 Allowed 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.236 -0.915 . . . . 0.0 109.438 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 290' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -73.71 -123.18 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.256 -0.903 . . . . 0.0 109.309 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 291' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 51.43 33.45 10.22 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.168 -0.958 . . . . 0.0 109.559 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 292' ' ' GLU . . . . . 0.431 ' O ' ' O ' ' A' ' 293' ' ' ASN . 4.6 tm-20 -169.9 -35.96 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.223 -0.923 . . . . 0.0 109.203 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 293' ' ' ASN . . . . . 0.431 ' O ' ' O ' ' A' ' 292' ' ' GLU . 4.8 m-20 59.89 117.04 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.408 -0.807 . . . . 0.0 109.627 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 294' ' ' GLN . . . . . 0.525 ' NE2' ' O ' ' A' ' 295' ' ' PHE . 0.1 OUTLIER -166.72 134.81 2.7 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.265 -0.897 . . . . 0.0 109.29 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 295' ' ' PHE . . . . . 0.525 ' O ' ' NE2' ' A' ' 294' ' ' GLN . 52.0 t80 -48.28 135.32 13.71 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.242 -0.911 . . . . 0.0 109.647 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 296' ' ' ASP . . . . . 0.418 ' OD2' ' O ' ' A' ' 294' ' ' GLN . 37.6 m-20 -158.97 -89.98 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.124 -0.985 . . . . 0.0 109.498 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 297' ' ' GLU . . . . . 0.401 ' O ' ' O ' ' A' ' 296' ' ' ASP . 34.4 mt-10 55.32 171.68 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.261 -0.899 . . . . 0.0 109.563 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 298' ' ' GLN . . . . . 0.595 ' H ' ' CD ' ' A' ' 298' ' ' GLN . 0.1 OUTLIER -104.91 -7.29 19.43 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.476 -0.765 . . . . 0.0 109.453 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 299' ' ' VAL . . . . . 0.637 ' O ' HG22 ' A' ' 299' ' ' VAL . 2.0 p -85.04 68.79 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 CA-C-O 122.007 0.908 . . . . 0.0 109.042 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 300' ' ' SER . . . . . 0.532 ' O ' ' N ' ' A' ' 304' ' ' SER . 6.4 t -136.66 -127.37 0.14 Allowed 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.642 -0.661 . . . . 0.0 109.962 -178.231 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 301' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -45.34 -31.79 1.77 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.426 -0.796 . . . . 0.0 109.317 179.405 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 302' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -65.02 -58.73 5.34 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.279 -0.888 . . . . 0.0 109.512 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 303' ' ' CYS . . . . . . . . . . . . . 60.9 m -84.75 -42.87 14.79 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.348 -0.845 . . . . 0.0 110.396 -179.49 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 304' ' ' SER . . . . . 0.532 ' N ' ' O ' ' A' ' 300' ' ' SER . 40.2 t -54.2 -25.13 21.19 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.22 -0.925 . . . . 0.0 110.0 -179.413 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . 9.7 tmtt? -97.09 -22.18 16.93 Favored 'General case' 0 N--CA 1.5 2.068 0 N-CA-C 107.046 -1.464 . . . . 0.0 107.046 178.22 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 306' ' ' MET . . . . . 0.516 ' O ' HG22 ' A' ' 309' ' ' VAL . 15.3 ttt -70.45 -19.61 62.95 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 106.941 -1.503 . . . . 0.0 106.941 176.398 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 307' ' ' ASN . . . . . 0.437 ' O ' ' C ' ' A' ' 308' ' ' GLN . 87.9 m-20 -82.96 -38.29 22.94 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 106.076 -1.824 . . . . 0.0 106.076 178.339 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 308' ' ' GLN . . . . . 0.534 ' O ' ' N ' ' A' ' 310' ' ' CYS . 6.5 tp-100 -36.99 -41.41 0.34 Allowed 'General case' 0 N--CA 1.507 2.415 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 178.605 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 309' ' ' VAL . . . . . 0.516 HG22 ' O ' ' A' ' 306' ' ' MET . 10.3 m -43.03 -20.36 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.501 2.122 0 CA-C-O 122.055 0.931 . . . . 0.0 109.104 178.656 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 310' ' ' CYS . . . . . 0.534 ' N ' ' O ' ' A' ' 308' ' ' GLN . 67.9 m -102.02 -31.67 10.54 Favored 'General case' 0 N--CA 1.488 1.466 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.564 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 311' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 308' ' ' GLN . . . -74.5 117.46 5.51 Favored Glycine 0 N--CA 1.492 2.394 0 N-CA-C 109.695 -1.362 . . . . 0.0 109.695 -179.816 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 312' ' ' THR . . . . . . . . . . . . . 76.9 p -96.9 121.02 38.31 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.275 -1.132 . . . . 0.0 109.343 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 313' ' ' ARG . . . . . 0.584 ' CG ' HH11 ' A' ' 313' ' ' ARG . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.611 0 CA-C-O 117.97 -1.014 . . . . 0.0 109.476 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 565' ' ' ASN . . . . . 0.467 ' O ' ' N ' ' B' ' 567' ' ' SER . 35.2 m120 . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 566' ' ' GLY . . . . . . . . . . . . . . . -69.84 45.54 0.55 Allowed Glycine 0 N--CA 1.49 2.264 0 N-CA-C 109.546 -1.421 . . . . 0.0 109.546 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 567' ' ' SER . . . . . 0.467 ' N ' ' O ' ' B' ' 565' ' ' ASN . 52.5 m -64.26 -49.28 72.5 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.255 -1.144 . . . . 0.0 109.507 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 568' ' ' SER . . . . . 0.403 ' O ' ' N ' ' B' ' 570' ' ' GLN . 89.9 p -63.6 -59.07 5.09 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.265 -0.897 . . . . 0.0 109.472 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 569' ' ' LEU . . . . . . . . . . . . . 10.8 tp -69.84 59.42 0.15 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.209 -0.932 . . . . 0.0 109.339 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 570' ' ' GLN . . . . . 0.403 ' N ' ' O ' ' B' ' 568' ' ' SER . 48.7 tt0 -61.76 134.57 56.91 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.222 -0.924 . . . . 0.0 109.485 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 571' ' ' ASN . . . . . . . . . . . . . 15.2 p-10 -68.45 73.91 0.24 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.215 -0.928 . . . . 0.0 109.49 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -169.51 93.9 0.27 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.246 -0.909 . . . . 0.0 109.475 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 573' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -66.28 -9.97 37.85 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.262 -0.899 . . . . 0.0 109.497 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 574' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -70.45 130.6 42.32 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.29 -0.881 . . . . 0.0 109.488 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 575' ' ' ILE . . . . . . . . . . . . . 7.3 tp -61.54 153.46 5.59 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.333 -0.855 . . . . 0.0 109.225 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 576' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 -147.94 144.75 28.25 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.242 -0.911 . . . . 0.0 109.371 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 577' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -67.87 -10.86 56.57 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.282 -0.886 . . . . 0.0 109.555 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 578' ' ' GLY . . . . . . . . . . . . . . . 73.39 -85.53 0.61 Allowed Glycine 0 N--CA 1.49 2.252 0 N-CA-C 109.505 -1.438 . . . . 0.0 109.505 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 579' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -168.36 -43.92 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.254 -1.145 . . . . 0.0 109.53 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 580' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -167.28 111.03 0.69 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.306 -0.871 . . . . 0.0 109.5 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 581' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -172.67 58.97 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.26 -0.9 . . . . 0.0 109.466 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 582' ' ' ASP . . . . . 0.501 ' OD1' ' ND2' ' B' ' 585' ' ' ASN . 3.7 p30 -171.71 145.21 1.94 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.159 -0.963 . . . . 0.0 109.556 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 583' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -65.58 -120.62 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.205 -0.935 . . . . 0.0 109.375 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 584' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.7 122.12 13.34 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.227 -0.921 . . . . 0.0 109.486 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 585' ' ' ASN . . . . . 0.501 ' ND2' ' OD1' ' B' ' 582' ' ' ASP . 11.4 m120 -64.29 143.4 57.92 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.243 -0.911 . . . . 0.0 109.495 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 586' ' ' ASP . . . . . 0.427 ' O ' ' O ' ' B' ' 585' ' ' ASN . 47.8 m-20 -60.41 -152.06 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.32 -0.863 . . . . 0.0 109.433 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 587' ' ' VAL . . . . . . . . . . . . . 1.7 m -133.37 112.04 17.02 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.878 0 O-C-N 121.498 -0.751 . . . . 0.0 109.207 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 588' ' ' VAL . . . . . 0.652 ' N ' ' CD ' ' B' ' 589' ' ' PRO . 2.3 t -91.77 -34.46 0.35 Allowed Pre-proline 0 N--CA 1.494 1.727 0 O-C-N 121.327 -0.858 . . . . 0.0 111.742 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 589' ' ' PRO . . . . . 0.652 ' CD ' ' N ' ' B' ' 588' ' ' VAL . 3.7 Cg_exo -66.73 119.46 6.49 Favored 'Trans proline' 0 C--N 1.326 -0.641 0 C-N-CA 120.612 0.874 . . . . 0.0 109.898 -178.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 590' ' ' SER . . . . . . . . . . . . . 91.6 p -162.01 112.03 1.55 Allowed 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.347 -0.845 . . . . 0.0 109.199 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 591' ' ' LYS . . . . . . . . . . . . . 19.7 tptm -163.1 148.21 11.55 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.21 -0.931 . . . . 0.0 109.14 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -52.0 131.18 31.29 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.195 -0.941 . . . . 0.0 109.106 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 593' ' ' GLY . . . . . . . . . . . . . . . -155.99 110.09 0.43 Allowed Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.192 -1.563 . . . . 0.0 109.192 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 594' ' ' SER . . . . . 0.414 ' C ' HD22 ' B' ' 595' ' ' LEU . 60.6 m -81.16 166.61 20.5 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.194 -1.18 . . . . 0.0 110.162 -179.773 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 595' ' ' LEU . . . . . 0.64 HD22 ' N ' ' B' ' 595' ' ' LEU . 3.6 mm? -94.2 125.53 38.9 Favored 'General case' 0 C--N 1.3 -1.581 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 179.591 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 596' ' ' LEU . . . . . . . . . . . . . 1.2 mp -128.27 154.33 46.01 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.295 -0.878 . . . . 0.0 109.623 -179.551 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 597' ' ' ARG . . . . . . . . . . . . . 86.3 mtt180 -102.14 -143.99 0.35 Allowed 'General case' 0 N--CA 1.501 2.105 0 O-C-N 121.473 -0.767 . . . . 0.0 111.42 -178.103 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 598' ' ' CYS . . . . . 0.593 ' SG ' ' N ' ' B' ' 599' ' ' SER . 12.5 t -75.98 -100.21 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.615 -0.678 . . . . 0.0 111.217 -178.217 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 599' ' ' SER . . . . . 0.593 ' N ' ' SG ' ' B' ' 598' ' ' CYS . 91.0 p -44.3 -19.89 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.951 0 CA-C-O 122.149 0.976 . . . . 0.0 109.377 -179.045 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 600' ' ' GLU . . . . . 0.517 ' N ' ' O ' ' B' ' 598' ' ' CYS . 11.9 tp10 -47.31 -40.28 16.65 Favored 'General case' 0 C--N 1.3 -1.557 0 CA-C-O 122.668 1.223 . . . . 0.0 108.392 178.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 601' ' ' ILE . . . . . 0.576 ' O ' ' N ' ' B' ' 604' ' ' ARG . 1.4 mp -68.87 -31.72 51.77 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.077 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -178.804 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 602' ' ' TRP . . . . . 0.464 ' N ' ' O ' ' B' ' 599' ' ' SER . 59.1 t-105 -45.37 -39.95 7.41 Favored 'General case' 0 N--CA 1.494 1.738 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 179.519 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 603' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -65.13 -42.6 93.73 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 107.432 -1.322 . . . . 0.0 107.432 177.351 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 604' ' ' ARG . . . . . 0.576 ' N ' ' O ' ' B' ' 601' ' ' ILE . 0.2 OUTLIER -56.24 -43.9 79.1 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.23 -0.918 . . . . 0.0 109.183 178.65 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 605' ' ' ILE . . . . . . . . . . . . . 19.8 mm -58.66 -47.17 89.61 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.922 0 O-C-N 121.431 -0.793 . . . . 0.0 110.246 179.259 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 606' ' ' THR . . . . . . . . . . . . . 68.7 p -54.63 -48.57 72.09 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.747 -1.221 . . . . 0.0 110.394 -179.13 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 607' ' ' THR . . . . . . . . . . . . . 44.5 p -69.72 8.39 0.69 Allowed 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.03 -1.044 . . . . 0.0 110.567 -179.189 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 608' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -118.07 88.3 31.38 Favored Pre-proline 0 N--CA 1.501 2.084 0 O-C-N 121.292 -0.88 . . . . 0.0 110.028 -179.586 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 609' ' ' PRO . . . . . . . . . . . . . 8.3 Cg_exo -56.79 153.3 37.66 Favored 'Trans proline' 0 C--N 1.321 -0.894 0 C-N-CA 121.318 1.345 . . . . 0.0 109.917 179.438 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 610' ' ' LYS . . . . . . . . . . . . . 29.5 mmtp 55.76 54.1 8.63 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.413 -0.804 . . . . 0.0 109.367 -179.488 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 611' ' ' TYR . . . . . . . . . . . . . 54.6 p90 -92.82 12.22 24.35 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.289 -0.882 . . . . 0.0 109.7 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 612' ' ' SER . . . . . 0.554 ' C ' ' H ' ' B' ' 614' ' ' ILE . 40.5 t -79.4 -39.29 32.82 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.056 -1.027 . . . . 0.0 109.622 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 613' ' ' ASP . . . . . . . . . . . . . 45.9 m-20 -59.49 8.87 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.182 -0.948 . . . . 0.0 110.936 -179.529 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 614' ' ' ILE . . . . . 0.581 HG22 ' N ' ' B' ' 615' ' ' ASP . 89.3 mt -104.55 167.77 2.7 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.889 0 O-C-N 120.887 -1.133 . . . . 0.0 109.252 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 615' ' ' ASP . . . . . 0.581 ' N ' HG22 ' B' ' 614' ' ' ILE . 65.1 m-20 -113.28 118.37 34.44 Favored 'General case' 0 N--CA 1.492 1.635 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 179.088 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 616' ' ' VAL . . . . . . . . . . . . . 79.4 t -76.18 -19.04 15.23 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.558 0 O-C-N 121.234 -0.916 . . . . 0.0 108.953 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 617' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.89 -41.05 23.69 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.324 -0.86 . . . . 0.0 110.072 -179.553 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 618' ' ' GLY . . . . . . . . . . . . . . . -69.24 -49.32 40.39 Favored Glycine 0 N--CA 1.489 2.215 0 N-CA-C 109.099 -1.601 . . . . 0.0 109.099 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 619' ' ' LEU . . . . . 0.686 ' C ' HD12 ' B' ' 619' ' ' LEU . 1.0 OUTLIER -64.36 -20.01 65.84 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.245 -1.15 . . . . 0.0 108.938 179.685 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 620' ' ' CYS . . . . . . . . . . . . . 10.2 t -72.69 -43.79 62.62 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.103 -0.998 . . . . 0.0 109.208 179.325 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 17.2 m -80.37 -0.34 36.51 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.016 -1.053 . . . . 0.0 108.661 179.144 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 622' ' ' GLU . . . . . . . . . . . . . 58.5 tt0 -97.52 -45.31 6.47 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.415 -0.803 . . . . 0.0 109.326 177.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 623' ' ' LEU . . . . . . . . . . . . . 9.6 mp -85.44 -27.92 25.41 Favored 'General case' 0 N--CA 1.501 2.08 0 O-C-N 120.614 -1.304 . . . . 0.0 109.858 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 624' ' ' MET . . . . . . . . . . . . . 23.7 ttm -64.09 -32.45 74.01 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.255 -0.903 . . . . 0.0 112.239 -177.756 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 625' ' ' ALA . . . . . . . . . . . . . . . -105.02 -5.87 20.54 Favored 'General case' 0 N--CA 1.507 2.382 0 O-C-N 120.818 -1.176 . . . . 0.0 110.001 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 626' ' ' LYS . . . . . . . . . . . . . 58.5 mmtt -88.67 -10.0 50.05 Favored 'General case' 0 N--CA 1.493 1.687 0 N-CA-C 106.041 -1.837 . . . . 0.0 106.041 176.175 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 627' ' ' ALA . . . . . . . . . . . . . . . -45.52 137.26 5.15 Favored 'General case' 0 N--CA 1.491 1.595 0 CA-C-N 115.246 -0.888 . . . . 0.0 111.435 -179.638 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 628' ' ' LYS . . . . . . . . . . . . . 27.7 mmtp -115.11 92.21 3.86 Favored 'General case' 0 N--CA 1.499 2.009 0 N-CA-C 107.915 -1.143 . . . . 0.0 107.915 178.411 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 629' ' ' CYS . . . . . . . . . . . . . 96.3 m -54.57 124.28 15.74 Favored 'General case' 0 N--CA 1.493 1.679 0 CA-C-O 122.491 1.139 . . . . 0.0 112.313 -177.647 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 630' ' ' SER . . . . . . . . . . . . . 43.4 t -143.04 159.24 42.63 Favored 'General case' 0 N--CA 1.491 1.61 0 N-CA-C 107.163 -1.421 . . . . 0.0 107.163 177.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 631' ' ' GLU . . . . . 0.619 ' H ' ' CD ' ' B' ' 631' ' ' GLU . 1.3 pm0 -63.27 -19.77 64.86 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.279 -1.513 . . . . 0.0 109.324 -179.576 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 90.9 mtt180 -81.63 33.86 0.37 Allowed 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 107.395 -1.335 . . . . 0.0 107.395 177.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 633' ' ' GLY . . . . . 0.477 ' H ' ' C ' ' B' ' 631' ' ' GLU . . . 73.65 -169.34 53.52 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 107.747 -2.141 . . . . 0.0 107.747 -178.448 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 634' ' ' VAL . . . . . . . . . . . . . 7.6 p -77.55 144.36 11.57 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.416 0 O-C-N 120.476 -1.602 . . . . 0.0 109.445 179.518 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 28.2 m -138.11 141.17 38.93 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.0 0 O-C-N 121.065 -1.022 . . . . 0.0 109.394 179.134 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 636' ' ' ILE . . . . . . . . . . . . . 88.4 mt -131.6 151.69 35.85 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.949 0 O-C-N 121.505 -0.747 . . . . 0.0 109.426 -179.525 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 637' ' ' ASN . . . . . 0.407 ' O ' ' N ' ' B' ' 639' ' ' GLU . 28.1 m-20 -86.39 133.23 33.8 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.214 -0.929 . . . . 0.0 109.455 179.794 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -48.92 -11.02 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.735 -0.603 . . . . 0.0 111.766 -179.14 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 639' ' ' GLU . . . . . 0.407 ' N ' ' O ' ' B' ' 637' ' ' ASN . 7.7 pt-20 -85.76 -21.81 28.02 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 120.543 -1.348 . . . . 0.0 111.338 -178.783 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 640' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -82.83 -38.82 22.52 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 120.228 -1.545 . . . . 0.0 108.051 178.56 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 641' ' ' VAL . . . . . 0.601 HG13 ' N ' ' B' ' 642' ' ' GLN . 7.0 p -71.91 -51.52 30.81 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.633 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 177.65 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 642' ' ' GLN . . . . . 0.601 ' N ' HG13 ' B' ' 641' ' ' VAL . 67.1 tp60 -48.73 -31.76 7.41 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.735 -1.228 . . . . 0.0 108.837 179.748 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 643' ' ' LEU . . . . . . . . . . . . . 68.8 mt -84.17 -17.71 39.06 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.081 -1.012 . . . . 0.0 108.872 177.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 644' ' ' ALA . . . . . 0.536 ' N ' ' O ' ' B' ' 641' ' ' VAL . . . -87.91 -32.77 18.77 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 120.828 -1.17 . . . . 0.0 109.351 178.536 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 645' ' ' LEU . . . . . . . . . . . . . 64.2 mt -87.24 -24.57 24.34 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.163 -0.96 . . . . 0.0 110.001 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 646' ' ' ASN . . . . . . . . . . . . . 37.9 t30 -91.23 -12.67 34.57 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 120.886 -1.133 . . . . 0.0 110.313 -179.548 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 647' ' ' LYS . . . . . . . . . . . . . 39.5 mttp -89.43 -4.79 57.86 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 120.877 -1.139 . . . . 0.0 109.248 179.629 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 648' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -112.84 18.97 17.77 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.442 -0.786 . . . . 0.0 109.58 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 649' ' ' MET . . . . . . . . . . . . . 44.2 mtt -96.29 122.74 39.49 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.143 -0.973 . . . . 0.0 109.345 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 650' ' ' ASN . . . . . . . . . . . . . 40.4 t30 . . . . . 0 N--CA 1.49 1.546 0 CA-C-O 118.002 -0.999 . . . . 0.0 109.464 -179.966 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 279' ' ' ASN . . . . . . . . . . . . . 6.1 m120 . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . 16.1 mt -69.21 128.54 36.98 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.248 -0.908 . . . . 0.0 109.445 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 281' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -167.2 46.63 0.06 Allowed 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.25 -0.906 . . . . 0.0 109.419 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 282' ' ' SER . . . . . 0.495 ' OG ' ' SD ' ' A' ' 284' ' ' MET . 9.5 t -167.8 -171.75 1.68 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.276 -0.89 . . . . 0.0 109.433 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 283' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -171.32 69.79 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.196 -0.94 . . . . 0.0 109.599 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 284' ' ' MET . . . . . 0.592 ' N ' ' SD ' ' A' ' 284' ' ' MET . 0.0 OUTLIER -75.89 169.76 17.53 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.215 -0.928 . . . . 0.0 109.122 179.904 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 285' ' ' PHE . . . . . 0.432 ' O ' ' O ' ' A' ' 286' ' ' SER . 22.8 m-85 -64.72 -144.27 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.224 -0.923 . . . . 0.0 109.462 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 286' ' ' SER . . . . . 0.432 ' O ' ' O ' ' A' ' 285' ' ' PHE . 2.1 m 60.22 151.21 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.284 -0.885 . . . . 0.0 109.671 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 287' ' ' ASN . . . . . 0.428 HD21 ' N ' ' A' ' 290' ' ' ASN . 3.0 t-20 -74.06 124.52 26.43 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.206 -0.934 . . . . 0.0 109.209 179.785 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 288' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -77.83 -21.06 52.04 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.247 -0.908 . . . . 0.0 109.241 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 289' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -166.83 -60.62 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.295 -0.878 . . . . 0.0 109.567 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 290' ' ' ASN . . . . . 0.428 ' N ' HD21 ' A' ' 287' ' ' ASN . 50.2 t30 -168.3 -15.45 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.211 -0.93 . . . . 0.0 109.574 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 291' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -74.44 53.34 0.53 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.255 -0.903 . . . . 0.0 109.327 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 292' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -165.78 94.8 0.6 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.249 -0.907 . . . . 0.0 109.537 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 293' ' ' ASN . . . . . 0.404 ' OD1' ' N ' ' A' ' 293' ' ' ASN . 32.0 p-10 -67.94 77.06 0.22 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.278 -0.889 . . . . 0.0 109.543 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 294' ' ' GLN . . . . . 0.526 ' O ' ' N ' ' A' ' 296' ' ' ASP . 16.7 tt0 -171.88 -5.56 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.35 -0.844 . . . . 0.0 108.82 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 295' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 57.87 -77.89 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.622 -0.674 . . . . 0.0 109.856 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 296' ' ' ASP . . . . . 0.526 ' N ' ' O ' ' A' ' 294' ' ' GLN . 12.8 p-10 -163.73 101.37 0.91 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.713 -1.242 . . . . 0.0 110.853 -179.674 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 297' ' ' GLU . . . . . 0.462 ' C ' ' H ' ' A' ' 299' ' ' VAL . 39.5 tt0 -93.89 -71.18 0.67 Allowed 'General case' 0 N--CA 1.495 1.804 0 N-CA-C 108.122 -1.066 . . . . 0.0 108.122 178.583 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 298' ' ' GLN . . . . . 0.425 ' O ' ' O ' ' A' ' 299' ' ' VAL . 1.1 tm0? 64.02 -6.39 0.26 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.523 -0.736 . . . . 0.0 110.356 178.65 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 299' ' ' VAL . . . . . 0.462 ' H ' ' C ' ' A' ' 297' ' ' GLU . 8.0 t 60.55 109.44 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.078 -1.014 . . . . 0.0 108.556 -179.374 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 300' ' ' SER . . . . . 0.484 ' O ' ' N ' ' A' ' 302' ' ' PHE . 23.2 t -134.36 -115.1 0.2 Allowed 'General case' 0 N--CA 1.5 2.028 0 O-C-N 121.616 -0.678 . . . . 0.0 110.821 -177.82 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 301' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 300' ' ' SER . 12.8 pt-20 -42.06 -25.22 0.06 Allowed 'General case' 0 N--CA 1.487 1.414 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 179.613 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 302' ' ' PHE . . . . . 0.484 ' N ' ' O ' ' A' ' 300' ' ' SER . 67.9 t80 -63.03 -66.13 0.59 Allowed 'General case' 0 C--N 1.302 -1.467 0 C-N-CA 119.711 -0.796 . . . . 0.0 109.1 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 303' ' ' CYS . . . . . . . . . . . . . 16.5 t -83.4 -46.09 12.93 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.331 -0.856 . . . . 0.0 109.855 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 49.2 m -48.66 -26.59 2.36 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.355 -0.841 . . . . 0.0 110.17 -179.463 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . 58.3 tttm -102.26 -14.91 16.79 Favored 'General case' 0 N--CA 1.502 2.131 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 178.275 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 306' ' ' MET . . . . . . . . . . . . . 2.4 tpp -71.59 -25.74 62.31 Favored 'General case' 0 C--N 1.301 -1.537 0 N-CA-C 107.579 -1.267 . . . . 0.0 107.579 176.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 307' ' ' ASN . . . . . 0.433 ' O ' ' C ' ' A' ' 308' ' ' GLN . 88.7 m-20 -87.21 -39.28 15.6 Favored 'General case' 0 N--CA 1.494 1.734 0 N-CA-C 106.679 -1.6 . . . . 0.0 106.679 178.843 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 308' ' ' GLN . . . . . 0.542 ' O ' ' N ' ' A' ' 310' ' ' CYS . 8.5 tp-100 -36.27 -39.3 0.18 Allowed 'General case' 0 N--CA 1.505 2.277 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.486 178.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 309' ' ' VAL . . . . . 0.418 ' CG2' ' SD ' ' B' ' 624' ' ' MET . 38.6 t -46.85 -13.01 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.891 0 C-N-CA 119.905 -0.718 . . . . 0.0 109.644 179.46 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 310' ' ' CYS . . . . . 0.542 ' N ' ' O ' ' A' ' 308' ' ' GLN . 8.9 t -72.24 -47.95 46.48 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.391 -0.818 . . . . 0.0 109.541 179.343 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 311' ' ' GLY . . . . . . . . . . . . . . . -67.26 146.83 48.26 Favored Glycine 0 N--CA 1.492 2.396 0 N-CA-C 109.672 -1.371 . . . . 0.0 109.672 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 312' ' ' THR . . . . . . . . . . . . . 51.3 m -129.92 126.75 38.64 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.61 -0.936 . . . . 0.0 109.269 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 313' ' ' ARG . . . . . 0.577 ' CG ' HH11 ' A' ' 313' ' ' ARG . 3.7 mtt-85 . . . . . 0 N--CA 1.491 1.585 0 CA-C-O 117.985 -1.007 . . . . 0.0 109.515 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 565' ' ' ASN . . . . . 0.423 ' OD1' ' N ' ' B' ' 566' ' ' GLY . 62.3 t-20 . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 566' ' ' GLY . . . . . 0.423 ' N ' ' OD1' ' B' ' 565' ' ' ASN . . . 170.74 57.04 0.04 OUTLIER Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.419 -1.472 . . . . 0.0 109.419 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 567' ' ' SER . . . . . . . . . . . . . 41.6 t -62.72 114.94 3.9 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.218 -1.166 . . . . 0.0 109.333 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 568' ' ' SER . . . . . . . . . . . . . 38.7 t -170.41 -23.04 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.215 -0.928 . . . . 0.0 109.492 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 569' ' ' LEU . . . . . 0.586 ' N ' HD12 ' B' ' 569' ' ' LEU . 8.7 mp -63.19 161.27 13.9 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.225 -0.922 . . . . 0.0 109.263 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 570' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 52.17 79.48 0.11 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.285 -0.885 . . . . 0.0 109.448 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 571' ' ' ASN . . . . . . . . . . . . . 64.6 m-20 -60.24 147.53 39.79 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.209 -0.932 . . . . 0.0 109.46 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 572' ' ' ALA . . . . . 0.49 ' O ' ' N ' ' B' ' 574' ' ' LYS . . . -168.56 -19.02 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.174 -0.954 . . . . 0.0 109.459 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 573' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -67.23 67.44 0.07 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.268 -0.895 . . . . 0.0 109.498 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 574' ' ' LYS . . . . . 0.49 ' N ' ' O ' ' B' ' 572' ' ' ALA . 17.1 ttmm -58.51 105.91 0.34 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.272 -0.892 . . . . 0.0 109.455 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 575' ' ' ILE . . . . . . . . . . . . . 73.2 mt -63.38 110.79 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.331 -0.856 . . . . 0.0 109.543 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 576' ' ' ASN . . . . . . . . . . . . . 71.9 m-80 -70.97 125.78 27.78 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.296 -0.877 . . . . 0.0 109.433 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 577' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -62.35 146.38 51.34 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.291 -0.881 . . . . 0.0 109.542 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 578' ' ' GLY . . . . . . . . . . . . . . . 179.93 168.97 39.5 Favored Glycine 0 N--CA 1.491 2.313 0 N-CA-C 109.56 -1.416 . . . . 0.0 109.56 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 579' ' ' ASN . . . . . 0.482 ' O ' ' N ' ' B' ' 581' ' ' ASN . 50.2 t30 -64.04 160.59 17.71 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.221 -1.164 . . . . 0.0 109.473 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 580' ' ' ASP . . . . . 0.48 ' OD1' ' ND2' ' B' ' 579' ' ' ASN . 2.8 m-20 50.71 -93.12 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.291 -0.88 . . . . 0.0 109.411 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 581' ' ' ASN . . . . . 0.482 ' N ' ' O ' ' B' ' 579' ' ' ASN . 22.2 t-20 -168.27 -12.1 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.168 -0.957 . . . . 0.0 109.474 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 582' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -170.67 139.31 1.54 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.224 -0.923 . . . . 0.0 109.423 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 583' ' ' ASN . . . . . 0.443 ' C ' ' H ' ' B' ' 585' ' ' ASN . 3.6 p-10 -170.27 -14.18 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.268 -0.895 . . . . 0.0 109.453 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 584' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -72.59 13.45 0.35 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.301 -0.874 . . . . 0.0 109.438 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 585' ' ' ASN . . . . . 0.443 ' H ' ' C ' ' B' ' 583' ' ' ASN . 20.6 m120 -66.1 -163.67 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.273 -0.892 . . . . 0.0 109.434 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 586' ' ' ASP . . . . . 0.421 ' O ' ' O ' ' B' ' 585' ' ' ASN . 3.1 p30 41.93 -163.79 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.619 -0.676 . . . . 0.0 110.103 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 587' ' ' VAL . . . . . 0.415 HG22 HG23 ' B' ' 588' ' ' VAL . 1.6 p -175.72 146.34 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.354 0 O-C-N 121.249 -0.907 . . . . 0.0 109.034 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 588' ' ' VAL . . . . . 0.464 ' O ' HG12 ' B' ' 588' ' ' VAL . 97.6 t 42.96 72.74 1.08 Allowed Pre-proline 0 N--CA 1.497 1.902 0 N-CA-C 109.573 -0.528 . . . . 0.0 109.573 -179.666 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 589' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -64.49 179.09 1.37 Allowed 'Trans proline' 0 C--N 1.317 -1.08 0 C-N-CA 121.468 1.445 . . . . 0.0 109.726 -179.55 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 590' ' ' SER . . . . . . . . . . . . . 41.8 t -167.86 136.98 2.54 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.195 -0.941 . . . . 0.0 109.56 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 591' ' ' LYS . . . . . 0.416 ' O ' ' OE2' ' B' ' 639' ' ' GLU . 18.1 ttmm -171.15 92.45 0.16 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.365 -0.834 . . . . 0.0 109.318 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -84.41 139.1 32.46 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.264 -0.897 . . . . 0.0 109.567 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 593' ' ' GLY . . . . . . . . . . . . . . . -80.22 -146.12 4.19 Favored Glycine 0 N--CA 1.489 2.213 0 N-CA-C 109.134 -1.586 . . . . 0.0 109.134 179.591 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 594' ' ' SER . . . . . . . . . . . . . 71.9 m -101.75 164.61 11.65 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.321 -1.105 . . . . 0.0 110.001 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 595' ' ' LEU . . . . . 0.502 ' N ' HD12 ' B' ' 595' ' ' LEU . 7.7 mp -95.83 120.05 35.4 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 596' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -128.12 155.47 44.37 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.432 -0.793 . . . . 0.0 109.407 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 597' ' ' ARG . . . . . . . . . . . . . 66.7 mtm180 -87.78 -174.66 4.84 Favored 'General case' 0 N--CA 1.492 1.67 0 CA-C-O 121.97 0.891 . . . . 0.0 110.896 -179.092 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 598' ' ' CYS . . . . . 0.526 ' O ' ' N ' ' B' ' 600' ' ' GLU . 4.5 p -53.74 -103.07 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.73 0 CA-C-O 121.48 0.657 . . . . 0.0 111.902 -177.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 6.5 t -43.46 -17.86 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.449 -0.782 . . . . 0.0 110.613 -178.116 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 600' ' ' GLU . . . . . 0.526 ' N ' ' O ' ' B' ' 598' ' ' CYS . 41.3 tt0 -53.43 -32.32 49.29 Favored 'General case' 0 C--N 1.302 -1.479 0 C-N-CA 118.62 -1.232 . . . . 0.0 107.954 -179.527 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 601' ' ' ILE . . . . . 0.572 ' O ' ' N ' ' B' ' 604' ' ' ARG . 1.0 OUTLIER -70.62 -40.29 76.95 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.294 0 N-CA-C 107.493 -1.299 . . . . 0.0 107.493 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 602' ' ' TRP . . . . . 0.4 ' C ' ' O ' ' B' ' 601' ' ' ILE . 27.2 t-105 -41.43 -38.27 1.22 Allowed 'General case' 0 N--CA 1.496 1.83 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 603' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -70.62 -41.79 71.77 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 178.079 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 604' ' ' ARG . . . . . 0.572 ' N ' ' O ' ' B' ' 601' ' ' ILE . 4.4 tpp180 -57.03 -22.31 37.86 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.603 -0.685 . . . . 0.0 110.529 179.667 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 605' ' ' ILE . . . . . . . . . . . . . 3.6 mt -88.68 -35.79 8.27 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.147 0 O-C-N 120.822 -1.174 . . . . 0.0 110.621 -177.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 606' ' ' THR . . . . . 0.516 ' C ' ' H ' ' B' ' 608' ' ' HIS . 57.9 p -59.52 -39.36 83.61 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.425 -0.797 . . . . 0.0 110.185 -178.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 607' ' ' THR . . . . . . . . . . . . . 1.8 t -67.06 15.52 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.047 -1.033 . . . . 0.0 110.41 -179.411 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 608' ' ' HIS . . . . . 0.516 ' H ' ' C ' ' B' ' 606' ' ' THR . 39.1 m-70 -131.9 123.97 19.4 Favored Pre-proline 0 N--CA 1.498 1.958 0 O-C-N 121.283 -0.886 . . . . 0.0 109.231 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 609' ' ' PRO . . . . . 0.519 ' O ' ' N ' ' B' ' 611' ' ' TYR . 2.1 Cg_endo -60.96 -37.07 79.73 Favored 'Trans proline' 0 C--O 1.215 -0.637 0 N-CA-C 109.53 -0.989 . . . . 0.0 109.53 179.614 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 610' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -64.73 71.59 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.327 -0.858 . . . . 0.0 109.385 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 611' ' ' TYR . . . . . 0.519 ' N ' ' O ' ' B' ' 609' ' ' PRO . 33.9 t80 -127.48 -0.63 6.24 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.579 -0.701 . . . . 0.0 109.236 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 612' ' ' SER . . . . . . . . . . . . . 93.9 p -80.39 -67.25 0.79 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.141 -0.975 . . . . 0.0 109.579 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 613' ' ' ASP . . . . . 0.469 ' O ' ' O ' ' B' ' 614' ' ' ILE . 12.6 p-10 -64.82 -126.6 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.376 -0.828 . . . . 0.0 109.764 -179.846 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 614' ' ' ILE . . . . . 0.57 HG22 ' N ' ' B' ' 615' ' ' ASP . 86.2 mt 53.16 163.14 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 CA-C-O 121.729 0.776 . . . . 0.0 110.853 179.223 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 615' ' ' ASP . . . . . 0.57 ' N ' HG22 ' B' ' 614' ' ' ILE . 0.9 OUTLIER -115.45 107.65 15.46 Favored 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 107.894 -1.15 . . . . 0.0 107.894 179.176 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 616' ' ' VAL . . . . . . . . . . . . . 4.2 p -75.22 -18.59 16.07 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.523 0 O-C-N 121.232 -0.918 . . . . 0.0 108.8 -179.713 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 617' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -81.05 -38.55 27.21 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.439 -0.788 . . . . 0.0 109.832 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 618' ' ' GLY . . . . . . . . . . . . . . . -70.06 -41.2 71.54 Favored Glycine 0 N--CA 1.489 2.226 0 N-CA-C 109.183 -1.567 . . . . 0.0 109.183 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 619' ' ' LEU . . . . . 0.709 ' C ' HD12 ' B' ' 619' ' ' LEU . 0.6 OUTLIER -68.47 -22.82 64.54 Favored 'General case' 0 N--CA 1.486 1.346 0 O-C-N 121.219 -1.165 . . . . 0.0 108.063 179.44 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 620' ' ' CYS . . . . . . . . . . . . . 44.6 t -69.66 -49.2 55.97 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.42 -0.8 . . . . 0.0 110.177 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 30.2 t -79.21 -4.96 53.09 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 120.913 -1.117 . . . . 0.0 109.61 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 622' ' ' GLU . . . . . . . . . . . . . 38.5 tp10 -101.39 -34.01 9.77 Favored 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 108.377 -0.972 . . . . 0.0 108.377 177.572 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 623' ' ' LEU . . . . . 0.43 HD11 HG12 ' B' ' 641' ' ' VAL . 5.7 tt -89.63 -28.88 19.22 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 120.99 -1.069 . . . . 0.0 109.56 179.446 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 624' ' ' MET . . . . . 0.418 ' SD ' ' CG2' ' A' ' 309' ' ' VAL . 0.3 OUTLIER -77.74 -30.0 51.39 Favored 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 113.352 0.871 . . . . 0.0 113.352 -177.26 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 625' ' ' ALA . . . . . . . . . . . . . . . -96.02 -3.62 44.57 Favored 'General case' 0 N--CA 1.507 2.383 0 O-C-N 120.446 -1.408 . . . . 0.0 109.643 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 626' ' ' LYS . . . . . . . . . . . . . 4.2 tppt? -91.92 -2.75 56.64 Favored 'General case' 0 N--CA 1.492 1.651 0 N-CA-C 105.92 -1.882 . . . . 0.0 105.92 175.451 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 627' ' ' ALA . . . . . . . . . . . . . . . -52.93 147.88 8.56 Favored 'General case' 0 N--CA 1.494 1.741 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.769 -179.101 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 628' ' ' LYS . . . . . . . . . . . . . 84.1 mttt -121.98 88.72 2.99 Favored 'General case' 0 N--CA 1.496 1.862 0 N-CA-C 107.845 -1.168 . . . . 0.0 107.845 178.539 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 629' ' ' CYS . . . . . . . . . . . . . 16.6 t -51.81 137.97 24.85 Favored 'General case' 0 N--CA 1.492 1.652 0 CA-C-O 122.235 1.017 . . . . 0.0 111.704 -178.005 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 630' ' ' SER . . . . . . . . . . . . . 4.6 t -142.47 162.74 34.69 Favored 'General case' 0 N--CA 1.493 1.717 0 N-CA-C 107.526 -1.287 . . . . 0.0 107.526 178.411 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 631' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -67.19 -32.35 73.37 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.468 -1.395 . . . . 0.0 109.996 -179.274 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 74.5 mtm180 -72.57 -16.14 61.75 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.73 -1.231 . . . . 0.0 108.511 179.19 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 633' ' ' GLY . . . . . . . . . . . . . . . 134.86 -177.27 19.42 Favored Glycine 0 N--CA 1.497 2.73 0 N-CA-C 108.569 -1.812 . . . . 0.0 108.569 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 634' ' ' VAL . . . . . . . . . . . . . 7.2 p -75.46 140.85 16.69 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.389 0 O-C-N 120.598 -1.531 . . . . 0.0 109.769 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 11.6 m -136.14 140.33 44.04 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.976 0 O-C-N 121.217 -0.927 . . . . 0.0 108.594 178.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 636' ' ' ILE . . . . . . . . . . . . . 64.3 mt -136.2 153.36 31.46 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.909 0 O-C-N 121.537 -0.727 . . . . 0.0 109.329 -179.004 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 637' ' ' ASN . . . . . . . . . . . . . 15.8 m-20 -83.76 138.3 33.33 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.292 -0.88 . . . . 0.0 109.102 179.644 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -60.57 -10.77 5.58 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.383 -0.823 . . . . 0.0 110.261 -179.402 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 639' ' ' GLU . . . . . 0.416 ' OE2' ' O ' ' B' ' 591' ' ' LYS . 76.5 mt-10 -79.49 -20.62 46.86 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.649 -1.282 . . . . 0.0 109.548 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 640' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -85.68 -34.48 21.29 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 120.594 -1.316 . . . . 0.0 108.298 178.073 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 641' ' ' VAL . . . . . 0.43 HG12 HD11 ' B' ' 623' ' ' LEU . 1.6 m -79.06 -33.33 15.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 178.458 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 642' ' ' GLN . . . . . 0.428 ' O ' ' OD1' ' B' ' 646' ' ' ASN . 33.3 tt0 -65.54 -37.41 86.66 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.261 -0.9 . . . . 0.0 108.76 178.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 643' ' ' LEU . . . . . . . . . . . . . 27.8 mt -84.83 -21.9 29.68 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.447 -0.783 . . . . 0.0 109.242 178.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 644' ' ' ALA . . . . . . . . . . . . . . . -84.36 -24.43 29.72 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.576 -1.327 . . . . 0.0 107.862 177.779 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 645' ' ' LEU . . . . . . . . . . . . . 28.8 mt -88.87 -25.22 22.27 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.406 -0.809 . . . . 0.0 109.247 178.789 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 646' ' ' ASN . . . . . 0.428 ' OD1' ' O ' ' B' ' 642' ' ' GLN . 19.5 m120 -90.9 -16.88 27.4 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.262 -0.899 . . . . 0.0 109.836 -179.681 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 647' ' ' LYS . . . . . 0.495 ' O ' ' N ' ' B' ' 649' ' ' MET . 94.2 mttt -91.94 -175.19 4.04 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.137 -0.977 . . . . 0.0 109.804 -179.588 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 648' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 43.85 20.96 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.706 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 -179.677 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 649' ' ' MET . . . . . 0.495 ' N ' ' O ' ' B' ' 647' ' ' LYS . 28.1 ttm -95.09 140.98 29.27 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.534 -0.729 . . . . 0.0 109.633 -179.324 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 650' ' ' ASN . . . . . . . . . . . . . 43.0 t30 . . . . . 0 N--CA 1.49 1.534 0 CA-C-O 117.959 -1.019 . . . . 0.0 109.395 -179.966 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 279' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 280' ' ' LEU . . . . . 0.566 HD12 ' N ' ' A' ' 280' ' ' LEU . 8.4 mp -63.79 -15.15 58.02 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.231 -0.918 . . . . 0.0 109.268 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 281' ' ' ASP . . . . . . . . . . . . . 36.2 t70 52.61 84.9 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.228 -0.92 . . . . 0.0 109.417 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 282' ' ' SER . . . . . . . . . . . . . 37.5 t -68.65 167.73 14.58 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.186 -0.946 . . . . 0.0 109.465 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 283' ' ' ASN . . . . . . . . . . . . . 11.1 p-10 -150.53 3.04 0.48 Allowed 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.199 -0.938 . . . . 0.0 109.58 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 284' ' ' MET . . . . . . . . . . . . . 51.0 mtt -91.35 38.1 0.96 Allowed 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.129 -0.982 . . . . 0.0 109.452 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 285' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -60.71 -169.2 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.276 -0.89 . . . . 0.0 109.59 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 286' ' ' SER . . . . . . . . . . . . . 12.0 m 54.1 -141.19 0.88 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.294 -0.879 . . . . 0.0 109.446 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 287' ' ' ASN . . . . . 0.428 ' O ' ' O ' ' A' ' 288' ' ' ASP . 12.4 t30 -162.71 77.39 0.46 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.224 -0.923 . . . . 0.0 109.507 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 288' ' ' ASP . . . . . 0.428 ' O ' ' O ' ' A' ' 287' ' ' ASN . 12.8 m-20 55.8 167.93 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.324 -0.86 . . . . 0.0 109.438 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 289' ' ' PHE . . . . . 0.438 ' O ' ' N ' ' A' ' 291' ' ' PHE . 42.3 m-85 50.36 42.46 26.04 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.247 -0.908 . . . . 0.0 109.466 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 290' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -68.66 69.05 0.16 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.253 -0.905 . . . . 0.0 109.376 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 291' ' ' PHE . . . . . 0.438 ' N ' ' O ' ' A' ' 289' ' ' PHE . 70.2 t80 -70.17 -53.3 17.8 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.238 -0.913 . . . . 0.0 109.38 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 292' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -143.4 -0.62 1.08 Allowed 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.243 -0.911 . . . . 0.0 109.104 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 293' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -63.61 113.08 3.11 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.223 -0.923 . . . . 0.0 109.36 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 294' ' ' GLN . . . . . . . . . . . . . 72.7 mm-40 -138.96 26.26 2.47 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.253 -0.905 . . . . 0.0 109.243 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 295' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -80.24 -105.13 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.248 -0.907 . . . . 0.0 109.404 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -174.62 92.98 0.07 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.154 -0.966 . . . . 0.0 109.552 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 297' ' ' GLU . . . . . 0.518 ' OE2' ' N ' ' A' ' 297' ' ' GLU . 2.0 mp0 48.33 -110.03 0.34 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.244 -0.91 . . . . 0.0 109.469 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 298' ' ' GLN . . . . . 0.435 ' O ' ' O ' ' A' ' 299' ' ' VAL . 13.7 tt0 -153.82 -50.81 0.1 Allowed 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.163 -0.961 . . . . 0.0 109.524 179.632 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 299' ' ' VAL . . . . . 0.435 ' O ' ' O ' ' A' ' 298' ' ' GLN . 4.2 t 59.55 116.59 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.242 0 CA-C-O 122.146 0.974 . . . . 0.0 109.202 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 300' ' ' SER . . . . . 0.468 ' O ' ' N ' ' A' ' 302' ' ' PHE . 7.7 t -165.5 -167.5 1.15 Allowed 'General case' 0 C--N 1.294 -1.84 0 C-N-CA 119.742 -0.783 . . . . 0.0 110.081 179.52 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 301' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -46.7 -17.92 0.06 Allowed 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.448 -0.783 . . . . 0.0 109.652 -179.688 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 302' ' ' PHE . . . . . 0.517 ' CD2' ' SD ' ' A' ' 306' ' ' MET . 5.5 t80 -77.77 -43.56 30.38 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 179.318 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 303' ' ' CYS . . . . . . . . . . . . . 85.8 m -86.37 -47.12 9.63 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.546 -0.721 . . . . 0.0 109.147 179.069 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 2.1 p -53.49 -31.06 44.24 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.499 -0.751 . . . . 0.0 111.672 -178.462 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . 78.6 mttt -104.59 -16.34 15.05 Favored 'General case' 0 N--CA 1.508 2.437 0 O-C-N 120.766 -1.209 . . . . 0.0 110.203 179.705 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 306' ' ' MET . . . . . 0.517 ' SD ' ' CD2' ' A' ' 302' ' ' PHE . 38.7 mtp -74.61 -25.66 59.39 Favored 'General case' 0 C--N 1.299 -1.595 0 N-CA-C 106.513 -1.662 . . . . 0.0 106.513 176.676 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 307' ' ' ASN . . . . . 0.454 ' O ' ' C ' ' A' ' 308' ' ' GLN . 2.0 m-20 -82.74 -42.99 17.32 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 106.352 -1.721 . . . . 0.0 106.352 178.538 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 308' ' ' GLN . . . . . 0.524 ' O ' ' N ' ' A' ' 311' ' ' GLY . 6.4 tm0? -35.08 -39.14 0.1 Allowed 'General case' 0 N--CA 1.505 2.306 0 CA-C-O 121.394 0.616 . . . . 0.0 109.419 178.606 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 309' ' ' VAL . . . . . 0.671 HG21 ' O ' ' B' ' 624' ' ' MET . 38.0 t -45.98 -16.62 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.861 0 CA-C-O 121.857 0.836 . . . . 0.0 109.021 179.219 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 310' ' ' CYS . . . . . 0.523 ' N ' ' O ' ' A' ' 308' ' ' GLN . 8.9 m -89.58 19.29 4.68 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.553 -0.717 . . . . 0.0 109.113 179.046 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 311' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' A' ' 308' ' ' GLN . . . -79.07 118.46 4.8 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.495 -1.442 . . . . 0.0 109.495 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 312' ' ' THR . . . . . . . . . . . . . 67.3 p -77.81 110.33 12.59 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.294 -1.121 . . . . 0.0 109.507 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 313' ' ' ARG . . . . . . . . . . . . . 34.2 ptt180 . . . . . 0 N--CA 1.49 1.559 0 CA-C-O 118.045 -0.979 . . . . 0.0 109.522 -179.988 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 565' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 . . . . . 0 N--CA 1.49 1.541 0 CA-C-O 121.288 0.566 . . . . 0.0 109.512 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 566' ' ' GLY . . . . . . . . . . . . . . . -177.81 2.97 0.03 OUTLIER Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.536 -1.425 . . . . 0.0 109.536 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 567' ' ' SER . . . . . . . . . . . . . 38.7 t -64.44 97.49 0.2 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.294 -1.121 . . . . 0.0 109.486 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 568' ' ' SER . . . . . . . . . . . . . 42.6 t -64.19 -28.26 69.62 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.226 -0.921 . . . . 0.0 109.465 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 569' ' ' LEU . . . . . . . . . . . . . 15.5 mt -69.58 115.59 9.01 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.2 -0.938 . . . . 0.0 109.392 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 570' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 52.35 -167.19 0.05 Allowed 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.227 -0.921 . . . . 0.0 109.427 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 571' ' ' ASN . . . . . . . . . . . . . 36.5 m-20 52.25 48.81 21.89 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.2 -0.938 . . . . 0.0 109.537 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 572' ' ' ALA . . . . . 0.433 ' O ' ' O ' ' B' ' 573' ' ' ASP . . . -170.6 124.41 0.68 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.217 -0.927 . . . . 0.0 109.399 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 573' ' ' ASP . . . . . 0.433 ' O ' ' O ' ' B' ' 572' ' ' ALA . 26.1 t70 56.54 106.93 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.288 -0.883 . . . . 0.0 109.543 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 574' ' ' LYS . . . . . . . . . . . . . 19.4 ptmt -146.53 -15.85 0.43 Allowed 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.2 -0.938 . . . . 0.0 109.317 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 575' ' ' ILE . . . . . . . . . . . . . 15.9 tt -72.63 -17.51 18.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.31 -0.869 . . . . 0.0 109.314 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 576' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -167.54 156.34 9.72 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.391 -0.818 . . . . 0.0 109.323 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 577' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -73.85 -95.87 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.239 -0.913 . . . . 0.0 109.453 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 578' ' ' GLY . . . . . . . . . . . . . . . -65.85 154.8 50.87 Favored Glycine 0 N--CA 1.489 2.195 0 N-CA-C 109.55 -1.42 . . . . 0.0 109.55 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 579' ' ' ASN . . . . . . . . . . . . . 49.4 m-80 -74.37 139.59 44.19 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.258 -1.142 . . . . 0.0 109.402 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 580' ' ' ASP . . . . . 0.491 ' O ' ' N ' ' B' ' 582' ' ' ASP . 8.2 m-20 -75.6 176.35 7.71 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.296 -0.878 . . . . 0.0 109.448 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 581' ' ' ASN . . . . . 0.42 ' OD1' ' N ' ' B' ' 581' ' ' ASN . 0.9 OUTLIER 66.72 -43.0 0.42 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.46 -0.775 . . . . 0.0 109.694 -179.914 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 582' ' ' ASP . . . . . 0.491 ' N ' ' O ' ' B' ' 580' ' ' ASP . 1.0 OUTLIER -56.52 -85.37 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.198 -0.939 . . . . 0.0 109.357 179.922 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 583' ' ' ASN . . . . . . . . . . . . . 30.1 t-20 -66.33 129.69 40.7 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.235 -0.916 . . . . 0.0 109.503 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 584' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -169.5 46.99 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.223 -0.923 . . . . 0.0 109.41 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 585' ' ' ASN . . . . . . . . . . . . . 14.9 p-10 -70.07 -47.73 60.73 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.33 -0.856 . . . . 0.0 109.236 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 586' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -169.83 63.73 0.05 OUTLIER 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.282 -0.887 . . . . 0.0 109.516 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 587' ' ' VAL . . . . . 0.501 HG12 ' H ' ' B' ' 588' ' ' VAL . 2.2 t -76.97 -139.2 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.174 -0.953 . . . . 0.0 109.23 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 588' ' ' VAL . . . . . 0.501 ' H ' HG12 ' B' ' 587' ' ' VAL . 23.2 t -60.21 133.49 90.49 Favored Pre-proline 0 N--CA 1.49 1.55 0 O-C-N 121.38 -0.825 . . . . 0.0 109.001 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 589' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -59.76 115.62 2.74 Favored 'Trans proline' 0 C--O 1.215 -0.636 0 N-CA-C 109.626 -0.952 . . . . 0.0 109.626 179.548 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 590' ' ' SER . . . . . . . . . . . . . 42.4 t -79.28 154.84 28.83 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.161 -0.962 . . . . 0.0 109.226 179.747 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 591' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -70.43 144.82 51.37 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.2 -0.938 . . . . 0.0 109.364 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -74.69 -152.8 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.264 -0.897 . . . . 0.0 109.526 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 593' ' ' GLY . . . . . . . . . . . . . . . -152.37 -143.56 3.72 Favored Glycine 0 N--CA 1.492 2.37 0 N-CA-C 109.046 -1.622 . . . . 0.0 109.046 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 594' ' ' SER . . . . . 0.47 ' C ' HD22 ' B' ' 595' ' ' LEU . 69.3 m -82.65 165.54 19.92 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.016 -1.284 . . . . 0.0 110.126 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 595' ' ' LEU . . . . . 0.767 HD22 ' N ' ' B' ' 595' ' ' LEU . 2.8 mm? -98.53 124.22 43.15 Favored 'General case' 0 C--N 1.298 -1.631 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 179.78 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 596' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -128.93 141.89 51.12 Favored 'General case' 0 N--CA 1.504 2.266 0 O-C-N 121.182 -0.949 . . . . 0.0 109.212 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 597' ' ' ARG . . . . . 0.62 ' H ' ' CB ' ' B' ' 600' ' ' GLU . 34.9 mtp180 -112.84 -124.01 0.28 Allowed 'General case' 0 N--CA 1.505 2.321 0 O-C-N 121.63 -0.669 . . . . 0.0 111.263 -177.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 598' ' ' CYS . . . . . 0.565 ' SG ' ' N ' ' B' ' 599' ' ' SER . 41.7 t -75.95 -109.88 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.256 -0.902 . . . . 0.0 111.074 -178.472 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 599' ' ' SER . . . . . 0.565 ' N ' ' SG ' ' B' ' 598' ' ' CYS . 29.1 t -44.38 -22.71 0.08 Allowed 'General case' 0 N--CA 1.499 1.977 0 CA-C-O 122.366 1.079 . . . . 0.0 108.914 -179.283 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 600' ' ' GLU . . . . . 0.62 ' CB ' ' H ' ' B' ' 597' ' ' ARG . 16.5 mp0 -45.48 -46.56 13.77 Favored 'General case' 0 C--N 1.297 -1.703 0 CA-C-O 122.829 1.299 . . . . 0.0 109.084 178.565 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 601' ' ' ILE . . . . . 0.541 ' O ' ' N ' ' B' ' 604' ' ' ARG . 2.0 mt -68.16 -30.33 47.55 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.295 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 -178.354 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 602' ' ' TRP . . . . . 0.405 ' C ' ' O ' ' B' ' 601' ' ' ILE . 33.1 t-105 -47.27 -39.56 14.75 Favored 'General case' 0 N--CA 1.494 1.733 0 N-CA-C 107.423 -1.325 . . . . 0.0 107.423 179.225 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 603' ' ' ASP . . . . . 0.431 ' O ' ' OG1' ' B' ' 606' ' ' THR . 29.4 m-20 -64.04 -42.04 97.21 Favored 'General case' 0 C--N 1.305 -1.359 0 N-CA-C 107.138 -1.431 . . . . 0.0 107.138 177.343 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 604' ' ' ARG . . . . . 0.541 ' N ' ' O ' ' B' ' 601' ' ' ILE . 8.6 tpm_? -57.11 -39.65 75.52 Favored 'General case' 0 N--CA 1.496 1.866 0 C-N-CA 119.458 -0.897 . . . . 0.0 108.772 178.487 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 605' ' ' ILE . . . . . . . . . . . . . 43.7 mt -71.04 -47.42 61.72 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.965 0 O-C-N 121.466 -0.771 . . . . 0.0 110.47 179.674 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 606' ' ' THR . . . . . 0.485 ' C ' ' H ' ' B' ' 608' ' ' HIS . 21.3 p -44.97 -37.93 4.35 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.104 -0.997 . . . . 0.0 110.267 -179.065 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 607' ' ' THR . . . . . 0.427 ' OG1' ' O ' ' B' ' 604' ' ' ARG . 62.4 p -60.92 0.12 0.25 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.047 -1.033 . . . . 0.0 109.772 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 608' ' ' HIS . . . . . 0.485 ' H ' ' C ' ' B' ' 606' ' ' THR . 30.0 m170 -112.4 97.21 39.04 Favored Pre-proline 0 N--CA 1.499 1.988 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 179.686 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 609' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -59.12 -30.66 93.77 Favored 'Trans proline' 0 C--N 1.324 -0.733 0 C-N-CA 120.671 0.914 . . . . 0.0 109.961 -178.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 610' ' ' LYS . . . . . 0.49 ' C ' ' H ' ' B' ' 612' ' ' SER . 3.8 mmmm -49.31 -82.85 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.3 -0.875 . . . . 0.0 109.399 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 611' ' ' TYR . . . . . . . . . . . . . 9.6 t80 64.18 -3.65 0.47 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.396 -0.815 . . . . 0.0 109.452 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 612' ' ' SER . . . . . 0.49 ' H ' ' C ' ' B' ' 610' ' ' LYS . 49.6 m -80.97 -78.46 0.18 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.256 -0.903 . . . . 0.0 109.78 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 613' ' ' ASP . . . . . 0.463 ' O ' ' O ' ' B' ' 614' ' ' ILE . 14.7 p-10 -61.74 -123.22 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.273 -0.892 . . . . 0.0 109.497 -179.801 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 614' ' ' ILE . . . . . 0.565 HG22 ' N ' ' B' ' 615' ' ' ASP . 65.6 mt 53.91 165.25 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.725 0 O-C-N 121.459 -0.776 . . . . 0.0 110.376 179.196 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 615' ' ' ASP . . . . . 0.565 ' N ' HG22 ' B' ' 614' ' ' ILE . 80.5 m-20 -128.69 109.92 11.75 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 179.486 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 616' ' ' VAL . . . . . . . . . . . . . 4.2 p -78.51 -17.58 13.57 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.37 -0.832 . . . . 0.0 109.1 -179.59 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 617' ' ' ASP . . . . . 0.482 ' O ' ' SG ' ' B' ' 620' ' ' CYS . 3.9 m-20 -75.2 -38.79 60.6 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.401 -0.812 . . . . 0.0 110.342 -179.551 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 618' ' ' GLY . . . . . 0.434 ' O ' ' OE2' ' B' ' 622' ' ' GLU . . . -66.41 -32.67 82.54 Favored Glycine 0 N--CA 1.49 2.294 0 C-N-CA 119.506 -1.33 . . . . 0.0 109.81 -179.646 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 619' ' ' LEU . . . . . 0.543 HD13 HD21 ' B' ' 645' ' ' LEU . 0.6 OUTLIER -70.07 -27.09 64.35 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.077 -1.249 . . . . 0.0 108.37 179.683 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 620' ' ' CYS . . . . . 0.587 ' SG ' ' N ' ' B' ' 621' ' ' SER . 1.4 p -67.69 -48.71 65.83 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.333 -0.854 . . . . 0.0 110.672 -179.541 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 621' ' ' SER . . . . . 0.587 ' N ' ' SG ' ' B' ' 620' ' ' CYS . 29.9 t -82.97 -3.31 57.02 Favored 'General case' 0 N--CA 1.503 2.197 0 O-C-N 120.5 -1.375 . . . . 0.0 110.353 -179.243 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 622' ' ' GLU . . . . . 0.434 ' OE2' ' O ' ' B' ' 618' ' ' GLY . 0.3 OUTLIER -99.39 -40.27 7.97 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.022 -1.049 . . . . 0.0 108.392 177.433 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 623' ' ' LEU . . . . . . . . . . . . . 18.0 mt -86.43 -19.78 29.13 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.996 -1.065 . . . . 0.0 110.661 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 624' ' ' MET . . . . . 0.671 ' O ' HG21 ' A' ' 309' ' ' VAL . 76.3 mtp -76.73 -28.06 55.66 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 120.627 -1.296 . . . . 0.0 111.779 -177.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 625' ' ' ALA . . . . . 0.419 ' C ' ' N ' ' B' ' 627' ' ' ALA . . . -104.64 -41.15 5.77 Favored 'General case' 0 N--CA 1.505 2.298 0 O-C-N 120.617 -1.302 . . . . 0.0 109.343 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 626' ' ' LYS . . . . . 0.504 ' NZ ' ' OD1' ' B' ' 640' ' ' ASP . 53.0 mtmt -60.78 -14.61 22.55 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 106.512 -1.662 . . . . 0.0 106.512 177.598 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 627' ' ' ALA . . . . . 0.419 ' N ' ' C ' ' B' ' 625' ' ' ALA . . . -44.96 136.88 4.44 Favored 'General case' 0 N--CA 1.491 1.625 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.877 179.53 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 628' ' ' LYS . . . . . . . . . . . . . 80.6 tttt -101.85 92.46 4.83 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 107.311 -1.366 . . . . 0.0 107.311 178.337 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 629' ' ' CYS . . . . . . . . . . . . . 51.0 t -59.98 134.74 57.32 Favored 'General case' 0 N--CA 1.49 1.572 0 CA-C-O 122.557 1.17 . . . . 0.0 112.215 -177.516 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 630' ' ' SER . . . . . . . . . . . . . 6.8 t -141.96 161.04 38.96 Favored 'General case' 0 N--CA 1.492 1.674 0 N-CA-C 107.062 -1.459 . . . . 0.0 107.062 178.229 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 631' ' ' GLU . . . . . 0.615 ' H ' ' CD ' ' B' ' 631' ' ' GLU . 1.4 pm0 -66.44 -28.3 68.5 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.253 -1.529 . . . . 0.0 109.684 -179.32 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 632' ' ' ARG . . . . . 0.423 HH11 ' HG3' ' B' ' 632' ' ' ARG . 29.0 mtm-85 -74.04 -15.42 61.08 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.9 -1.125 . . . . 0.0 108.213 178.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 633' ' ' GLY . . . . . . . . . . . . . . . 133.62 -174.87 20.54 Favored Glycine 0 N--CA 1.497 2.724 0 N-CA-C 108.442 -1.863 . . . . 0.0 108.442 -179.592 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 634' ' ' VAL . . . . . . . . . . . . . 7.6 m -79.44 162.18 3.93 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 O-C-N 120.597 -1.531 . . . . 0.0 109.792 179.755 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 5.3 p -148.5 140.59 18.08 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 O-C-N 120.988 -1.07 . . . . 0.0 108.855 177.493 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 636' ' ' ILE . . . . . . . . . . . . . 18.1 mm -118.67 132.91 67.17 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.957 0 O-C-N 121.884 -0.51 . . . . 0.0 110.224 -178.617 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 637' ' ' ASN . . . . . 0.51 ' O ' ' N ' ' B' ' 639' ' ' GLU . 47.6 m-20 -83.95 134.32 34.66 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 107.9 -1.148 . . . . 0.0 107.9 178.12 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 638' ' ' ALA . . . . . 0.406 ' O ' ' CG ' ' B' ' 642' ' ' GLN . . . -46.54 -13.44 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.424 -0.797 . . . . 0.0 110.848 -178.204 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 639' ' ' GLU . . . . . 0.51 ' N ' ' O ' ' B' ' 637' ' ' ASN . 72.0 mt-10 -82.24 -20.93 36.67 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.913 -1.117 . . . . 0.0 110.61 -179.333 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 640' ' ' ASP . . . . . 0.504 ' OD1' ' NZ ' ' B' ' 626' ' ' LYS . 19.2 t0 -85.46 -58.34 2.71 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 120.457 -1.402 . . . . 0.0 107.881 178.121 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 641' ' ' VAL . . . . . 0.587 HG13 ' N ' ' B' ' 642' ' ' GLN . 7.8 p -50.12 -47.21 24.67 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 120.788 -1.195 . . . . 0.0 108.562 177.867 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 642' ' ' GLN . . . . . 0.587 ' N ' HG13 ' B' ' 641' ' ' VAL . 75.4 mm-40 -57.65 -35.75 70.94 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.008 -1.058 . . . . 0.0 109.572 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 643' ' ' LEU . . . . . . . . . . . . . 61.1 mt -80.67 -23.31 39.72 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.176 -0.952 . . . . 0.0 109.001 178.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 644' ' ' ALA . . . . . . . . . . . . . . . -86.59 -48.16 8.58 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.823 -1.173 . . . . 0.0 108.881 178.548 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 645' ' ' LEU . . . . . 0.543 HD21 HD13 ' B' ' 619' ' ' LEU . 46.9 mt -66.68 -69.73 0.29 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.858 -1.151 . . . . 0.0 109.523 179.42 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 646' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -46.61 -13.57 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.144 -0.972 . . . . 0.0 110.917 -178.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 647' ' ' LYS . . . . . 0.507 ' N ' ' O ' ' B' ' 645' ' ' LEU . 54.6 tttp -99.69 -11.66 20.69 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 120.952 -1.092 . . . . 0.0 110.109 -179.6 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 648' ' ' HIS . . . . . . . . . . . . . 51.4 m-70 -111.17 12.78 21.84 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.344 -0.848 . . . . 0.0 109.52 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 649' ' ' MET . . . . . . . . . . . . . 12.7 mtt -97.03 125.76 41.7 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.249 -0.907 . . . . 0.0 109.402 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 650' ' ' ASN . . . . . . . . . . . . . 74.1 m-80 . . . . . 0 N--CA 1.491 1.616 0 CA-C-O 118.006 -0.997 . . . . 0.0 109.447 179.978 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 279' ' ' ASN . . . . . . . . . . . . . 15.4 p30 . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . 34.6 tp -73.46 -19.01 61.06 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.244 -0.91 . . . . 0.0 109.188 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 281' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -162.33 68.46 0.25 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.179 -0.951 . . . . 0.0 109.489 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 282' ' ' SER . . . . . . . . . . . . . 54.3 p -171.33 89.85 0.12 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.218 -0.926 . . . . 0.0 109.434 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 283' ' ' ASN . . . . . 0.419 ' N ' ' OD1' ' A' ' 283' ' ' ASN . 15.2 p-10 -167.3 154.63 8.8 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.133 -0.979 . . . . 0.0 109.501 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 284' ' ' MET . . . . . . . . . . . . . 24.5 ttt 53.43 66.08 1.33 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.255 -0.903 . . . . 0.0 109.425 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 285' ' ' PHE . . . . . . . . . . . . . 24.3 p90 -75.14 160.92 29.87 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.246 -0.909 . . . . 0.0 109.464 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 286' ' ' SER . . . . . . . . . . . . . 24.9 p 52.14 -165.53 0.06 Allowed 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.253 -0.904 . . . . 0.0 109.424 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 287' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -170.1 -22.46 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.228 -0.92 . . . . 0.0 109.41 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 288' ' ' ASP . . . . . 0.464 ' C ' ' H ' ' A' ' 290' ' ' ASN . 1.0 OUTLIER -67.4 -177.53 0.72 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.356 -0.84 . . . . 0.0 109.502 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 289' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -75.55 29.48 0.1 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.248 -0.908 . . . . 0.0 109.471 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 290' ' ' ASN . . . . . 0.464 ' H ' ' C ' ' A' ' 288' ' ' ASP . 3.3 p-10 -66.97 139.89 57.71 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.266 -0.896 . . . . 0.0 109.571 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 291' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -68.97 -43.61 74.59 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.295 -0.878 . . . . 0.0 109.462 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 292' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -169.74 36.78 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.177 -0.952 . . . . 0.0 109.417 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 293' ' ' ASN . . . . . 0.514 ' ND2' ' CD1' ' A' ' 295' ' ' PHE . 57.7 t30 -65.46 142.64 58.09 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.162 -0.961 . . . . 0.0 109.409 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 294' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -66.23 -112.96 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.206 -0.934 . . . . 0.0 109.4 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 295' ' ' PHE . . . . . 0.514 ' CD1' ' ND2' ' A' ' 293' ' ' ASN . 78.6 m-85 50.79 61.78 3.05 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.16 -0.962 . . . . 0.0 109.588 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -72.77 39.44 0.08 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.362 -0.836 . . . . 0.0 109.293 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 297' ' ' GLU . . . . . 0.516 ' O ' ' N ' ' A' ' 299' ' ' VAL . 65.0 mt-10 -83.64 -59.89 2.29 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.268 -0.895 . . . . 0.0 109.491 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 298' ' ' GLN . . . . . 0.576 ' OE1' HG12 ' A' ' 299' ' ' VAL . 3.6 tm0? 66.97 -48.27 0.47 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.549 -0.719 . . . . 0.0 109.233 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 299' ' ' VAL . . . . . 0.576 HG12 ' OE1' ' A' ' 298' ' ' GLN . 5.4 p -173.28 106.32 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 CA-C-O 122.342 1.068 . . . . 0.0 109.399 179.533 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 300' ' ' SER . . . . . 0.553 ' O ' ' N ' ' A' ' 304' ' ' SER . 2.2 m 160.74 23.13 0.0 OUTLIER 'General case' 0 C--N 1.295 -1.773 0 CA-C-N 114.927 -1.033 . . . . 0.0 108.37 179.746 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 301' ' ' GLU . . . . . 0.458 ' C ' ' O ' ' A' ' 300' ' ' SER . 56.7 mt-10 -45.76 -24.91 0.42 Allowed 'General case' 0 N--CA 1.493 1.714 0 N-CA-C 106.414 -1.698 . . . . 0.0 106.414 178.089 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 302' ' ' PHE . . . . . 0.519 ' N ' ' C ' ' A' ' 300' ' ' SER . 38.6 t80 -75.18 -63.55 1.25 Allowed 'General case' 0 C--N 1.304 -1.385 0 CA-C-N 114.276 -1.329 . . . . 0.0 109.578 178.362 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 303' ' ' CYS . . . . . . . . . . . . . 66.3 m -70.96 -45.01 64.85 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.081 -1.012 . . . . 0.0 109.543 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 304' ' ' SER . . . . . 0.553 ' N ' ' O ' ' A' ' 300' ' ' SER . 42.2 t -53.97 -26.33 25.28 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.429 -0.795 . . . . 0.0 111.587 -178.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . 24.6 mtpp -97.13 -13.68 22.0 Favored 'General case' 0 N--CA 1.507 2.389 0 O-C-N 120.828 -1.17 . . . . 0.0 108.317 178.282 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 306' ' ' MET . . . . . . . . . . . . . 6.0 mmt -72.71 -26.07 61.46 Favored 'General case' 0 C--N 1.295 -1.766 0 N-CA-C 107.327 -1.361 . . . . 0.0 107.327 177.232 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 307' ' ' ASN . . . . . 0.424 ' O ' ' C ' ' A' ' 308' ' ' GLN . 30.5 t30 -84.65 -39.2 18.91 Favored 'General case' 0 N--CA 1.492 1.675 0 N-CA-C 106.673 -1.603 . . . . 0.0 106.673 179.521 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 308' ' ' GLN . . . . . 0.543 ' O ' ' N ' ' A' ' 310' ' ' CYS . 43.6 mm-40 -37.17 -40.14 0.3 Allowed 'General case' 0 N--CA 1.506 2.336 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 178.444 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 309' ' ' VAL . . . . . 0.414 HG23 ' H ' ' A' ' 309' ' ' VAL . 11.0 t -46.82 -12.66 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.874 0 CA-C-O 121.361 0.601 . . . . 0.0 109.729 179.283 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 310' ' ' CYS . . . . . 0.543 ' N ' ' O ' ' A' ' 308' ' ' GLN . 3.1 t -76.61 -59.9 2.58 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.417 -0.802 . . . . 0.0 109.314 179.476 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 311' ' ' GLY . . . . . . . . . . . . . . . -83.0 117.53 4.43 Favored Glycine 0 N--CA 1.493 2.453 0 N-CA-C 109.547 -1.421 . . . . 0.0 109.547 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 312' ' ' THR . . . . . . . . . . . . . 34.6 m -76.91 90.22 3.51 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.187 -1.184 . . . . 0.0 109.493 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 313' ' ' ARG . . . . . . . . . . . . . 42.2 ttp180 . . . . . 0 N--CA 1.489 1.506 0 CA-C-O 118.0 -1.0 . . . . 0.0 109.464 179.999 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 565' ' ' ASN . . . . . 0.827 ' N ' HD21 ' B' ' 565' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.563 0 CA-C-O 121.264 0.554 . . . . 0.0 109.53 . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 566' ' ' GLY . . . . . . . . . . . . . . . -62.35 -34.95 90.87 Favored Glycine 0 N--CA 1.49 2.236 0 N-CA-C 109.598 -1.401 . . . . 0.0 109.598 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 567' ' ' SER . . . . . . . . . . . . . 77.5 p -171.43 -22.58 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.222 -1.163 . . . . 0.0 109.456 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 568' ' ' SER . . . . . 0.463 ' C ' ' H ' ' B' ' 570' ' ' GLN . 54.3 m -75.34 84.57 2.48 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.206 -0.933 . . . . 0.0 109.507 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 569' ' ' LEU . . . . . . . . . . . . . 14.8 mt -73.98 18.15 0.15 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.268 -0.895 . . . . 0.0 109.446 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 570' ' ' GLN . . . . . 0.463 ' H ' ' C ' ' B' ' 568' ' ' SER . 77.8 mt-30 -61.7 120.56 10.88 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.225 -0.922 . . . . 0.0 109.398 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 571' ' ' ASN . . . . . 0.413 ' O ' ' O ' ' B' ' 570' ' ' GLN . 12.7 m120 52.8 98.44 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.306 -0.871 . . . . 0.0 109.433 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -165.8 33.6 0.05 Allowed 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.312 -0.867 . . . . 0.0 109.416 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 573' ' ' ASP . . . . . 0.417 ' C ' ' H ' ' B' ' 575' ' ' ILE . 71.9 m-20 -67.04 177.55 1.7 Allowed 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.247 -0.908 . . . . 0.0 109.389 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 574' ' ' LYS . . . . . . . . . . . . . 21.4 pttm -71.84 9.21 0.95 Allowed 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.267 -0.896 . . . . 0.0 109.509 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 575' ' ' ILE . . . . . 0.417 ' H ' ' C ' ' B' ' 573' ' ' ASP . 6.0 tp -170.11 133.48 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.164 -0.96 . . . . 0.0 109.203 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 576' ' ' ASN . . . . . . . . . . . . . 10.4 p-10 -80.75 134.98 35.91 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.291 -0.881 . . . . 0.0 109.477 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 577' ' ' ASN . . . . . . . . . . . . . 70.3 m-80 -74.12 120.39 19.63 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.201 -0.937 . . . . 0.0 109.399 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 578' ' ' GLY . . . . . . . . . . . . . . . 178.13 119.68 0.61 Allowed Glycine 0 N--CA 1.49 2.246 0 N-CA-C 109.396 -1.481 . . . . 0.0 109.396 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 579' ' ' ASN . . . . . . . . . . . . . 60.6 m-80 -70.8 78.2 0.62 Allowed 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.181 -1.188 . . . . 0.0 109.485 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 580' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 52.69 77.84 0.15 Allowed 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.211 -0.93 . . . . 0.0 109.343 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 581' ' ' ASN . . . . . . . . . . . . . 30.8 m120 -65.7 -155.47 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.164 -0.96 . . . . 0.0 109.417 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 582' ' ' ASP . . . . . 0.459 ' C ' ' H ' ' B' ' 584' ' ' ASP . 36.7 t0 -169.47 164.77 10.55 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.218 -0.926 . . . . 0.0 109.379 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 583' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -73.35 15.37 0.24 Allowed 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.256 -0.902 . . . . 0.0 109.483 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 584' ' ' ASP . . . . . 0.459 ' H ' ' C ' ' B' ' 582' ' ' ASP . 7.2 p-10 -170.64 55.04 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.23 -0.919 . . . . 0.0 109.525 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 585' ' ' ASN . . . . . 0.414 ' CG ' ' H ' ' B' ' 586' ' ' ASP . 26.7 t-20 -64.67 175.98 1.28 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.262 -0.899 . . . . 0.0 109.403 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 586' ' ' ASP . . . . . 0.414 ' H ' ' CG ' ' B' ' 585' ' ' ASN . 7.2 p-10 -77.16 53.36 0.98 Allowed 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.201 -0.937 . . . . 0.0 109.37 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 587' ' ' VAL . . . . . . . . . . . . . 3.8 t -74.42 -121.88 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 O-C-N 121.22 -0.925 . . . . 0.0 109.487 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 588' ' ' VAL . . . . . 0.642 ' N ' ' CD ' ' B' ' 589' ' ' PRO . 10.7 p -92.25 -19.64 0.24 Allowed Pre-proline 0 N--CA 1.5 2.039 0 N-CA-C 114.117 1.154 . . . . 0.0 114.117 -178.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 589' ' ' PRO . . . . . 0.642 ' CD ' ' N ' ' B' ' 588' ' ' VAL . 3.1 Cg_exo -65.49 -178.1 0.83 Allowed 'Trans proline' 0 C--O 1.215 -0.653 0 CA-C-N 120.68 1.279 . . . . 0.0 109.63 -179.479 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 590' ' ' SER . . . . . 0.431 ' O ' ' O ' ' B' ' 591' ' ' LYS . 35.2 t -150.57 35.29 0.63 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.265 -0.897 . . . . 0.0 109.47 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 591' ' ' LYS . . . . . 0.431 ' O ' ' O ' ' B' ' 590' ' ' SER . 20.6 pttp 36.53 -156.9 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.084 0 CA-C-O 121.237 0.541 . . . . 0.0 110.731 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 592' ' ' GLU . . . . . 0.422 ' O ' ' O ' ' B' ' 591' ' ' LYS . 12.0 mm-40 -60.99 -150.13 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.186 -0.946 . . . . 0.0 109.318 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 593' ' ' GLY . . . . . . . . . . . . . . . -156.31 126.72 1.85 Allowed Glycine 0 N--CA 1.492 2.402 0 N-CA-C 109.421 -1.471 . . . . 0.0 109.421 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 594' ' ' SER . . . . . . . . . . . . . 62.8 m -69.62 166.71 18.47 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.319 -1.107 . . . . 0.0 110.015 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 595' ' ' LEU . . . . . 0.548 ' N ' HD12 ' B' ' 595' ' ' LEU . 8.2 mp -90.19 118.27 29.58 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 179.812 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 596' ' ' LEU . . . . . 0.531 ' H ' HD12 ' B' ' 596' ' ' LEU . 0.0 OUTLIER -128.06 146.55 50.64 Favored 'General case' 0 N--CA 1.501 2.087 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 -179.89 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 597' ' ' ARG . . . . . 0.414 HH11 ' CG ' ' B' ' 597' ' ' ARG . 0.0 OUTLIER -78.92 -169.22 1.71 Allowed 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.361 -0.837 . . . . 0.0 109.847 -179.507 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 598' ' ' CYS . . . . . 0.519 ' O ' ' N ' ' B' ' 600' ' ' GLU . 1.8 p -65.41 -92.36 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.516 -0.74 . . . . 0.0 110.701 -178.688 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 14.2 t -45.04 -18.04 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.861 0 CA-C-O 121.957 0.884 . . . . 0.0 109.439 -179.404 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 600' ' ' GLU . . . . . 0.519 ' N ' ' O ' ' B' ' 598' ' ' CYS . 6.7 tm-20 -48.01 -41.63 26.03 Favored 'General case' 0 C--N 1.302 -1.472 0 CA-C-O 122.675 1.226 . . . . 0.0 108.564 179.333 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 601' ' ' ILE . . . . . 0.535 ' O ' ' N ' ' B' ' 604' ' ' ARG . 1.0 OUTLIER -66.34 -35.78 75.77 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.083 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 -178.269 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 602' ' ' TRP . . . . . 0.403 ' C ' ' O ' ' B' ' 601' ' ' ILE . 15.5 t-105 -44.99 -40.55 6.56 Favored 'General case' 0 N--CA 1.494 1.75 0 N-CA-C 108.061 -1.089 . . . . 0.0 108.061 179.81 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 603' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -65.13 -41.88 94.41 Favored 'General case' 0 C--N 1.304 -1.411 0 N-CA-C 107.721 -1.215 . . . . 0.0 107.721 177.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 604' ' ' ARG . . . . . 0.535 ' N ' ' O ' ' B' ' 601' ' ' ILE . 15.7 tpt180 -58.6 -33.48 70.06 Favored 'General case' 0 N--CA 1.497 1.921 0 CA-C-O 121.844 0.83 . . . . 0.0 109.464 179.108 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 605' ' ' ILE . . . . . . . . . . . . . 85.7 mt -80.05 -48.33 20.44 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.784 0 O-C-N 121.792 -0.567 . . . . 0.0 111.109 -179.381 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 606' ' ' THR . . . . . . . . . . . . . 35.1 p -53.3 -35.81 60.52 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 120.518 -1.364 . . . . 0.0 110.611 -178.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 607' ' ' THR . . . . . . . . . . . . . 6.7 t -77.52 25.8 0.18 Allowed 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.897 -1.127 . . . . 0.0 110.59 -179.087 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 608' ' ' HIS . . . . . 0.526 ' CE1' ' O ' ' B' ' 604' ' ' ARG . 4.2 m-70 -118.64 84.37 24.39 Favored Pre-proline 0 N--CA 1.503 2.217 0 O-C-N 121.259 -0.901 . . . . 0.0 110.062 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 609' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_exo -62.69 67.23 0.13 Allowed 'Trans proline' 0 C--N 1.323 -0.811 0 C-N-CA 121.331 1.354 . . . . 0.0 109.544 179.462 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 610' ' ' LYS . . . . . 0.525 ' N ' ' O ' ' B' ' 608' ' ' HIS . 18.9 pttp -178.22 41.78 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.175 -0.953 . . . . 0.0 109.334 179.68 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 611' ' ' TYR . . . . . 0.54 ' O ' ' N ' ' B' ' 613' ' ' ASP . 13.0 m-85 -47.6 -54.39 11.96 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.063 -1.023 . . . . 0.0 108.973 179.776 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 612' ' ' SER . . . . . . . . . . . . . 6.1 t 60.19 -74.57 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.508 -0.745 . . . . 0.0 109.881 179.655 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 613' ' ' ASP . . . . . 0.54 ' N ' ' O ' ' B' ' 611' ' ' TYR . 17.5 t70 -163.42 78.09 0.42 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.287 -0.883 . . . . 0.0 109.296 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 614' ' ' ILE . . . . . 0.444 HG22 ' N ' ' B' ' 615' ' ' ASP . 16.8 mm -80.62 166.62 2.38 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 121.284 -0.885 . . . . 0.0 109.765 -179.713 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 615' ' ' ASP . . . . . 0.444 ' N ' HG22 ' B' ' 614' ' ' ILE . 24.4 t0 -130.94 106.58 8.51 Favored 'General case' 0 N--CA 1.491 1.614 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 179.165 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 616' ' ' VAL . . . . . 0.442 HG22 ' H ' ' B' ' 616' ' ' VAL . 13.1 m -80.57 -16.97 12.54 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 CA-C-O 121.627 0.727 . . . . 0.0 109.356 -179.768 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 617' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -68.5 -43.97 75.72 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.29 -0.881 . . . . 0.0 110.217 -179.345 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 618' ' ' GLY . . . . . 0.436 ' O ' ' OE2' ' B' ' 622' ' ' GLU . . . -65.46 -37.64 93.98 Favored Glycine 0 N--CA 1.489 2.225 0 N-CA-C 110.003 -1.239 . . . . 0.0 110.003 -179.493 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 619' ' ' LEU . . . . . . . . . . . . . 4.4 mt -64.09 -22.42 66.93 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.104 -1.233 . . . . 0.0 108.064 179.507 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 620' ' ' CYS . . . . . . . . . . . . . 11.3 t -69.51 -53.58 18.41 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.558 -0.714 . . . . 0.0 110.849 -179.508 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 34.8 t -82.46 -1.59 50.7 Favored 'General case' 0 N--CA 1.502 2.128 0 O-C-N 120.562 -1.336 . . . . 0.0 110.531 -179.167 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 622' ' ' GLU . . . . . 0.436 ' OE2' ' O ' ' B' ' 618' ' ' GLY . 0.4 OUTLIER -99.14 -47.72 5.11 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.045 -1.034 . . . . 0.0 109.107 178.128 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 623' ' ' LEU . . . . . 0.478 ' N ' HD12 ' B' ' 623' ' ' LEU . 9.1 mp -86.24 -19.71 29.56 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 120.85 -1.156 . . . . 0.0 110.706 -179.204 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 624' ' ' MET . . . . . . . . . . . . . 24.5 ttt -71.46 -28.23 63.81 Favored 'General case' 0 N--CA 1.502 2.133 0 O-C-N 120.763 -1.211 . . . . 0.0 111.716 -178.437 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 625' ' ' ALA . . . . . . . . . . . . . . . -103.73 -3.39 25.08 Favored 'General case' 0 N--CA 1.506 2.361 0 O-C-N 120.746 -1.221 . . . . 0.0 109.288 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 626' ' ' LYS . . . . . 0.438 ' O ' ' NZ ' ' B' ' 628' ' ' LYS . 32.0 mmtm -96.38 -15.32 21.9 Favored 'General case' 0 N--CA 1.494 1.734 0 N-CA-C 106.879 -1.526 . . . . 0.0 106.879 176.524 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 627' ' ' ALA . . . . . . . . . . . . . . . -48.48 145.95 3.2 Favored 'General case' 0 N--CA 1.493 1.691 0 CA-C-O 121.478 0.656 . . . . 0.0 110.954 -179.634 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 628' ' ' LYS . . . . . 0.438 ' NZ ' ' O ' ' B' ' 626' ' ' LYS . 40.5 mmtm -123.94 89.79 3.15 Favored 'General case' 0 N--CA 1.497 1.925 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 179.422 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 629' ' ' CYS . . . . . . . . . . . . . 18.0 t -48.83 118.31 2.51 Favored 'General case' 0 N--CA 1.494 1.741 0 CA-C-O 122.249 1.024 . . . . 0.0 111.12 -178.595 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 630' ' ' SER . . . . . . . . . . . . . 13.1 t -142.93 161.86 37.0 Favored 'General case' 0 N--CA 1.495 1.811 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 178.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 631' ' ' GLU . . . . . 0.507 ' C ' ' H ' ' B' ' 633' ' ' GLY . 63.1 tt0 -63.35 -29.75 71.0 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.546 -1.346 . . . . 0.0 109.202 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 16.4 mmt180 -79.75 32.78 0.25 Allowed 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 107.548 -1.278 . . . . 0.0 107.548 178.041 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 633' ' ' GLY . . . . . 0.507 ' H ' ' C ' ' B' ' 631' ' ' GLU . . . 74.77 -171.52 53.49 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 108.296 -1.922 . . . . 0.0 108.296 -178.72 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 634' ' ' VAL . . . . . 0.433 ' O ' HG23 ' B' ' 634' ' ' VAL . 30.8 m -77.47 140.62 16.77 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 O-C-N 120.796 -1.414 . . . . 0.0 109.689 179.582 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 18.3 m -127.91 133.72 66.74 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.384 0 O-C-N 121.097 -1.002 . . . . 0.0 108.766 178.352 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 636' ' ' ILE . . . . . 0.45 ' O ' HD12 ' B' ' 596' ' ' LEU . 4.2 mt -125.32 156.46 34.49 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.877 0 CA-C-O 121.339 0.59 . . . . 0.0 109.953 -178.373 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 637' ' ' ASN . . . . . 0.527 ' O ' ' N ' ' B' ' 639' ' ' GLU . 8.9 m120 -89.58 121.92 32.24 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.19 -0.944 . . . . 0.0 109.033 179.207 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -47.6 -10.4 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.617 -0.677 . . . . 0.0 110.242 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 639' ' ' GLU . . . . . 0.527 ' N ' ' O ' ' B' ' 637' ' ' ASN . 41.0 tt0 -77.11 -20.31 55.83 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.9 -1.125 . . . . 0.0 109.685 179.623 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 640' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -87.97 -44.94 10.64 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 120.564 -1.335 . . . . 0.0 108.598 177.716 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 641' ' ' VAL . . . . . 0.446 ' H ' HG13 ' B' ' 641' ' ' VAL . 1.8 m -65.22 -32.76 59.67 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 121.031 -1.043 . . . . 0.0 108.918 178.58 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 642' ' ' GLN . . . . . . . . . . . . . 21.6 tp60 -72.61 -32.97 66.36 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.209 -0.932 . . . . 0.0 109.21 179.506 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 643' ' ' LEU . . . . . . . . . . . . . 89.2 mt -83.97 -21.94 31.6 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.212 -0.93 . . . . 0.0 108.761 178.665 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 644' ' ' ALA . . . . . . . . . . . . . . . -87.74 -36.26 17.45 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.085 -1.01 . . . . 0.0 108.791 178.41 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 645' ' ' LEU . . . . . . . . . . . . . 18.8 mt -77.59 -24.46 49.68 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.293 -0.88 . . . . 0.0 109.2 179.079 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 646' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -91.95 -8.15 47.04 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.912 -1.118 . . . . 0.0 109.882 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 647' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -104.79 -10.07 17.65 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.359 -0.838 . . . . 0.0 109.401 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 648' ' ' HIS . . . . . . . . . . . . . 23.3 m-70 -112.33 7.21 19.19 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.508 -0.745 . . . . 0.0 109.461 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 649' ' ' MET . . . . . . . . . . . . . 25.5 mmm -96.19 103.09 14.97 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.238 -0.914 . . . . 0.0 109.227 179.74 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 650' ' ' ASN . . . . . . . . . . . . . 14.0 m120 . . . . . 0 N--CA 1.489 1.509 0 CA-C-O 118.087 -0.959 . . . . 0.0 109.471 179.955 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 279' ' ' ASN . . . . . 0.646 HD22 ' N ' ' A' ' 279' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 280' ' ' LEU . . . . . 0.581 ' N ' HD22 ' A' ' 280' ' ' LEU . 3.5 mm? -70.48 -61.54 1.73 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.337 -0.852 . . . . 0.0 109.21 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 281' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -67.84 83.26 0.2 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.282 -0.886 . . . . 0.0 109.513 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 282' ' ' SER . . . . . 0.425 ' O ' ' O ' ' A' ' 283' ' ' ASN . 49.1 m -62.97 169.28 3.39 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.214 -0.929 . . . . 0.0 109.42 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 283' ' ' ASN . . . . . 0.425 ' O ' ' O ' ' A' ' 282' ' ' SER . 49.8 t-20 53.96 100.39 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.236 -0.915 . . . . 0.0 109.464 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 284' ' ' MET . . . . . 0.502 ' SD ' ' O ' ' A' ' 285' ' ' PHE . 12.2 tmm? -162.61 97.67 0.98 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.221 -0.924 . . . . 0.0 109.392 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 285' ' ' PHE . . . . . 0.502 ' O ' ' SD ' ' A' ' 284' ' ' MET . 97.0 m-85 -58.48 -179.49 0.06 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.366 -0.834 . . . . 0.0 109.603 -179.73 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 286' ' ' SER . . . . . 0.426 ' OG ' ' N ' ' A' ' 287' ' ' ASN . 92.5 p -47.95 -73.87 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.27 -0.893 . . . . 0.0 109.718 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 287' ' ' ASN . . . . . 0.426 ' N ' ' OG ' ' A' ' 286' ' ' SER . 11.0 m120 -157.64 -86.0 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.255 -0.903 . . . . 0.0 109.436 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 288' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -62.96 157.75 21.0 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.273 -0.892 . . . . 0.0 109.471 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 289' ' ' PHE . . . . . . . . . . . . . 93.4 t80 -68.06 -62.17 1.52 Allowed 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.265 -0.897 . . . . 0.0 109.451 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 290' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -166.64 125.82 1.49 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.227 -0.921 . . . . 0.0 109.418 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 291' ' ' PHE . . . . . 0.507 ' CD2' ' O ' ' A' ' 291' ' ' PHE . 67.7 t80 -169.25 0.68 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.25 -0.906 . . . . 0.0 109.456 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 292' ' ' GLU . . . . . . . . . . . . . 18.8 tp10 -166.02 89.17 0.4 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.202 -0.936 . . . . 0.0 109.514 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 293' ' ' ASN . . . . . . . . . . . . . 58.5 t-20 53.91 -124.37 2.22 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.219 -0.925 . . . . 0.0 109.512 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 294' ' ' GLN . . . . . 0.436 ' O ' ' CG ' ' A' ' 295' ' ' PHE . 60.0 tt0 -169.39 162.16 10.17 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.295 -0.878 . . . . 0.0 109.324 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 295' ' ' PHE . . . . . 0.436 ' CG ' ' O ' ' A' ' 294' ' ' GLN . 78.3 m-85 -154.72 -167.08 2.49 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.268 -0.895 . . . . 0.0 109.241 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -158.46 86.74 0.87 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.255 -0.903 . . . . 0.0 109.542 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 297' ' ' GLU . . . . . 0.467 ' CD ' ' N ' ' A' ' 297' ' ' GLU . 10.2 mp0 49.98 -145.4 0.45 Allowed 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.24 -0.912 . . . . 0.0 109.493 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 298' ' ' GLN . . . . . . . . . . . . . 8.9 tp-100 -162.51 -46.28 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.293 -0.879 . . . . 0.0 109.532 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 299' ' ' VAL . . . . . 0.454 HG23 ' H ' ' A' ' 300' ' ' SER . 2.4 m -70.26 -106.14 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 121.249 -0.907 . . . . 0.0 109.345 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 300' ' ' SER . . . . . 0.454 ' H ' HG23 ' A' ' 299' ' ' VAL . 3.9 t 60.89 -128.09 0.9 Allowed 'General case' 0 C--N 1.303 -1.443 0 C-N-CA 119.935 -0.706 . . . . 0.0 110.544 178.696 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 301' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -44.47 -27.93 0.51 Allowed 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.607 -0.683 . . . . 0.0 109.276 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 302' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -63.36 -62.65 1.54 Allowed 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 303' ' ' CYS . . . . . . . . . . . . . 78.8 m -80.64 -49.38 11.33 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.429 -0.794 . . . . 0.0 110.135 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 9.2 p -48.09 -25.96 1.65 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.402 -0.811 . . . . 0.0 110.807 -178.737 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . 23.9 mtpp -104.2 -14.7 15.74 Favored 'General case' 0 N--CA 1.504 2.235 0 O-C-N 121.04 -1.037 . . . . 0.0 108.773 178.556 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 306' ' ' MET . . . . . . . . . . . . . 26.7 tpp -72.46 -25.64 61.52 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 107.013 -1.477 . . . . 0.0 107.013 176.755 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 307' ' ' ASN . . . . . 0.465 ' O ' ' N ' ' A' ' 310' ' ' CYS . 30.2 t30 -85.87 -41.46 14.95 Favored 'General case' 0 N--CA 1.494 1.768 0 N-CA-C 106.439 -1.689 . . . . 0.0 106.439 178.333 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 308' ' ' GLN . . . . . 0.529 ' O ' ' N ' ' A' ' 310' ' ' CYS . 42.8 tt0 -35.19 -37.11 0.07 Allowed 'General case' 0 N--CA 1.505 2.286 0 CA-C-O 121.458 0.647 . . . . 0.0 109.416 178.806 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 309' ' ' VAL . . . . . 0.417 ' N ' ' O ' ' A' ' 307' ' ' ASN . 21.6 t -47.8 -13.78 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.879 0 O-C-N 121.346 -0.847 . . . . 0.0 109.051 178.748 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 310' ' ' CYS . . . . . 0.529 ' N ' ' O ' ' A' ' 308' ' ' GLN . 1.8 m -84.24 -17.06 41.02 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.482 -0.761 . . . . 0.0 109.242 179.72 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 311' ' ' GLY . . . . . . . . . . . . . . . -79.38 150.12 33.0 Favored Glycine 0 N--CA 1.489 2.229 0 N-CA-C 109.4 -1.48 . . . . 0.0 109.4 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 312' ' ' THR . . . . . . . . . . . . . 40.5 p -77.02 105.89 8.38 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.227 -1.16 . . . . 0.0 109.491 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 313' ' ' ARG . . . . . 0.415 ' HG3' HH11 ' A' ' 313' ' ' ARG . 13.0 mmm-85 . . . . . 0 N--CA 1.491 1.597 0 CA-C-O 117.991 -1.004 . . . . 0.0 109.412 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 565' ' ' ASN . . . . . . . . . . . . . 51.9 m-20 . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 566' ' ' GLY . . . . . . . . . . . . . . . 178.48 25.66 0.04 OUTLIER Glycine 0 N--CA 1.489 2.223 0 N-CA-C 109.641 -1.383 . . . . 0.0 109.641 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 567' ' ' SER . . . . . 0.404 ' OG ' ' N ' ' B' ' 568' ' ' SER . 79.7 p -67.64 -104.33 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.213 -1.169 . . . . 0.0 109.387 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 568' ' ' SER . . . . . 0.404 ' N ' ' OG ' ' B' ' 567' ' ' SER . 49.0 m -73.97 49.81 0.34 Allowed 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.183 -0.948 . . . . 0.0 109.381 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 569' ' ' LEU . . . . . . . . . . . . . 34.0 tp -64.31 123.53 19.4 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.211 -0.931 . . . . 0.0 109.279 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 570' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -168.16 -75.82 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.217 -0.927 . . . . 0.0 109.526 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 571' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -71.36 -79.72 0.07 Allowed 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.271 -0.893 . . . . 0.0 109.492 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . 52.22 -178.96 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.215 -0.928 . . . . 0.0 109.454 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 573' ' ' ASP . . . . . . . . . . . . . 43.6 m-20 52.74 83.05 0.07 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.189 -0.944 . . . . 0.0 109.507 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 574' ' ' LYS . . . . . . . . . . . . . 46.1 mtmt -69.02 132.62 46.94 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.231 -0.918 . . . . 0.0 109.484 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 575' ' ' ILE . . . . . . . . . . . . . 16.0 mm -65.65 113.33 2.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.283 -0.885 . . . . 0.0 109.41 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 576' ' ' ASN . . . . . . . . . . . . . 33.8 m120 -65.62 126.79 29.46 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.144 -0.973 . . . . 0.0 109.534 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 577' ' ' ASN . . . . . . . . . . . . . 72.3 m-80 -63.94 166.95 6.75 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.231 -0.918 . . . . 0.0 109.46 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 578' ' ' GLY . . . . . . . . . . . . . . . 179.45 -172.37 44.26 Favored Glycine 0 N--CA 1.489 2.177 0 N-CA-C 109.43 -1.468 . . . . 0.0 109.43 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 579' ' ' ASN . . . . . 0.536 ' O ' ' N ' ' B' ' 581' ' ' ASN . 26.8 m120 -157.18 -155.12 0.5 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.203 -1.174 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 580' ' ' ASP . . . . . 0.432 ' O ' ' O ' ' B' ' 581' ' ' ASN . 5.4 m-20 60.85 -74.85 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.461 -0.774 . . . . 0.0 109.845 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 581' ' ' ASN . . . . . 0.536 ' N ' ' O ' ' B' ' 579' ' ' ASN . 6.5 m120 55.23 103.16 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.127 -0.983 . . . . 0.0 109.54 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 582' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 54.18 -127.57 2.32 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.162 -0.961 . . . . 0.0 109.606 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 583' ' ' ASN . . . . . . . . . . . . . 48.3 t30 -162.2 89.09 0.69 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.222 -0.924 . . . . 0.0 109.481 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 584' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -66.2 92.39 0.18 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.253 -0.905 . . . . 0.0 109.424 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 585' ' ' ASN . . . . . . . . . . . . . 14.8 p-10 -71.07 125.02 25.77 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.224 -0.923 . . . . 0.0 109.441 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 586' ' ' ASP . . . . . 0.454 ' C ' ' H ' ' B' ' 588' ' ' VAL . 66.2 m-20 -67.21 -172.44 0.21 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.291 -0.88 . . . . 0.0 109.458 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 587' ' ' VAL . . . . . 0.412 ' H ' HG23 ' B' ' 587' ' ' VAL . 2.8 t -74.43 12.92 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.184 -0.947 . . . . 0.0 109.149 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 588' ' ' VAL . . . . . 0.454 ' H ' ' C ' ' B' ' 586' ' ' ASP . 13.5 t 53.44 67.47 3.66 Favored Pre-proline 0 C--N 1.297 -1.708 0 O-C-N 121.632 -0.667 . . . . 0.0 109.704 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 589' ' ' PRO . . . . . 0.427 ' O ' ' O ' ' B' ' 590' ' ' SER . 2.2 Cg_endo -62.55 154.17 66.56 Favored 'Trans proline' 0 C--N 1.318 -1.074 0 C-N-CA 121.392 1.395 . . . . 0.0 109.859 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 590' ' ' SER . . . . . 0.427 ' O ' ' O ' ' B' ' 589' ' ' PRO . 13.5 m 53.63 100.46 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.291 -0.881 . . . . 0.0 109.537 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 591' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -65.3 93.17 0.13 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.307 -0.87 . . . . 0.0 109.521 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 17.4 tp10 -63.74 117.51 6.99 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.261 -0.9 . . . . 0.0 109.585 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 593' ' ' GLY . . . . . . . . . . . . . . . 154.41 117.09 0.61 Allowed Glycine 0 N--CA 1.492 2.413 0 N-CA-C 109.325 -1.51 . . . . 0.0 109.325 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 594' ' ' SER . . . . . 0.431 ' C ' HD22 ' B' ' 595' ' ' LEU . 67.6 m -79.93 165.94 22.14 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.146 -1.208 . . . . 0.0 110.262 -179.693 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 595' ' ' LEU . . . . . 0.624 HD22 ' N ' ' B' ' 595' ' ' LEU . 3.7 mm? -96.15 126.9 41.69 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 179.588 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 596' ' ' LEU . . . . . . . . . . . . . 1.6 mp -129.27 150.58 50.59 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.25 -0.906 . . . . 0.0 109.781 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 597' ' ' ARG . . . . . 0.524 HH11 ' CG ' ' B' ' 597' ' ' ARG . 0.0 OUTLIER -94.26 -161.25 0.84 Allowed 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.398 -0.814 . . . . 0.0 110.27 -178.896 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 598' ' ' CYS . . . . . . . . . . . . . 2.7 p -71.1 -84.95 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.398 -0.813 . . . . 0.0 110.176 -179.388 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 599' ' ' SER . . . . . 0.459 ' O ' ' N ' ' B' ' 602' ' ' TRP . 1.1 p -45.6 -29.35 1.18 Allowed 'General case' 0 N--CA 1.496 1.874 0 CA-C-O 122.342 1.068 . . . . 0.0 108.778 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 600' ' ' GLU . . . . . . . . . . . . . 25.1 tp10 -47.78 -38.05 14.81 Favored 'General case' 0 C--N 1.303 -1.431 0 CA-C-O 122.548 1.166 . . . . 0.0 108.342 179.295 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 601' ' ' ILE . . . . . 0.592 ' O ' ' N ' ' B' ' 604' ' ' ARG . 1.3 mp -68.86 -34.6 65.27 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.109 0 N-CA-C 107.601 -1.259 . . . . 0.0 107.601 -178.722 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 602' ' ' TRP . . . . . 0.459 ' N ' ' O ' ' B' ' 599' ' ' SER . 54.4 t-105 -44.15 -36.82 2.8 Favored 'General case' 0 N--CA 1.494 1.754 0 N-CA-C 107.397 -1.335 . . . . 0.0 107.397 179.481 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 603' ' ' ASP . . . . . 0.426 ' O ' ' OG1' ' B' ' 606' ' ' THR . 27.5 t70 -68.66 -42.85 77.33 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 107.633 -1.247 . . . . 0.0 107.633 177.355 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 604' ' ' ARG . . . . . 0.592 ' N ' ' O ' ' B' ' 601' ' ' ILE . 10.8 mmt-85 -56.56 -39.9 74.25 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.151 -0.968 . . . . 0.0 109.223 178.774 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 605' ' ' ILE . . . . . . . . . . . . . 10.4 mm -66.07 -47.61 84.37 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.075 0 O-C-N 121.357 -0.84 . . . . 0.0 110.345 179.537 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 606' ' ' THR . . . . . 0.426 ' OG1' ' O ' ' B' ' 603' ' ' ASP . 37.8 p -48.12 -41.78 27.43 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.896 -1.127 . . . . 0.0 109.971 -179.33 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 607' ' ' THR . . . . . . . . . . . . . 44.6 p -44.85 -59.12 2.7 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.169 -0.957 . . . . 0.0 110.369 -179.562 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 608' ' ' HIS . . . . . . . . . . . . . 70.1 m80 -59.67 131.22 88.53 Favored Pre-proline 0 N--CA 1.491 1.599 0 O-C-N 121.051 -1.03 . . . . 0.0 109.174 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 609' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_endo -63.0 -79.55 0.01 OUTLIER 'Trans proline' 0 CA--C 1.537 0.653 0 N-CA-C 109.737 -0.909 . . . . 0.0 109.737 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 610' ' ' LYS . . . . . . . . . . . . . 25.3 pttt -84.66 82.85 8.24 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.303 -0.873 . . . . 0.0 109.381 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 611' ' ' TYR . . . . . . . . . . . . . 43.2 p90 -86.97 28.1 0.94 Allowed 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.239 -0.913 . . . . 0.0 109.704 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 612' ' ' SER . . . . . 0.513 ' C ' ' H ' ' B' ' 614' ' ' ILE . 80.4 p -86.69 -30.67 21.52 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.99 -1.069 . . . . 0.0 109.793 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 613' ' ' ASP . . . . . . . . . . . . . 43.7 m-20 -63.28 13.11 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.155 -0.965 . . . . 0.0 110.903 -179.504 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 614' ' ' ILE . . . . . 0.668 HG22 ' N ' ' B' ' 615' ' ' ASP . 68.2 mt -117.52 176.14 2.95 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.018 0 O-C-N 121.054 -1.029 . . . . 0.0 109.158 -179.7 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 615' ' ' ASP . . . . . 0.668 ' N ' HG22 ' B' ' 614' ' ' ILE . 69.7 m-20 -122.08 132.84 54.7 Favored 'General case' 0 N--CA 1.498 1.945 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 179.462 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 616' ' ' VAL . . . . . . . . . . . . . 14.3 m -77.89 -17.17 14.03 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 O-C-N 121.39 -0.819 . . . . 0.0 109.862 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 617' ' ' ASP . . . . . 0.425 ' OD1' ' N ' ' B' ' 618' ' ' GLY . 2.0 p30 -75.44 -31.86 60.47 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.168 -0.957 . . . . 0.0 110.107 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 618' ' ' GLY . . . . . 0.425 ' N ' ' OD1' ' B' ' 617' ' ' ASP . . . -68.33 -41.05 86.78 Favored Glycine 0 N--CA 1.49 2.298 0 C-N-CA 119.723 -1.227 . . . . 0.0 110.375 -179.295 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 619' ' ' LEU . . . . . 0.855 ' H ' HD22 ' B' ' 619' ' ' LEU . 1.5 mm? -70.11 -22.84 62.98 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 120.716 -1.461 . . . . 0.0 108.067 179.495 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 620' ' ' CYS . . . . . . . . . . . . . 96.4 m -69.29 -53.47 19.54 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.227 -0.921 . . . . 0.0 110.362 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 31.4 t -83.5 -1.35 53.48 Favored 'General case' 0 N--CA 1.502 2.151 0 O-C-N 120.522 -1.361 . . . . 0.0 110.806 -179.115 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 622' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -100.12 -46.66 5.24 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 120.966 -1.084 . . . . 0.0 109.76 178.166 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 623' ' ' LEU . . . . . . . . . . . . . 9.4 mp -85.55 -17.45 36.28 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 120.962 -1.086 . . . . 0.0 110.204 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 624' ' ' MET . . . . . . . . . . . . . 12.9 ttt -68.6 -29.25 67.74 Favored 'General case' 0 N--CA 1.499 2.025 0 O-C-N 120.7 -1.25 . . . . 0.0 111.293 -178.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 625' ' ' ALA . . . . . . . . . . . . . . . -105.23 -30.92 9.36 Favored 'General case' 0 N--CA 1.504 2.256 0 O-C-N 120.739 -1.226 . . . . 0.0 109.369 179.6 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 626' ' ' LYS . . . . . . . . . . . . . 66.7 mmtt -63.85 -14.5 53.66 Favored 'General case' 0 C--N 1.299 -1.614 0 N-CA-C 106.124 -1.806 . . . . 0.0 106.124 176.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 627' ' ' ALA . . . . . . . . . . . . . . . -45.86 122.41 3.75 Favored 'General case' 0 N--CA 1.492 1.641 0 CA-C-N 115.215 -0.902 . . . . 0.0 111.956 -179.504 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 628' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -94.98 88.4 5.24 Favored 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 106.325 -1.731 . . . . 0.0 106.325 176.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 629' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -58.67 138.92 56.71 Favored 'General case' 0 C--N 1.299 -1.625 0 CA-C-O 122.431 1.11 . . . . 0.0 112.334 -176.577 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 630' ' ' SER . . . . . . . . . . . . . 3.6 t -142.1 162.69 34.83 Favored 'General case' 0 N--CA 1.493 1.725 0 N-CA-C 107.347 -1.353 . . . . 0.0 107.347 178.274 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 631' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -69.09 -34.4 75.06 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.444 -1.41 . . . . 0.0 110.518 -178.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 632' ' ' ARG . . . . . 0.572 HH11 ' CG ' ' B' ' 632' ' ' ARG . 3.1 mtt-85 -70.9 -17.27 62.71 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.855 -1.153 . . . . 0.0 108.856 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 633' ' ' GLY . . . . . . . . . . . . . . . 143.82 179.9 20.71 Favored Glycine 0 N--CA 1.496 2.633 0 N-CA-C 108.722 -1.751 . . . . 0.0 108.722 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 634' ' ' VAL . . . . . 0.468 HG22 ' N ' ' B' ' 635' ' ' VAL . 3.2 p -79.33 160.42 4.35 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.39 0 O-C-N 120.685 -1.479 . . . . 0.0 110.015 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 635' ' ' VAL . . . . . 0.468 ' N ' HG22 ' B' ' 634' ' ' VAL . 19.4 m -150.5 143.56 17.18 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 N-CA-C 107.929 -1.138 . . . . 0.0 107.929 177.722 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 636' ' ' ILE . . . . . . . . . . . . . 80.8 mt -130.99 147.54 33.07 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.051 0 O-C-N 121.25 -0.906 . . . . 0.0 109.959 -178.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 637' ' ' ASN . . . . . 0.507 ' ND2' ' OE1' ' B' ' 639' ' ' GLU . 59.9 t30 -88.83 136.83 32.8 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.247 -0.908 . . . . 0.0 109.054 179.429 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -48.59 -10.6 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.472 -0.768 . . . . 0.0 110.992 -179.326 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 639' ' ' GLU . . . . . 0.528 ' OE1' ' N ' ' B' ' 639' ' ' GLU . 11.5 mp0 -80.83 -19.81 43.81 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.9 -1.125 . . . . 0.0 110.663 -179.645 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 640' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -86.81 -44.64 11.58 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 120.311 -1.493 . . . . 0.0 108.722 178.292 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 641' ' ' VAL . . . . . 0.424 ' H ' HG12 ' B' ' 641' ' ' VAL . 0.8 OUTLIER -66.67 -44.52 89.64 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 120.876 -1.14 . . . . 0.0 108.45 178.34 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 642' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -60.51 -35.81 76.86 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.119 -0.988 . . . . 0.0 109.752 -179.471 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 643' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -83.23 -18.85 37.79 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.024 -1.048 . . . . 0.0 108.832 178.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 644' ' ' ALA . . . . . . . . . . . . . . . -86.65 -38.98 16.53 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 120.814 -1.179 . . . . 0.0 109.163 178.535 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 645' ' ' LEU . . . . . 0.519 ' O ' ' N ' ' B' ' 647' ' ' LYS . 44.4 mt -77.61 -68.02 0.66 Allowed 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.576 -1.328 . . . . 0.0 108.805 178.732 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 646' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -45.43 -15.22 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.171 -0.955 . . . . 0.0 110.508 -179.196 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 647' ' ' LYS . . . . . 0.519 ' N ' ' O ' ' B' ' 645' ' ' LEU . 77.4 tttt -94.38 -11.88 29.03 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.003 -1.061 . . . . 0.0 109.753 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 648' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -109.84 18.49 20.1 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.474 -0.766 . . . . 0.0 109.424 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 649' ' ' MET . . . . . . . . . . . . . 6.5 mmt -96.56 99.73 11.35 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.284 -0.885 . . . . 0.0 109.227 179.556 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 650' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 . . . . . 0 N--CA 1.49 1.53 0 CA-C-O 117.958 -1.02 . . . . 0.0 109.506 -179.933 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 279' ' ' ASN . . . . . 0.464 ' C ' ' H ' ' A' ' 281' ' ' ASP . 6.9 p30 . . . . . 0 N--CA 1.489 1.517 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 280' ' ' LEU . . . . . 0.582 HD12 ' N ' ' A' ' 280' ' ' LEU . 8.1 mp -73.14 14.8 0.26 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.299 -0.876 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 281' ' ' ASP . . . . . 0.464 ' H ' ' C ' ' A' ' 279' ' ' ASN . 1.2 m-20 -75.43 25.71 0.1 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.212 -0.93 . . . . 0.0 109.521 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 282' ' ' SER . . . . . 0.468 ' H ' ' C ' ' A' ' 280' ' ' LEU . 52.2 m -65.08 -75.89 0.08 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.253 -0.904 . . . . 0.0 109.498 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 283' ' ' ASN . . . . . . . . . . . . . 49.0 t30 -170.57 104.57 0.27 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.272 -0.893 . . . . 0.0 109.435 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 284' ' ' MET . . . . . . . . . . . . . 28.6 ttt -168.91 -75.89 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.246 -0.909 . . . . 0.0 109.509 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 285' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -68.99 174.53 4.41 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.175 -0.953 . . . . 0.0 109.483 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 286' ' ' SER . . . . . . . . . . . . . 21.0 p 54.29 -158.32 0.18 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.266 -0.897 . . . . 0.0 109.479 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 287' ' ' ASN . . . . . . . . . . . . . 31.2 m120 -157.19 -159.8 0.89 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.273 -0.892 . . . . 0.0 109.354 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 288' ' ' ASP . . . . . 0.44 ' N ' ' OD1' ' A' ' 288' ' ' ASP . 23.3 p-10 -170.51 -4.77 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.236 -0.915 . . . . 0.0 109.487 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 289' ' ' PHE . . . . . . . . . . . . . 66.5 t80 -66.76 -35.56 80.37 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.251 -0.905 . . . . 0.0 109.452 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 290' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -169.43 -27.74 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.199 -0.938 . . . . 0.0 109.459 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 291' ' ' PHE . . . . . . . . . . . . . 56.9 t80 53.43 91.04 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.205 -0.934 . . . . 0.0 109.398 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 292' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -160.74 -12.91 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.251 -0.906 . . . . 0.0 109.444 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 293' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -74.73 44.94 0.23 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.333 -0.855 . . . . 0.0 109.417 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 294' ' ' GLN . . . . . . . . . . . . . 36.3 mm-40 51.94 -134.79 1.58 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.311 -0.868 . . . . 0.0 109.546 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 295' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -65.72 -162.05 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.315 -0.866 . . . . 0.0 108.743 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 296' ' ' ASP . . . . . 0.479 ' CG ' ' H ' ' A' ' 297' ' ' GLU . 3.8 p-10 -164.8 -102.94 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.104 -0.998 . . . . 0.0 109.751 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 297' ' ' GLU . . . . . 0.479 ' H ' ' CG ' ' A' ' 296' ' ' ASP . 58.3 mm-40 52.76 -158.48 0.14 Allowed 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.274 -0.891 . . . . 0.0 109.52 -179.763 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 298' ' ' GLN . . . . . 0.48 ' N ' ' CD ' ' A' ' 298' ' ' GLN . 0.3 OUTLIER -164.99 -8.76 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.181 -0.949 . . . . 0.0 109.577 -179.884 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 299' ' ' VAL . . . . . 0.508 ' C ' ' H ' ' A' ' 301' ' ' GLU . 12.7 m 34.4 68.96 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.502 2.156 0 CA-C-O 122.116 0.96 . . . . 0.0 111.254 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 300' ' ' SER . . . . . 0.512 ' O ' ' N ' ' A' ' 302' ' ' PHE . 5.1 m -75.83 29.9 0.11 Allowed 'General case' 0 C--N 1.293 -1.854 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 178.367 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 301' ' ' GLU . . . . . 0.508 ' H ' ' C ' ' A' ' 299' ' ' VAL . 37.1 tt0 -44.96 -22.73 0.1 Allowed 'General case' 0 N--CA 1.494 1.748 0 N-CA-C 107.209 -1.404 . . . . 0.0 107.209 178.603 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 302' ' ' PHE . . . . . 0.512 ' N ' ' O ' ' A' ' 300' ' ' SER . 63.0 t80 -75.47 -56.41 4.73 Favored 'General case' 0 C--N 1.303 -1.447 0 CA-C-N 114.821 -1.082 . . . . 0.0 109.314 178.55 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 303' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -76.85 -37.88 54.77 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.125 -0.985 . . . . 0.0 109.28 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 11.0 t -56.48 -30.97 63.56 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.471 -0.768 . . . . 0.0 110.793 -179.072 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . 54.0 mttp -95.14 -15.37 23.39 Favored 'General case' 0 N--CA 1.503 2.196 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 178.305 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 306' ' ' MET . . . . . . . . . . . . . 24.8 ttm -73.08 -22.8 60.52 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 107.347 -1.353 . . . . 0.0 107.347 177.202 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 307' ' ' ASN . . . . . 0.439 ' O ' ' N ' ' A' ' 310' ' ' CYS . 2.6 t30 -83.94 -38.24 21.29 Favored 'General case' 0 N--CA 1.491 1.591 0 N-CA-C 106.195 -1.78 . . . . 0.0 106.195 178.853 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 308' ' ' GLN . . . . . 0.529 ' O ' ' N ' ' A' ' 310' ' ' CYS . 70.8 tp60 -38.09 -44.2 0.81 Allowed 'General case' 0 N--CA 1.503 2.194 0 CA-C-N 115.791 -0.641 . . . . 0.0 109.329 178.468 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 309' ' ' VAL . . . . . 0.43 ' H ' HG23 ' A' ' 309' ' ' VAL . 10.8 t -45.75 -16.22 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.499 1.989 0 CA-C-O 122.024 0.916 . . . . 0.0 109.383 179.372 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 310' ' ' CYS . . . . . 0.529 ' N ' ' O ' ' A' ' 308' ' ' GLN . 63.1 m -94.1 -37.45 11.6 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 179.287 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 311' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 308' ' ' GLN . . . -61.49 120.82 24.04 Favored Glycine 0 N--CA 1.491 2.33 0 N-CA-C 109.676 -1.37 . . . . 0.0 109.676 -179.84 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 312' ' ' THR . . . . . . . . . . . . . 79.4 p -84.89 120.6 26.66 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.241 -1.152 . . . . 0.0 109.461 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 313' ' ' ARG . . . . . . . . . . . . . 37.4 ttm180 . . . . . 0 N--CA 1.492 1.643 0 CA-C-O 117.936 -1.03 . . . . 0.0 109.44 179.902 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 565' ' ' ASN . . . . . . . . . . . . . 11.3 m-20 . . . . . 0 N--CA 1.49 1.557 0 CA-C-O 121.309 0.576 . . . . 0.0 109.493 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 566' ' ' GLY . . . . . 0.418 ' O ' ' N ' ' B' ' 568' ' ' SER . . . 178.81 -117.85 0.58 Allowed Glycine 0 N--CA 1.49 2.264 0 N-CA-C 109.503 -1.439 . . . . 0.0 109.503 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 567' ' ' SER . . . . . . . . . . . . . 89.9 p -69.2 48.56 0.07 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.268 -1.137 . . . . 0.0 109.441 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 568' ' ' SER . . . . . 0.418 ' N ' ' O ' ' B' ' 566' ' ' GLY . 40.5 t -169.24 87.47 0.17 Allowed 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.24 -0.912 . . . . 0.0 109.412 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 569' ' ' LEU . . . . . 0.581 HD22 ' N ' ' B' ' 569' ' ' LEU . 3.5 mm? -70.66 163.9 26.11 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.245 -0.91 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 570' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -169.29 -29.92 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.292 -0.88 . . . . 0.0 109.402 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 571' ' ' ASN . . . . . 0.423 ' O ' ' O ' ' B' ' 572' ' ' ALA . 7.0 m120 53.47 177.07 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.219 -0.926 . . . . 0.0 109.516 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 572' ' ' ALA . . . . . 0.423 ' O ' ' O ' ' B' ' 571' ' ' ASN . . . 56.07 167.18 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.172 -0.955 . . . . 0.0 109.608 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 573' ' ' ASP . . . . . 0.465 ' N ' ' OD1' ' B' ' 573' ' ' ASP . 25.4 p-10 -172.17 56.27 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.277 -0.889 . . . . 0.0 109.398 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 574' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -55.08 138.88 43.16 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.255 -0.903 . . . . 0.0 109.549 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 575' ' ' ILE . . . . . . . . . . . . . 8.3 pt -151.07 -39.21 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.759 0 O-C-N 121.254 -0.904 . . . . 0.0 109.5 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 576' ' ' ASN . . . . . 0.537 ' O ' ' N ' ' B' ' 578' ' ' GLY . 29.5 m120 -56.58 -176.21 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.118 -0.989 . . . . 0.0 109.404 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 577' ' ' ASN . . . . . . . . . . . . . 2.1 m120 63.93 -68.4 0.09 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.528 -0.733 . . . . 0.0 109.606 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 578' ' ' GLY . . . . . 0.537 ' N ' ' O ' ' B' ' 576' ' ' ASN . . . 79.24 -98.4 1.62 Allowed Glycine 0 N--CA 1.491 2.323 0 N-CA-C 109.577 -1.409 . . . . 0.0 109.577 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 579' ' ' ASN . . . . . 0.406 ' O ' ' OD1' ' B' ' 579' ' ' ASN . 49.3 t-20 -170.6 22.38 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.26 -1.141 . . . . 0.0 109.43 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 580' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -72.08 -41.55 67.23 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.208 -0.932 . . . . 0.0 109.416 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 581' ' ' ASN . . . . . . . . . . . . . 52.8 t30 -170.69 131.24 0.87 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.247 -0.908 . . . . 0.0 109.495 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 582' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -59.0 134.47 57.01 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.303 -0.873 . . . . 0.0 109.389 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 583' ' ' ASN . . . . . 0.471 ' CG ' ' H ' ' B' ' 584' ' ' ASP . 12.3 t-20 -170.0 -174.61 1.82 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.269 -0.894 . . . . 0.0 109.353 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 584' ' ' ASP . . . . . 0.471 ' H ' ' CG ' ' B' ' 583' ' ' ASN . 6.2 p-10 -161.16 -107.22 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.226 -0.921 . . . . 0.0 109.376 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 585' ' ' ASN . . . . . 0.472 ' O ' ' ND2' ' B' ' 585' ' ' ASN . 0.5 OUTLIER -172.9 56.82 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.234 -0.916 . . . . 0.0 109.481 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 586' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -56.54 169.12 0.49 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.322 -0.861 . . . . 0.0 109.451 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 587' ' ' VAL . . . . . . . . . . . . . 1.6 m -148.67 113.43 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 121.252 -0.905 . . . . 0.0 109.127 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 588' ' ' VAL . . . . . 0.485 ' O ' ' N ' ' B' ' 590' ' ' SER . 3.8 m -91.87 151.39 42.05 Favored Pre-proline 0 N--CA 1.494 1.726 0 O-C-N 121.218 -0.926 . . . . 0.0 108.818 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 589' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -57.43 83.29 0.04 OUTLIER 'Trans proline' 0 C--N 1.323 -0.816 0 C-N-CA 120.837 1.025 . . . . 0.0 109.484 179.731 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 590' ' ' SER . . . . . 0.517 ' O ' ' N ' ' B' ' 592' ' ' GLU . 1.5 t 175.24 95.46 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.223 -0.923 . . . . 0.0 109.368 -179.665 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 591' ' ' LYS . . . . . 0.46 ' O ' ' N ' ' B' ' 593' ' ' GLY . 13.5 ptpt -64.09 73.93 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.157 -0.965 . . . . 0.0 109.32 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 592' ' ' GLU . . . . . 0.517 ' N ' ' O ' ' B' ' 590' ' ' SER . 33.7 tt0 -56.02 90.4 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.194 -0.941 . . . . 0.0 109.273 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 593' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' B' ' 591' ' ' LYS . . . -169.41 75.71 0.11 Allowed Glycine 0 N--CA 1.489 2.203 0 N-CA-C 109.504 -1.438 . . . . 0.0 109.504 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 594' ' ' SER . . . . . 0.427 ' C ' HD22 ' B' ' 595' ' ' LEU . 11.5 p -76.64 165.32 24.92 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.224 -1.162 . . . . 0.0 110.17 -179.743 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 595' ' ' LEU . . . . . 0.746 HD22 ' N ' ' B' ' 595' ' ' LEU . 2.9 mm? -94.85 121.1 36.11 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 179.711 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 596' ' ' LEU . . . . . 0.533 HD21 HH21 ' B' ' 604' ' ' ARG . 0.0 OUTLIER -128.17 153.53 46.78 Favored 'General case' 0 N--CA 1.507 2.388 0 O-C-N 121.292 -0.88 . . . . 0.0 109.459 -179.804 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 597' ' ' ARG . . . . . 0.751 HH21 ' H ' ' B' ' 634' ' ' VAL . 0.0 OUTLIER -88.03 -144.7 0.14 Allowed 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.339 -0.851 . . . . 0.0 110.186 -179.472 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 598' ' ' CYS . . . . . 0.478 ' O ' ' N ' ' B' ' 600' ' ' GLU . 1.8 p -88.85 -87.19 0.17 Allowed 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.201 -0.937 . . . . 0.0 110.399 -178.659 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 599' ' ' SER . . . . . 0.45 ' O ' ' N ' ' B' ' 602' ' ' TRP . 29.2 t -45.42 -21.57 0.1 Allowed 'General case' 0 N--CA 1.498 1.934 0 CA-C-O 122.187 0.994 . . . . 0.0 108.758 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 600' ' ' GLU . . . . . 0.478 ' N ' ' O ' ' B' ' 598' ' ' CYS . 5.4 tm-20 -45.9 -42.59 12.88 Favored 'General case' 0 C--N 1.303 -1.442 0 CA-C-O 122.958 1.361 . . . . 0.0 108.49 178.761 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 601' ' ' ILE . . . . . 0.565 ' O ' ' N ' ' B' ' 604' ' ' ARG . 1.4 mp -68.69 -32.38 54.74 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.105 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 -178.301 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 602' ' ' TRP . . . . . 0.45 ' N ' ' O ' ' B' ' 599' ' ' SER . 60.4 t-105 -45.89 -37.28 6.13 Favored 'General case' 0 N--CA 1.495 1.825 0 N-CA-C 107.325 -1.361 . . . . 0.0 107.325 179.274 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 603' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -68.84 -41.58 78.3 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 107.564 -1.273 . . . . 0.0 107.564 177.478 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 604' ' ' ARG . . . . . 0.565 ' N ' ' O ' ' B' ' 601' ' ' ILE . 28.0 mmt180 -57.58 -40.41 78.94 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.326 -0.859 . . . . 0.0 109.12 178.865 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 605' ' ' ILE . . . . . . . . . . . . . 31.1 mt -68.92 -48.34 70.95 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 121.358 -0.839 . . . . 0.0 110.522 179.377 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 606' ' ' THR . . . . . . . . . . . . . 25.0 p -47.67 -41.47 22.5 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.764 -1.21 . . . . 0.0 109.994 -179.246 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 607' ' ' THR . . . . . 0.446 ' C ' ' HD1' ' B' ' 608' ' ' HIS . 43.8 p -78.16 13.79 1.37 Allowed 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.138 -0.976 . . . . 0.0 109.991 -179.765 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 608' ' ' HIS . . . . . 0.512 ' CD2' ' O ' ' B' ' 604' ' ' ARG . 3.5 m-70 -120.62 82.48 33.68 Favored Pre-proline 0 N--CA 1.501 2.116 0 O-C-N 121.383 -0.823 . . . . 0.0 110.383 -179.499 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 609' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_exo -57.09 -0.25 0.27 Allowed 'Trans proline' 0 C--N 1.321 -0.903 0 C-N-CA 121.482 1.455 . . . . 0.0 110.169 179.166 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 610' ' ' LYS . . . . . 0.499 ' H ' ' C ' ' B' ' 608' ' ' HIS . 45.2 mtpt -83.22 43.36 0.87 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.001 -1.062 . . . . 0.0 109.226 179.526 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 611' ' ' TYR . . . . . 0.554 ' O ' ' N ' ' B' ' 613' ' ' ASP . 0.4 OUTLIER -67.63 -10.14 49.45 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.376 -0.828 . . . . 0.0 108.913 179.914 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 612' ' ' SER . . . . . 0.425 ' O ' ' O ' ' B' ' 613' ' ' ASP . 50.7 m -55.67 78.75 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.522 -0.737 . . . . 0.0 110.468 -179.166 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 613' ' ' ASP . . . . . 0.554 ' N ' ' O ' ' B' ' 611' ' ' TYR . 10.3 t70 59.46 122.64 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.587 -0.695 . . . . 0.0 110.241 179.337 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 614' ' ' ILE . . . . . . . . . . . . . 19.5 tt -144.99 -0.23 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.881 0 O-C-N 121.329 -0.857 . . . . 0.0 109.692 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 615' ' ' ASP . . . . . . . . . . . . . 13.3 t0 64.59 83.73 0.16 Allowed 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.272 -0.893 . . . . 0.0 109.237 -179.503 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 616' ' ' VAL . . . . . 0.408 ' O ' ' SG ' ' B' ' 620' ' ' CYS . 20.2 t -80.86 -18.36 11.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.537 -0.727 . . . . 0.0 109.61 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 617' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -74.61 -37.91 62.72 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.204 -0.935 . . . . 0.0 110.087 -179.689 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 618' ' ' GLY . . . . . . . . . . . . . . . -70.63 -46.55 46.44 Favored Glycine 0 N--CA 1.49 2.262 0 C-N-CA 119.773 -1.203 . . . . 0.0 110.114 -179.587 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 619' ' ' LEU . . . . . 0.436 HD23 ' N ' ' B' ' 620' ' ' CYS . 0.0 OUTLIER -65.04 -19.38 65.97 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.043 -1.269 . . . . 0.0 108.526 -179.555 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 620' ' ' CYS . . . . . 0.436 ' N ' HD23 ' B' ' 619' ' ' LEU . 34.4 m -71.4 -44.41 64.98 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.942 -1.099 . . . . 0.0 109.234 179.372 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 36.1 t -82.42 -0.34 45.68 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.068 -1.02 . . . . 0.0 108.746 179.207 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 622' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -98.24 -45.35 6.22 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.482 -0.761 . . . . 0.0 109.185 178.537 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 623' ' ' LEU . . . . . . . . . . . . . 10.6 mp -86.04 -27.17 24.94 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 120.606 -1.309 . . . . 0.0 109.595 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 624' ' ' MET . . . . . . . . . . . . . 21.0 ttt -71.53 -32.24 67.94 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.285 -0.884 . . . . 0.0 112.514 -177.145 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 625' ' ' ALA . . . . . . . . . . . . . . . -101.88 -8.07 21.92 Favored 'General case' 0 N--CA 1.508 2.454 0 O-C-N 120.554 -1.341 . . . . 0.0 110.203 -179.618 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 626' ' ' LYS . . . . . . . . . . . . . 53.7 mttm -85.96 -4.64 59.21 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 105.871 -1.9 . . . . 0.0 105.871 176.148 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 627' ' ' ALA . . . . . . . . . . . . . . . -43.48 139.78 1.95 Allowed 'General case' 0 N--CA 1.489 1.515 0 CA-C-N 114.985 -1.007 . . . . 0.0 111.455 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 628' ' ' LYS . . . . . . . . . . . . . 50.3 tttp -113.88 92.12 3.87 Favored 'General case' 0 N--CA 1.497 1.876 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 178.52 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 629' ' ' CYS . . . . . . . . . . . . . 88.8 m -54.18 116.52 2.64 Favored 'General case' 0 N--CA 1.493 1.684 0 CA-C-O 122.353 1.073 . . . . 0.0 111.616 -178.138 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 630' ' ' SER . . . . . . . . . . . . . 40.1 t -142.84 159.87 41.41 Favored 'General case' 0 N--CA 1.493 1.721 0 N-CA-C 107.902 -1.147 . . . . 0.0 107.902 178.628 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 631' ' ' GLU . . . . . 0.515 ' C ' ' H ' ' B' ' 633' ' ' GLY . 6.9 pt-20 -63.86 -22.99 67.18 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.44 -1.413 . . . . 0.0 109.223 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 52.4 mtp180 -79.29 34.39 0.25 Allowed 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 177.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 633' ' ' GLY . . . . . 0.515 ' H ' ' C ' ' B' ' 631' ' ' GLU . . . 70.74 -170.35 46.56 Favored Glycine 0 N--CA 1.49 2.283 0 N-CA-C 107.487 -2.245 . . . . 0.0 107.487 -178.298 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 634' ' ' VAL . . . . . 0.751 ' H ' HH21 ' B' ' 597' ' ' ARG . 54.8 t -77.4 142.22 14.52 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.438 0 O-C-N 120.399 -1.648 . . . . 0.0 109.052 179.427 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 26.0 m -137.38 139.69 43.25 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.04 0 O-C-N 121.114 -0.991 . . . . 0.0 109.425 179.344 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 636' ' ' ILE . . . . . 0.465 ' O ' HD12 ' B' ' 596' ' ' LEU . 88.8 mt -128.7 152.9 37.49 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.022 0 O-C-N 121.62 -0.675 . . . . 0.0 109.362 -179.571 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 637' ' ' ASN . . . . . 0.508 ' O ' ' N ' ' B' ' 639' ' ' GLU . 7.4 m-20 -85.02 124.49 31.77 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.005 -1.059 . . . . 0.0 109.013 179.398 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 638' ' ' ALA . . . . . 0.417 ' O ' ' OE1' ' B' ' 642' ' ' GLN . . . -46.97 -11.82 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.794 -0.566 . . . . 0.0 110.647 -179.344 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 639' ' ' GLU . . . . . 0.508 ' N ' ' O ' ' B' ' 637' ' ' ASN . 52.4 tt0 -81.56 -20.42 39.98 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.955 -1.091 . . . . 0.0 110.333 -179.543 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 640' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -82.34 -56.81 3.67 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 120.356 -1.465 . . . . 0.0 107.665 178.04 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 641' ' ' VAL . . . . . 0.606 HG13 ' N ' ' B' ' 642' ' ' GLN . 6.3 p -52.35 -50.84 36.33 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.55 0 O-C-N 120.985 -1.072 . . . . 0.0 108.427 177.604 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 642' ' ' GLN . . . . . 0.606 ' N ' HG13 ' B' ' 641' ' ' VAL . 66.0 mt-30 -49.33 -36.15 20.42 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.932 -1.105 . . . . 0.0 108.623 179.503 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 643' ' ' LEU . . . . . . . . . . . . . 50.8 mt -78.6 -20.6 50.11 Favored 'General case' 0 N--CA 1.491 1.59 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 177.712 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 644' ' ' ALA . . . . . 0.534 ' N ' ' O ' ' B' ' 641' ' ' VAL . . . -86.25 -48.28 8.67 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.993 -1.067 . . . . 0.0 108.553 177.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 645' ' ' LEU . . . . . . . . . . . . . 84.5 mt -60.63 -25.33 66.22 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.016 -1.052 . . . . 0.0 108.928 179.057 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 646' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -93.96 -8.6 39.6 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.386 -0.821 . . . . 0.0 109.601 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 647' ' ' LYS . . . . . 0.527 ' C ' ' H ' ' B' ' 649' ' ' MET . 27.2 ttpp -74.44 -83.67 0.05 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.149 -0.969 . . . . 0.0 110.383 -179.204 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 648' ' ' HIS . . . . . . . . . . . . . 2.6 p80 -67.81 29.5 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.087 -1.008 . . . . 0.0 110.495 -178.365 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 649' ' ' MET . . . . . 0.527 ' H ' ' C ' ' B' ' 647' ' ' LYS . 4.8 tpt -91.26 103.8 16.42 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.911 -1.118 . . . . 0.0 109.31 -179.712 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 650' ' ' ASN . . . . . . . . . . . . . 61.5 t-20 . . . . . 0 N--CA 1.489 1.507 0 CA-C-O 117.928 -1.034 . . . . 0.0 109.475 179.994 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 279' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 . . . . . 0 N--CA 1.492 1.63 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . 15.9 mt -69.65 -163.01 0.05 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.275 -0.891 . . . . 0.0 109.476 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 281' ' ' ASP . . . . . . . . . . . . . 53.9 m-20 -158.77 136.35 10.18 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.312 -0.867 . . . . 0.0 109.326 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 282' ' ' SER . . . . . . . . . . . . . 48.9 m -155.46 -175.42 5.42 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.265 -0.897 . . . . 0.0 109.428 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 283' ' ' ASN . . . . . . . . . . . . . 35.3 m-20 -63.88 130.44 44.13 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.232 -0.917 . . . . 0.0 109.545 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 284' ' ' MET . . . . . . . . . . . . . 43.0 mtt -153.43 43.84 0.6 Allowed 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.197 -0.939 . . . . 0.0 109.277 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 285' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -51.88 105.81 0.12 Allowed 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.216 -0.927 . . . . 0.0 109.522 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 286' ' ' SER . . . . . . . . . . . . . 40.6 m -77.16 16.76 0.53 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.274 -0.891 . . . . 0.0 109.501 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 287' ' ' ASN . . . . . . . . . . . . . 35.4 p-10 -61.6 124.49 20.81 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.272 -0.893 . . . . 0.0 109.441 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 288' ' ' ASP . . . . . 0.444 ' C ' ' H ' ' A' ' 290' ' ' ASN . 62.0 m-20 -158.23 -76.45 0.08 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.223 -0.923 . . . . 0.0 109.521 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 289' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -73.6 40.61 0.11 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.299 -0.876 . . . . 0.0 109.384 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 290' ' ' ASN . . . . . 0.501 ' O ' ' N ' ' A' ' 292' ' ' GLU . 6.4 p-10 -167.32 -52.64 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.29 -0.881 . . . . 0.0 109.349 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 291' ' ' PHE . . . . . . . . . . . . . 16.7 t80 66.09 -42.69 0.38 Allowed 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.605 -0.684 . . . . 0.0 109.681 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 292' ' ' GLU . . . . . 0.501 ' N ' ' O ' ' A' ' 290' ' ' ASN . 7.9 tp10 -70.34 -57.7 4.55 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.105 -0.997 . . . . 0.0 109.386 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 293' ' ' ASN . . . . . 0.438 ' O ' ' N ' ' A' ' 295' ' ' PHE . 36.4 t-20 -64.36 77.28 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.206 -0.934 . . . . 0.0 109.443 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 294' ' ' GLN . . . . . 0.472 ' N ' ' O ' ' A' ' 292' ' ' GLU . 18.7 tt0 -70.09 59.56 0.17 Allowed 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.165 -0.96 . . . . 0.0 109.347 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 295' ' ' PHE . . . . . 0.438 ' N ' ' O ' ' A' ' 293' ' ' ASN . 59.2 t80 -170.59 95.42 0.22 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.242 -0.911 . . . . 0.0 109.44 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 296' ' ' ASP . . . . . 0.447 ' OD1' ' N ' ' A' ' 296' ' ' ASP . 15.9 p-10 -167.23 29.71 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.171 -0.956 . . . . 0.0 109.551 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 297' ' ' GLU . . . . . 0.54 ' CD ' ' H ' ' A' ' 297' ' ' GLU . 2.6 mp0 -56.41 -104.32 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.208 -0.932 . . . . 0.0 109.483 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 298' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -84.85 -11.09 56.39 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.254 -0.904 . . . . 0.0 109.728 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 299' ' ' VAL . . . . . 0.502 ' C ' ' H ' ' A' ' 301' ' ' GLU . 18.7 t 55.32 74.26 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 121.151 -0.968 . . . . 0.0 109.81 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 300' ' ' SER . . . . . 0.528 ' C ' ' N ' ' A' ' 302' ' ' PHE . 9.8 m -75.5 30.5 0.1 Allowed 'General case' 0 C--N 1.294 -1.832 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 178.705 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 301' ' ' GLU . . . . . 0.502 ' H ' ' C ' ' A' ' 299' ' ' VAL . 1.4 pp20? -45.4 -23.76 0.24 Allowed 'General case' 0 N--CA 1.495 1.797 0 N-CA-C 106.821 -1.548 . . . . 0.0 106.821 178.145 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 302' ' ' PHE . . . . . 0.528 ' N ' ' C ' ' A' ' 300' ' ' SER . 47.0 t80 -68.74 -65.34 0.71 Allowed 'General case' 0 C--N 1.302 -1.475 0 CA-C-N 114.363 -1.29 . . . . 0.0 109.274 178.451 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 303' ' ' CYS . . . . . . . . . . . . . 5.4 t -65.41 -35.25 80.38 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.18 -0.95 . . . . 0.0 109.632 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 7.0 t -52.59 -31.67 37.47 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.59 -0.694 . . . . 0.0 111.325 -178.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . 43.0 mtpt -99.85 -14.88 18.6 Favored 'General case' 0 N--CA 1.507 2.407 0 O-C-N 120.917 -1.115 . . . . 0.0 109.257 178.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 306' ' ' MET . . . . . 0.549 ' O ' HG12 ' A' ' 309' ' ' VAL . 31.1 mmm -73.23 -24.63 60.51 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 120.317 -1.489 . . . . 0.0 107.215 176.846 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 307' ' ' ASN . . . . . 0.418 ' O ' ' C ' ' A' ' 308' ' ' GLN . 35.5 t30 -85.15 -37.8 19.77 Favored 'General case' 0 N--CA 1.495 1.804 0 N-CA-C 106.467 -1.679 . . . . 0.0 106.467 178.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 308' ' ' GLN . . . . . 0.559 ' O ' ' N ' ' A' ' 310' ' ' CYS . 8.0 tt0 -38.38 -38.47 0.37 Allowed 'General case' 0 N--CA 1.504 2.237 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 178.541 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 309' ' ' VAL . . . . . 0.549 HG12 ' O ' ' A' ' 306' ' ' MET . 13.5 p -45.28 -14.17 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.501 2.08 0 O-C-N 121.716 -0.615 . . . . 0.0 109.392 178.559 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 310' ' ' CYS . . . . . 0.559 ' N ' ' O ' ' A' ' 308' ' ' GLN . 3.0 t -81.95 -61.56 1.88 Allowed 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.238 -0.914 . . . . 0.0 109.761 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 311' ' ' GLY . . . . . . . . . . . . . . . -74.91 117.48 5.38 Favored Glycine 0 N--CA 1.49 2.271 0 N-CA-C 109.882 -1.287 . . . . 0.0 109.882 -179.66 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 312' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -92.93 125.29 37.45 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.304 -1.116 . . . . 0.0 109.408 179.758 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 313' ' ' ARG . . . . . 0.56 ' CG ' HH11 ' A' ' 313' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.492 1.646 0 CA-C-O 118.036 -0.983 . . . . 0.0 109.42 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 565' ' ' ASN . . . . . . . . . . . . . 51.7 t30 . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 566' ' ' GLY . . . . . . . . . . . . . . . 178.28 -26.64 0.06 OUTLIER Glycine 0 N--CA 1.491 2.344 0 N-CA-C 109.432 -1.467 . . . . 0.0 109.432 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 567' ' ' SER . . . . . . . . . . . . . 89.9 p -64.07 117.36 6.97 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.29 -1.123 . . . . 0.0 109.469 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 568' ' ' SER . . . . . . . . . . . . . 51.6 m -68.47 -14.22 62.85 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.331 -0.856 . . . . 0.0 109.469 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 569' ' ' LEU . . . . . . . . . . . . . 15.7 mt -71.58 118.99 15.09 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.299 -0.876 . . . . 0.0 109.479 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 570' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -170.23 5.92 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.233 -0.917 . . . . 0.0 109.482 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 571' ' ' ASN . . . . . . . . . . . . . 35.0 t-20 -63.04 94.21 0.07 Allowed 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.272 -0.893 . . . . 0.0 109.487 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -69.91 123.4 21.4 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.267 -0.896 . . . . 0.0 109.462 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 573' ' ' ASP . . . . . . . . . . . . . 38.2 t70 53.16 97.58 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.296 -0.877 . . . . 0.0 109.541 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 574' ' ' LYS . . . . . . . . . . . . . 59.8 mttp -65.09 104.95 0.96 Allowed 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.256 -0.902 . . . . 0.0 109.374 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 575' ' ' ILE . . . . . . . . . . . . . 8.4 pt -63.19 -116.68 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.219 -0.926 . . . . 0.0 109.498 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 576' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -58.6 119.77 7.66 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.099 -1.001 . . . . 0.0 109.439 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 577' ' ' ASN . . . . . 0.481 ' H ' ' ND2' ' B' ' 577' ' ' ASN . 3.4 p30 -75.64 -175.61 2.96 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.294 -0.879 . . . . 0.0 109.439 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 578' ' ' GLY . . . . . . . . . . . . . . . -76.68 -33.03 48.41 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.522 -1.431 . . . . 0.0 109.522 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 579' ' ' ASN . . . . . . . . . . . . . 45.8 t30 -164.42 120.84 1.57 Allowed 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.227 -1.161 . . . . 0.0 109.52 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 580' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.2 -96.74 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.25 -0.906 . . . . 0.0 109.484 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 581' ' ' ASN . . . . . . . . . . . . . 15.3 p30 -172.07 -163.44 0.25 Allowed 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.289 -0.882 . . . . 0.0 109.446 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 582' ' ' ASP . . . . . 0.45 ' CG ' ' H ' ' B' ' 583' ' ' ASN . 35.1 t70 53.96 -177.89 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.283 -0.885 . . . . 0.0 109.505 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 583' ' ' ASN . . . . . 0.45 ' H ' ' CG ' ' B' ' 582' ' ' ASP . 67.1 m-80 51.49 -106.82 0.28 Allowed 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.264 -0.898 . . . . 0.0 109.455 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 584' ' ' ASP . . . . . . . . . . . . . 21.1 p30 -67.63 169.37 9.5 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.184 -0.947 . . . . 0.0 109.466 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 585' ' ' ASN . . . . . . . . . . . . . 72.4 m-80 -158.06 -12.07 0.08 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.299 -0.875 . . . . 0.0 109.361 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 586' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -60.96 -172.1 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.245 -0.91 . . . . 0.0 109.46 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 587' ' ' VAL . . . . . . . . . . . . . 33.6 m -142.57 -147.25 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.252 -0.905 . . . . 0.0 109.175 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 588' ' ' VAL . . . . . 0.567 ' H ' ' HD2' ' B' ' 589' ' ' PRO . 5.9 t -147.14 -61.22 0.02 OUTLIER Pre-proline 0 N--CA 1.495 1.818 0 O-C-N 121.211 -0.931 . . . . 0.0 109.847 179.576 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 589' ' ' PRO . . . . . 0.567 ' HD2' ' H ' ' B' ' 588' ' ' VAL . 2.1 Cg_endo -50.98 91.92 0.03 OUTLIER 'Trans proline' 0 C--O 1.214 -0.692 0 N-CA-C 109.674 -0.933 . . . . 0.0 109.674 178.716 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 590' ' ' SER . . . . . 0.47 ' N ' ' O ' ' B' ' 588' ' ' VAL . 29.5 p -171.79 72.24 0.05 OUTLIER 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.156 -0.965 . . . . 0.0 109.559 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 591' ' ' LYS . . . . . . . . . . . . . 30.5 tptt 58.68 -123.03 1.32 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.214 -0.929 . . . . 0.0 109.187 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -176.18 69.34 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.706 -1.247 . . . . 0.0 109.371 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 593' ' ' GLY . . . . . . . . . . . . . . . 74.21 142.01 0.7 Allowed Glycine 0 N--CA 1.49 2.26 0 N-CA-C 109.326 -1.51 . . . . 0.0 109.326 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 594' ' ' SER . . . . . 0.411 ' C ' HD22 ' B' ' 595' ' ' LEU . 68.5 m -82.97 166.03 19.19 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.099 -1.236 . . . . 0.0 110.242 -179.797 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 595' ' ' LEU . . . . . 0.591 HD22 ' N ' ' B' ' 595' ' ' LEU . 3.9 mm? -96.01 125.77 40.79 Favored 'General case' 0 C--N 1.301 -1.507 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 179.699 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 596' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -128.34 152.73 47.81 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.365 -0.835 . . . . 0.0 109.558 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 597' ' ' ARG . . . . . . . . . . . . . 27.9 mtp180 -97.75 -138.03 0.28 Allowed 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.373 -0.829 . . . . 0.0 110.426 -178.803 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 598' ' ' CYS . . . . . 0.412 ' C ' ' N ' ' B' ' 600' ' ' GLU . 2.6 p -86.91 -93.71 0.09 Allowed 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.447 -0.783 . . . . 0.0 110.367 -179.014 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 599' ' ' SER . . . . . 0.424 ' O ' ' N ' ' B' ' 602' ' ' TRP . 15.2 m -44.91 -25.34 0.3 Allowed 'General case' 0 N--CA 1.497 1.923 0 CA-C-O 122.175 0.988 . . . . 0.0 109.003 -179.651 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 600' ' ' GLU . . . . . 0.415 ' OE1' ' O ' ' B' ' 600' ' ' GLU . 2.0 tm-20 -45.16 -41.81 8.47 Favored 'General case' 0 C--N 1.303 -1.434 0 CA-C-O 122.672 1.225 . . . . 0.0 108.697 178.746 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 601' ' ' ILE . . . . . 0.537 ' O ' ' N ' ' B' ' 604' ' ' ARG . 2.5 mt -70.67 -32.8 50.58 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.301 0 CA-C-N 115.474 -0.785 . . . . 0.0 108.931 -177.663 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 602' ' ' TRP . . . . . 0.424 ' N ' ' O ' ' B' ' 599' ' ' SER . 61.6 t-105 -45.33 -36.83 4.39 Favored 'General case' 0 N--CA 1.492 1.658 0 N-CA-C 107.395 -1.335 . . . . 0.0 107.395 179.397 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 603' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -70.38 -43.43 70.12 Favored 'General case' 0 C--N 1.303 -1.443 0 N-CA-C 107.798 -1.186 . . . . 0.0 107.798 177.621 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 604' ' ' ARG . . . . . 0.621 HH21 HE22 ' B' ' 642' ' ' GLN . 0.2 OUTLIER -56.14 -30.19 61.8 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.248 -0.908 . . . . 0.0 108.839 179.063 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 605' ' ' ILE . . . . . . . . . . . . . 97.2 mt -79.93 -45.25 22.88 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 O-C-N 121.261 -0.899 . . . . 0.0 110.102 179.487 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 606' ' ' THR . . . . . 0.515 ' C ' ' H ' ' B' ' 608' ' ' HIS . 30.5 p -54.19 -44.8 71.88 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.943 -1.098 . . . . 0.0 110.188 -179.253 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 607' ' ' THR . . . . . . . . . . . . . 2.4 t -57.53 2.41 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.839 -1.163 . . . . 0.0 110.394 -179.336 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 608' ' ' HIS . . . . . 0.524 ' O ' ' N ' ' B' ' 610' ' ' LYS . 63.9 t-80 -83.16 129.17 62.03 Favored Pre-proline 0 N--CA 1.491 1.615 0 N-CA-C 106.978 -1.49 . . . . 0.0 106.978 178.265 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 609' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -58.87 83.81 0.05 OUTLIER 'Trans proline' 0 C--N 1.323 -0.788 0 N-CA-C 109.045 -1.175 . . . . 0.0 109.045 -178.436 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 610' ' ' LYS . . . . . 0.524 ' N ' ' O ' ' B' ' 608' ' ' HIS . 74.3 tttt 65.19 133.29 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.514 -0.741 . . . . 0.0 109.343 -179.118 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 611' ' ' TYR . . . . . 0.437 ' O ' ' O ' ' B' ' 610' ' ' LYS . 29.5 m-85 -51.63 -176.01 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.365 0 O-C-N 121.349 -0.845 . . . . 0.0 109.185 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 612' ' ' SER . . . . . . . . . . . . . 29.8 t -157.12 -75.73 0.09 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.092 -1.005 . . . . 0.0 109.024 179.66 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 613' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -160.51 70.9 0.42 Allowed 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.262 -0.899 . . . . 0.0 109.896 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 614' ' ' ILE . . . . . 0.664 HG22 ' N ' ' B' ' 615' ' ' ASP . 76.6 mt -108.32 174.12 1.69 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.028 0 O-C-N 121.378 -0.826 . . . . 0.0 109.677 -179.553 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 615' ' ' ASP . . . . . 0.664 ' N ' HG22 ' B' ' 614' ' ' ILE . 1.1 m-20 -127.76 117.86 22.67 Favored 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 179.421 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 616' ' ' VAL . . . . . . . . . . . . . 58.9 t -82.22 -16.27 11.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.48 -0.762 . . . . 0.0 109.522 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 617' ' ' ASP . . . . . 0.494 ' OD1' ' N ' ' B' ' 618' ' ' GLY . 1.7 p30 -66.29 -46.24 77.67 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.26 -0.9 . . . . 0.0 110.783 -178.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 618' ' ' GLY . . . . . 0.494 ' N ' ' OD1' ' B' ' 617' ' ' ASP . . . -66.63 -32.91 82.86 Favored Glycine 0 N--CA 1.492 2.391 0 C-N-CA 119.773 -1.204 . . . . 0.0 110.301 -179.132 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 619' ' ' LEU . . . . . . . . . . . . . 4.3 mt -68.15 -19.78 64.84 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 120.899 -1.353 . . . . 0.0 108.184 179.53 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 620' ' ' CYS . . . . . . . . . . . . . 15.7 t -73.85 -52.52 12.75 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.539 -0.726 . . . . 0.0 110.815 -179.689 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 86.3 p -83.03 -1.78 53.57 Favored 'General case' 0 N--CA 1.503 2.178 0 O-C-N 120.642 -1.287 . . . . 0.0 110.262 -179.252 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 622' ' ' GLU . . . . . 0.426 ' OE1' ' O ' ' B' ' 618' ' ' GLY . 47.2 mt-10 -98.07 -48.14 5.24 Favored 'General case' 0 C--N 1.297 -1.705 0 O-C-N 121.275 -0.891 . . . . 0.0 109.428 178.584 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 623' ' ' LEU . . . . . 0.426 ' N ' HD12 ' B' ' 623' ' ' LEU . 7.3 mp -87.38 -19.32 28.28 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 120.861 -1.149 . . . . 0.0 110.742 -179.444 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 624' ' ' MET . . . . . 0.45 ' SD ' ' C ' ' B' ' 624' ' ' MET . 2.1 tmt? -69.49 -28.0 65.69 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 120.617 -1.302 . . . . 0.0 111.107 -178.883 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 625' ' ' ALA . . . . . 0.416 ' C ' ' N ' ' B' ' 627' ' ' ALA . . . -104.48 -39.01 6.57 Favored 'General case' 0 N--CA 1.503 2.211 0 O-C-N 120.863 -1.148 . . . . 0.0 108.865 179.308 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 626' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -61.02 -15.35 31.09 Favored 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 106.48 -1.674 . . . . 0.0 106.48 177.359 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 627' ' ' ALA . . . . . 0.416 ' N ' ' C ' ' B' ' 625' ' ' ALA . . . -47.76 147.65 1.84 Allowed 'General case' 0 N--CA 1.49 1.545 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.652 -179.557 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 628' ' ' LYS . . . . . . . . . . . . . 58.8 tttp -121.71 87.15 2.7 Favored 'General case' 0 N--CA 1.496 1.848 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 178.35 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 629' ' ' CYS . . . . . . . . . . . . . 16.6 t -50.55 133.11 25.5 Favored 'General case' 0 N--CA 1.495 1.78 0 CA-C-O 122.349 1.071 . . . . 0.0 111.931 -177.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 630' ' ' SER . . . . . . . . . . . . . 8.5 t -142.88 160.03 41.11 Favored 'General case' 0 N--CA 1.493 1.676 0 N-CA-C 107.481 -1.303 . . . . 0.0 107.481 178.223 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 631' ' ' GLU . . . . . . . . . . . . . 48.5 tt0 -65.8 -20.61 66.32 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.342 -1.474 . . . . 0.0 109.891 -179.444 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 11.1 tpt180 -82.66 -15.9 50.3 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.916 -1.115 . . . . 0.0 108.051 178.793 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 633' ' ' GLY . . . . . . . . . . . . . . . 132.67 -175.07 20.17 Favored Glycine 0 N--CA 1.497 2.764 0 N-CA-C 108.508 -1.837 . . . . 0.0 108.508 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 634' ' ' VAL . . . . . 0.47 ' H ' HG12 ' B' ' 634' ' ' VAL . 1.4 p -76.8 145.05 10.88 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.347 0 O-C-N 120.819 -1.401 . . . . 0.0 109.461 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 36.0 m -141.04 138.71 34.1 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.835 0 O-C-N 121.146 -0.971 . . . . 0.0 108.879 178.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 636' ' ' ILE . . . . . . . . . . . . . 95.2 mt -133.25 154.36 39.1 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.004 0 O-C-N 121.527 -0.733 . . . . 0.0 109.447 -179.478 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 637' ' ' ASN . . . . . 0.489 ' O ' ' N ' ' B' ' 639' ' ' GLU . 60.0 t30 -84.36 136.25 33.96 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.267 -0.896 . . . . 0.0 109.584 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -49.18 -9.47 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.614 -0.679 . . . . 0.0 110.509 179.669 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 639' ' ' GLU . . . . . 0.489 ' N ' ' O ' ' B' ' 637' ' ' ASN . 51.1 tt0 -80.94 -23.94 38.51 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.762 -1.211 . . . . 0.0 111.242 -179.321 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 640' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -85.72 -59.82 2.2 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 120.137 -1.602 . . . . 0.0 108.192 178.148 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 641' ' ' VAL . . . . . 0.663 HG13 ' N ' ' B' ' 642' ' ' GLN . 11.8 p -48.6 -52.49 8.78 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 120.957 -1.089 . . . . 0.0 108.747 178.085 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 642' ' ' GLN . . . . . 0.663 ' N ' HG13 ' B' ' 641' ' ' VAL . 8.3 tp-100 -54.84 -33.39 61.64 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.98 -1.075 . . . . 0.0 109.073 179.51 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 643' ' ' LEU . . . . . . . . . . . . . 9.6 tp -77.82 -22.74 49.54 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.239 -0.913 . . . . 0.0 108.588 178.348 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 644' ' ' ALA . . . . . . . . . . . . . . . -87.58 -53.37 4.83 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.049 -1.032 . . . . 0.0 108.655 178.144 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 645' ' ' LEU . . . . . . . . . . . . . 75.1 mt -55.88 -26.82 48.95 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.19 -0.944 . . . . 0.0 109.608 179.411 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 646' ' ' ASN . . . . . 0.467 ' ND2' ' OE1' ' B' ' 642' ' ' GLN . 83.2 m-20 -93.82 -7.38 43.5 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.0 -1.062 . . . . 0.0 110.102 -179.574 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 647' ' ' LYS . . . . . . . . . . . . . 56.0 tttm -92.79 -12.75 30.43 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.046 -1.034 . . . . 0.0 110.02 -179.647 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 648' ' ' HIS . . . . . 0.404 ' NE2' ' CD ' ' B' ' 622' ' ' GLU . 5.0 m-70 -117.22 15.17 14.92 Favored 'General case' 0 N--CA 1.502 2.168 0 O-C-N 121.355 -0.84 . . . . 0.0 109.894 -179.5 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 649' ' ' MET . . . . . . . . . . . . . 18.5 ttm -96.77 102.87 14.73 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.226 -0.921 . . . . 0.0 109.615 -179.368 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 650' ' ' ASN . . . . . . . . . . . . . 30.4 m120 . . . . . 0 N--CA 1.49 1.553 0 CA-C-O 117.998 -1.001 . . . . 0.0 109.481 179.928 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 279' ' ' ASN . . . . . . . . . . . . . 46.8 t30 . . . . . 0 N--CA 1.491 1.614 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 280' ' ' LEU . . . . . 0.415 ' O ' ' O ' ' A' ' 281' ' ' ASP . 18.5 tp -69.08 120.72 15.37 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.254 -0.903 . . . . 0.0 109.309 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 281' ' ' ASP . . . . . 0.415 ' O ' ' O ' ' A' ' 280' ' ' LEU . 18.8 t0 56.16 104.33 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.232 -0.918 . . . . 0.0 109.483 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 282' ' ' SER . . . . . . . . . . . . . 40.6 t -51.74 177.31 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.229 -0.92 . . . . 0.0 109.416 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 283' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 51.65 85.82 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.21 -0.931 . . . . 0.0 109.416 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 284' ' ' MET . . . . . . . . . . . . . 45.7 mmm -68.7 135.06 50.73 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.279 -0.888 . . . . 0.0 109.455 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 285' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -71.3 -158.61 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.223 -0.923 . . . . 0.0 109.495 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 286' ' ' SER . . . . . . . . . . . . . 51.4 p -51.13 129.07 23.45 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.236 -0.915 . . . . 0.0 109.477 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 287' ' ' ASN . . . . . . . . . . . . . 41.7 t30 -76.22 97.98 4.31 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.226 -0.921 . . . . 0.0 109.464 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 288' ' ' ASP . . . . . 0.445 ' N ' ' OD1' ' A' ' 288' ' ' ASP . 27.0 p-10 -166.3 160.94 16.31 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.265 -0.897 . . . . 0.0 109.433 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 289' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -70.88 -32.59 69.62 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.3 -0.875 . . . . 0.0 109.504 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 290' ' ' ASN . . . . . 0.405 ' CG ' ' H ' ' A' ' 291' ' ' PHE . 10.8 t-20 -67.44 -156.96 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.277 -0.889 . . . . 0.0 109.39 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 291' ' ' PHE . . . . . 0.516 ' CD2' ' O ' ' A' ' 291' ' ' PHE . 87.0 t80 -170.22 16.15 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.21 -0.931 . . . . 0.0 109.462 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 292' ' ' GLU . . . . . 0.423 ' O ' ' O ' ' A' ' 293' ' ' ASN . 11.8 pt-20 -78.56 -20.78 49.83 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.258 -0.901 . . . . 0.0 109.551 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 293' ' ' ASN . . . . . 0.423 ' O ' ' O ' ' A' ' 292' ' ' GLU . 6.1 m120 52.08 97.31 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.324 -0.86 . . . . 0.0 109.222 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 294' ' ' GLN . . . . . . . . . . . . . 51.9 tp60 -71.93 -51.05 23.99 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.245 -0.909 . . . . 0.0 109.596 -179.689 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 295' ' ' PHE . . . . . 0.516 ' O ' ' CD2' ' A' ' 295' ' ' PHE . 77.1 t80 -167.14 34.0 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.515 -0.741 . . . . 0.0 109.317 -179.737 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 296' ' ' ASP . . . . . 0.519 ' O ' ' N ' ' A' ' 298' ' ' GLN . 21.6 t70 -72.86 -103.38 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.282 -0.886 . . . . 0.0 109.5 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 297' ' ' GLU . . . . . 0.472 ' N ' ' OD2' ' A' ' 296' ' ' ASP . 8.4 pt-20 33.87 31.43 0.01 OUTLIER 'General case' 0 N--CA 1.503 2.177 0 CA-C-O 121.291 0.567 . . . . 0.0 110.93 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 298' ' ' GLN . . . . . 0.519 ' N ' ' O ' ' A' ' 296' ' ' ASP . 80.6 mt-30 -151.61 -36.42 0.13 Allowed 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.344 -0.847 . . . . 0.0 109.028 179.678 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 299' ' ' VAL . . . . . 0.434 ' O ' ' O ' ' A' ' 298' ' ' GLN . 3.7 m 34.9 97.06 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.499 1.989 0 CA-C-O 122.357 1.075 . . . . 0.0 111.077 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 300' ' ' SER . . . . . 0.56 ' C ' ' N ' ' A' ' 302' ' ' PHE . 2.4 m 166.67 22.86 0.0 OUTLIER 'General case' 0 C--N 1.294 -1.814 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.119 178.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 301' ' ' GLU . . . . . 0.612 ' H ' ' CD ' ' A' ' 301' ' ' GLU . 11.5 mp0 -49.28 -19.81 0.55 Allowed 'General case' 0 N--CA 1.493 1.675 0 N-CA-C 105.964 -1.865 . . . . 0.0 105.964 177.616 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 302' ' ' PHE . . . . . 0.56 ' N ' ' C ' ' A' ' 300' ' ' SER . 5.3 t80 -72.94 -64.78 0.9 Allowed 'General case' 0 C--N 1.306 -1.32 0 CA-C-N 114.263 -1.335 . . . . 0.0 109.377 178.299 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 303' ' ' CYS . . . . . . . . . . . . . 9.7 m -63.25 -47.55 81.96 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.238 -0.914 . . . . 0.0 109.993 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 34.5 t -49.23 -32.67 11.05 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.348 -0.845 . . . . 0.0 110.949 -179.125 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . 11.0 mptt -100.33 -13.46 18.79 Favored 'General case' 0 N--CA 1.503 2.194 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 178.414 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 306' ' ' MET . . . . . 0.576 ' O ' HG22 ' A' ' 309' ' ' VAL . 5.4 ttt -73.79 -29.13 62.01 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 120.487 -1.383 . . . . 0.0 107.523 177.292 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 307' ' ' ASN . . . . . 0.442 ' O ' ' C ' ' A' ' 308' ' ' GLN . 33.2 m120 -82.38 -40.12 21.76 Favored 'General case' 0 N--CA 1.492 1.625 0 N-CA-C 106.299 -1.741 . . . . 0.0 106.299 179.46 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 308' ' ' GLN . . . . . 0.522 ' O ' ' N ' ' A' ' 310' ' ' CYS . 1.4 tm0? -36.75 -39.71 0.23 Allowed 'General case' 0 N--CA 1.502 2.14 0 CA-C-O 121.54 0.686 . . . . 0.0 109.25 178.816 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 309' ' ' VAL . . . . . 0.576 HG22 ' O ' ' A' ' 306' ' ' MET . 17.5 m -44.66 -17.67 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.499 2.007 0 CA-C-O 121.553 0.692 . . . . 0.0 109.292 178.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 310' ' ' CYS . . . . . 0.522 ' N ' ' O ' ' A' ' 308' ' ' GLN . 7.4 m -93.21 25.94 3.1 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.546 -0.722 . . . . 0.0 109.211 179.68 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 311' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 308' ' ' GLN . . . -71.77 121.13 8.47 Favored Glycine 0 N--CA 1.49 2.3 0 N-CA-C 109.526 -1.43 . . . . 0.0 109.526 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 312' ' ' THR . . . . . . . . . . . . . 41.6 m -129.76 102.68 6.43 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.581 -0.952 . . . . 0.0 109.359 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 313' ' ' ARG . . . . . . . . . . . . . 41.4 ttp180 . . . . . 0 N--CA 1.49 1.565 0 CA-C-O 117.984 -1.007 . . . . 0.0 109.514 -179.968 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 565' ' ' ASN . . . . . . . . . . . . . 5.9 p30 . . . . . 0 N--CA 1.491 1.611 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 566' ' ' GLY . . . . . . . . . . . . . . . 65.74 178.6 8.05 Favored Glycine 0 N--CA 1.49 2.3 0 N-CA-C 109.557 -1.417 . . . . 0.0 109.557 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 567' ' ' SER . . . . . . . . . . . . . 88.3 p -63.7 -40.34 96.56 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.229 -1.159 . . . . 0.0 109.443 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 568' ' ' SER . . . . . . . . . . . . . 9.9 t 55.01 48.54 19.61 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.241 -0.912 . . . . 0.0 109.654 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 569' ' ' LEU . . . . . . . . . . . . . 35.1 mt -70.82 90.2 0.79 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.163 -0.961 . . . . 0.0 109.39 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 570' ' ' GLN . . . . . . . . . . . . . 60.6 mm-40 52.06 -140.58 0.89 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.307 -0.871 . . . . 0.0 109.464 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 571' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -66.87 131.91 46.9 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.346 -0.846 . . . . 0.0 109.482 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 572' ' ' ALA . . . . . 0.527 ' O ' ' N ' ' B' ' 574' ' ' LYS . . . -166.94 -101.64 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.284 -0.885 . . . . 0.0 109.45 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 573' ' ' ASP . . . . . . . . . . . . . 12.9 t70 61.49 -73.17 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.497 -0.752 . . . . 0.0 109.789 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 574' ' ' LYS . . . . . 0.527 ' N ' ' O ' ' B' ' 572' ' ' ALA . 95.3 mttt -47.03 -55.83 7.53 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.205 -0.934 . . . . 0.0 109.762 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 575' ' ' ILE . . . . . . . . . . . . . 91.2 mt 51.83 -88.91 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.397 -0.814 . . . . 0.0 109.512 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 576' ' ' ASN . . . . . 0.523 ' N ' ' O ' ' B' ' 574' ' ' LYS . 15.2 m120 -78.26 -98.21 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.246 -0.909 . . . . 0.0 109.395 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 577' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 50.59 -103.0 0.12 Allowed 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.293 -0.88 . . . . 0.0 109.548 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 578' ' ' GLY . . . . . 0.421 ' C ' ' H ' ' B' ' 580' ' ' ASP . . . 72.49 92.11 0.1 Allowed Glycine 0 N--CA 1.49 2.27 0 N-CA-C 109.592 -1.403 . . . . 0.0 109.592 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 579' ' ' ASN . . . . . . . . . . . . . 8.1 p-10 -66.03 2.35 1.14 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.304 -1.115 . . . . 0.0 109.543 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 580' ' ' ASP . . . . . 0.465 ' O ' ' N ' ' B' ' 582' ' ' ASP . 20.9 m-20 -63.33 166.53 6.25 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.193 -0.942 . . . . 0.0 109.51 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 581' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 -69.36 60.55 0.13 Allowed 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.189 -0.945 . . . . 0.0 109.26 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 582' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' B' ' 580' ' ' ASP . 23.9 m-20 -74.48 -3.77 32.74 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.331 -0.856 . . . . 0.0 109.216 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 583' ' ' ASN . . . . . . . . . . . . . 36.4 m120 -65.36 -2.02 2.86 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.315 -0.865 . . . . 0.0 109.482 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 584' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -170.55 -160.0 0.2 Allowed 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.221 -0.924 . . . . 0.0 109.48 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 585' ' ' ASN . . . . . . . . . . . . . 56.0 t30 -164.03 102.96 0.88 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.172 -0.955 . . . . 0.0 109.409 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 586' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -157.63 104.51 1.98 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.277 -0.889 . . . . 0.0 109.322 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 587' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -149.02 -161.65 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.4 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 588' ' ' VAL . . . . . . . . . . . . . 3.9 m -151.45 69.28 8.01 Favored Pre-proline 0 N--CA 1.492 1.667 0 O-C-N 121.3 -0.875 . . . . 0.0 109.509 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 589' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -62.13 161.33 26.84 Favored 'Trans proline' 0 C--N 1.318 -1.045 0 C-N-CA 121.423 1.415 . . . . 0.0 109.772 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 590' ' ' SER . . . . . . . . . . . . . 46.0 t -67.16 131.52 45.95 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.314 -0.866 . . . . 0.0 109.519 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 591' ' ' LYS . . . . . . . . . . . . . 9.3 ptmm? -168.85 -156.96 0.17 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.233 -0.917 . . . . 0.0 109.384 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -64.06 118.77 8.98 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.309 -0.87 . . . . 0.0 109.497 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 593' ' ' GLY . . . . . . . . . . . . . . . -162.01 82.52 0.13 Allowed Glycine 0 N--CA 1.49 2.27 0 N-CA-C 109.37 -1.492 . . . . 0.0 109.37 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 594' ' ' SER . . . . . . . . . . . . . 67.1 m -83.33 165.6 19.17 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.17 -1.194 . . . . 0.0 110.054 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 595' ' ' LEU . . . . . 0.539 ' N ' HD12 ' B' ' 595' ' ' LEU . 7.4 mp -92.08 123.61 35.56 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 179.705 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 596' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -125.94 148.0 49.35 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.348 -0.845 . . . . 0.0 109.284 -179.659 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 597' ' ' ARG . . . . . 0.536 ' NH1' ' O ' ' B' ' 632' ' ' ARG . 2.4 tpp180 -89.67 -147.72 0.18 Allowed 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.434 -0.791 . . . . 0.0 111.025 -178.201 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 598' ' ' CYS . . . . . 0.497 ' O ' ' N ' ' B' ' 600' ' ' GLU . 9.3 t -79.83 -92.25 0.05 OUTLIER 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.637 -0.665 . . . . 0.0 110.73 -178.774 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 599' ' ' SER . . . . . 0.49 ' N ' ' SG ' ' B' ' 598' ' ' CYS . 13.7 m -44.79 -20.88 0.04 OUTLIER 'General case' 0 N--CA 1.497 1.91 0 CA-C-O 122.267 1.032 . . . . 0.0 108.971 -179.525 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 600' ' ' GLU . . . . . 0.497 ' N ' ' O ' ' B' ' 598' ' ' CYS . 4.5 tp10 -48.9 -45.93 41.99 Favored 'General case' 0 C--N 1.297 -1.675 0 CA-C-O 122.96 1.362 . . . . 0.0 108.603 179.079 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 601' ' ' ILE . . . . . 0.57 ' O ' ' N ' ' B' ' 604' ' ' ARG . 1.1 mp -64.18 -33.66 63.92 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.188 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 -178.073 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 602' ' ' TRP . . . . . . . . . . . . . 48.1 t-105 -46.99 -41.33 16.12 Favored 'General case' 0 N--CA 1.493 1.712 0 N-CA-C 107.56 -1.274 . . . . 0.0 107.56 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 603' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -60.19 -41.03 92.04 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 107.138 -1.43 . . . . 0.0 107.138 177.432 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 604' ' ' ARG . . . . . 0.57 ' N ' ' O ' ' B' ' 601' ' ' ILE . 12.3 tpt180 -55.94 -46.23 78.57 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.518 -0.739 . . . . 0.0 109.091 178.6 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 605' ' ' ILE . . . . . 0.538 ' N ' HD12 ' B' ' 605' ' ' ILE . 1.8 mp -62.33 -44.87 99.65 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.92 0 O-C-N 121.237 -0.914 . . . . 0.0 109.14 178.764 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 606' ' ' THR . . . . . 0.497 ' C ' ' H ' ' B' ' 608' ' ' HIS . 66.7 p -62.0 -54.07 46.75 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.904 -1.123 . . . . 0.0 110.195 -179.062 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 607' ' ' THR . . . . . . . . . . . . . 49.0 p -66.64 12.14 0.08 Allowed 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.933 -1.104 . . . . 0.0 110.554 -179.097 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 608' ' ' HIS . . . . . 0.497 ' H ' ' C ' ' B' ' 606' ' ' THR . 0.3 OUTLIER -117.4 83.96 17.42 Favored Pre-proline 0 N--CA 1.501 2.122 0 O-C-N 121.231 -0.918 . . . . 0.0 109.799 -179.699 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 609' ' ' PRO . . . . . 0.451 ' C ' ' H ' ' B' ' 611' ' ' TYR . 3.0 Cg_exo -59.16 -2.84 1.39 Allowed 'Trans proline' 0 C--N 1.322 -0.863 0 C-N-CA 121.278 1.319 . . . . 0.0 109.842 179.673 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 610' ' ' LYS . . . . . 0.431 ' H ' ' C ' ' B' ' 608' ' ' HIS . 35.2 mtmm -65.78 0.67 1.63 Allowed 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.171 -0.955 . . . . 0.0 108.965 179.642 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 611' ' ' TYR . . . . . 0.451 ' H ' ' C ' ' B' ' 609' ' ' PRO . 0.2 OUTLIER -49.44 132.1 20.66 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 179.747 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 612' ' ' SER . . . . . . . . . . . . . 11.5 p -175.64 -22.78 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.182 -0.949 . . . . 0.0 109.134 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 613' ' ' ASP . . . . . 0.482 ' O ' ' O ' ' B' ' 614' ' ' ILE . 11.9 t0 -170.09 -87.91 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.338 -0.851 . . . . 0.0 109.152 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 614' ' ' ILE . . . . . 0.642 HG22 ' N ' ' B' ' 615' ' ' ASP . 75.4 mt 50.9 169.72 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 O-C-N 121.463 -0.773 . . . . 0.0 110.899 178.794 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 615' ' ' ASP . . . . . 0.642 ' N ' HG22 ' B' ' 614' ' ' ILE . 40.9 t0 -127.15 116.44 20.65 Favored 'General case' 0 N--CA 1.493 1.7 0 N-CA-C 107.91 -1.144 . . . . 0.0 107.91 179.324 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 616' ' ' VAL . . . . . . . . . . . . . 16.1 m -79.81 -15.97 13.07 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 121.518 -0.739 . . . . 0.0 109.452 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 617' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -70.12 -40.32 74.92 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.287 -0.883 . . . . 0.0 109.839 -179.62 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 618' ' ' GLY . . . . . . . . . . . . . . . -68.14 -41.13 87.55 Favored Glycine 0 N--CA 1.49 2.245 0 N-CA-C 110.055 -1.218 . . . . 0.0 110.055 -179.572 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 619' ' ' LEU . . . . . . . . . . . . . 9.3 mt -59.64 -28.92 67.65 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.054 -1.262 . . . . 0.0 108.823 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 620' ' ' CYS . . . . . . . . . . . . . 44.7 t -67.57 -51.65 47.98 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.397 -0.814 . . . . 0.0 110.869 -178.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 89.9 p -81.11 -2.0 46.59 Favored 'General case' 0 N--CA 1.5 2.06 0 O-C-N 120.441 -1.412 . . . . 0.0 109.811 -179.671 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 622' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -100.47 -46.98 5.05 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.268 -0.895 . . . . 0.0 109.41 178.46 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 623' ' ' LEU . . . . . . . . . . . . . 6.3 mt -86.24 -18.35 32.33 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 120.571 -1.33 . . . . 0.0 110.216 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 624' ' ' MET . . . . . 0.508 ' O ' HG11 ' A' ' 309' ' ' VAL . 1.1 tmt? -76.88 -26.47 54.22 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 120.747 -1.221 . . . . 0.0 111.75 -178.231 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 625' ' ' ALA . . . . . 0.481 ' C ' ' H ' ' B' ' 627' ' ' ALA . . . -105.45 -30.14 9.77 Favored 'General case' 0 N--CA 1.507 2.39 0 O-C-N 120.717 -1.239 . . . . 0.0 109.967 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 626' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -62.26 -8.27 5.52 Favored 'General case' 0 N--CA 1.49 1.533 0 N-CA-C 106.028 -1.842 . . . . 0.0 106.028 177.089 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 627' ' ' ALA . . . . . 0.481 ' H ' ' C ' ' B' ' 625' ' ' ALA . . . -46.08 143.67 2.21 Favored 'General case' 0 N--CA 1.49 1.542 0 CA-C-N 115.305 -0.862 . . . . 0.0 111.936 -179.686 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 628' ' ' LYS . . . . . . . . . . . . . 66.1 mmtt -118.21 96.16 5.2 Favored 'General case' 0 N--CA 1.495 1.819 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 178.435 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 629' ' ' CYS . . . . . . . . . . . . . 18.3 t -56.48 120.46 7.73 Favored 'General case' 0 N--CA 1.494 1.765 0 CA-C-O 122.333 1.063 . . . . 0.0 111.83 -178.041 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 630' ' ' SER . . . . . . . . . . . . . 45.8 t -143.06 158.89 43.19 Favored 'General case' 0 N--CA 1.495 1.784 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 178.481 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 631' ' ' GLU . . . . . 0.548 ' H ' ' CD ' ' B' ' 631' ' ' GLU . 2.4 mp0 -64.17 -23.3 67.26 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.266 -1.521 . . . . 0.0 108.87 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 632' ' ' ARG . . . . . 0.587 HH11 ' CG ' ' B' ' 632' ' ' ARG . 0.1 OUTLIER -78.09 34.78 0.2 Allowed 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 107.279 -1.378 . . . . 0.0 107.279 177.649 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 633' ' ' GLY . . . . . 0.533 ' H ' ' C ' ' B' ' 631' ' ' GLU . . . 68.74 -169.25 42.15 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 107.219 -2.353 . . . . 0.0 107.219 -178.069 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 634' ' ' VAL . . . . . . . . . . . . . 7.5 p -77.31 142.21 14.54 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.535 0 O-C-N 120.22 -1.753 . . . . 0.0 109.612 179.705 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 17.1 m -136.97 138.38 45.94 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.958 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 178.703 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 636' ' ' ILE . . . . . 0.417 HG22 ' N ' ' B' ' 637' ' ' ASN . 97.6 mt -135.32 155.06 36.67 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.975 0 O-C-N 121.494 -0.754 . . . . 0.0 109.473 -179.138 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 637' ' ' ASN . . . . . 0.457 ' O ' ' N ' ' B' ' 639' ' ' GLU . 8.3 m120 -88.59 139.0 30.92 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.157 -0.964 . . . . 0.0 110.292 -179.382 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -49.39 -9.9 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.704 -0.622 . . . . 0.0 110.893 179.508 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 639' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' B' ' 637' ' ' ASN . 7.3 tm-20 -76.26 -18.31 59.06 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.882 -1.136 . . . . 0.0 109.887 179.343 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 640' ' ' ASP . . . . . 0.525 ' OD1' ' N ' ' B' ' 640' ' ' ASP . 0.6 OUTLIER -86.93 -55.8 3.68 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 120.333 -1.479 . . . . 0.0 108.658 177.811 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 641' ' ' VAL . . . . . 0.416 HG12 ' H ' ' B' ' 641' ' ' VAL . 0.3 OUTLIER -53.93 -52.95 31.17 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 O-C-N 120.661 -1.274 . . . . 0.0 108.259 178.843 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 642' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -55.44 -34.16 64.22 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.088 -1.007 . . . . 0.0 109.194 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 643' ' ' LEU . . . . . . . . . . . . . 35.6 tp -82.06 -23.62 35.73 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.283 -0.886 . . . . 0.0 108.868 178.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 644' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' B' ' 640' ' ' ASP . . . -86.13 -40.01 16.12 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 120.927 -1.108 . . . . 0.0 108.956 178.643 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 645' ' ' LEU . . . . . 0.54 ' O ' ' N ' ' B' ' 647' ' ' LYS . 82.7 mt -70.61 -68.6 0.42 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.738 -1.226 . . . . 0.0 109.257 178.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 646' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -47.12 -9.95 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.187 -0.946 . . . . 0.0 110.744 -179.232 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 647' ' ' LYS . . . . . 0.54 ' N ' ' O ' ' B' ' 645' ' ' LEU . 52.9 tttp -88.85 -12.86 40.69 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 120.828 -1.17 . . . . 0.0 109.917 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 648' ' ' HIS . . . . . . . . . . . . . 62.4 m-70 -112.37 19.57 17.51 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 121.385 -0.822 . . . . 0.0 109.14 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 649' ' ' MET . . . . . . . . . . . . . 23.7 mmt -96.47 129.25 43.88 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.271 -0.893 . . . . 0.0 109.514 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 650' ' ' ASN . . . . . . . . . . . . . 30.3 m120 . . . . . 0 N--CA 1.491 1.59 0 CA-C-O 118.019 -0.991 . . . . 0.0 109.444 -179.942 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 279' ' ' ASN . . . . . 0.849 ' N ' HD21 ' A' ' 279' ' ' ASN . 0.5 OUTLIER . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 280' ' ' LEU . . . . . 0.439 HD12 ' N ' ' A' ' 281' ' ' ASP . 0.3 OUTLIER -163.66 9.92 0.05 Allowed 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.154 -0.967 . . . . 0.0 109.399 179.926 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 281' ' ' ASP . . . . . 0.439 ' N ' HD12 ' A' ' 280' ' ' LEU . 8.9 t0 59.27 116.93 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.388 -0.82 . . . . 0.0 109.764 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 282' ' ' SER . . . . . . . . . . . . . 37.7 m -164.22 129.61 2.86 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.214 -0.929 . . . . 0.0 109.398 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 283' ' ' ASN . . . . . . . . . . . . . 19.7 p-10 -169.47 -42.25 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.152 -0.968 . . . . 0.0 109.598 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 284' ' ' MET . . . . . . . . . . . . . 16.5 mmt -138.17 86.51 2.17 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.297 -0.877 . . . . 0.0 109.366 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 285' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -66.13 -162.05 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.239 -0.913 . . . . 0.0 109.395 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 286' ' ' SER . . . . . 0.481 ' O ' ' N ' ' A' ' 288' ' ' ASP . 1.3 m 64.93 -179.05 0.18 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.405 -0.809 . . . . 0.0 109.536 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 287' ' ' ASN . . . . . . . . . . . . . 45.8 t30 -56.27 87.48 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.275 -0.891 . . . . 0.0 109.664 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 288' ' ' ASP . . . . . 0.481 ' N ' ' O ' ' A' ' 286' ' ' SER . 43.7 p-10 -79.71 -153.68 0.08 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.224 -0.922 . . . . 0.0 109.338 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 289' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -171.13 -25.25 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.267 -0.896 . . . . 0.0 109.498 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 290' ' ' ASN . . . . . . . . . . . . . 36.6 m-20 -73.61 -20.26 60.65 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.29 -0.881 . . . . 0.0 109.601 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 291' ' ' PHE . . . . . 0.474 ' CD2' ' N ' ' A' ' 292' ' ' GLU . 80.8 t80 -76.75 -96.45 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.195 -0.941 . . . . 0.0 109.518 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 292' ' ' GLU . . . . . 0.474 ' N ' ' CD2' ' A' ' 291' ' ' PHE . 42.3 mt-10 -152.81 -50.9 0.1 Allowed 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.22 -0.925 . . . . 0.0 109.361 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 293' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -165.67 73.25 0.18 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.272 -0.893 . . . . 0.0 109.53 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 294' ' ' GLN . . . . . 0.52 ' O ' ' N ' ' A' ' 296' ' ' ASP . 61.6 mt-30 52.62 -118.45 1.33 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.2 -0.937 . . . . 0.0 109.476 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 295' ' ' PHE . . . . . . . . . . . . . 14.9 t80 66.44 -42.21 0.39 Allowed 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.508 -0.745 . . . . 0.0 109.684 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 296' ' ' ASP . . . . . 0.52 ' N ' ' O ' ' A' ' 294' ' ' GLN . 5.4 m-20 -52.62 -62.96 1.31 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.222 -0.924 . . . . 0.0 109.519 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 297' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -48.6 116.0 1.45 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.193 -0.942 . . . . 0.0 109.68 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 298' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -161.98 -36.48 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.29 -0.882 . . . . 0.0 109.34 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 299' ' ' VAL . . . . . 0.437 HG23 ' H ' ' A' ' 300' ' ' SER . 2.9 m -77.83 -108.44 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.248 -0.908 . . . . 0.0 109.209 179.766 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 300' ' ' SER . . . . . 0.532 ' O ' ' N ' ' A' ' 304' ' ' SER . 5.2 t 54.98 -133.28 1.7 Allowed 'General case' 0 C--N 1.298 -1.637 0 O-C-N 121.344 -0.847 . . . . 0.0 110.85 178.135 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 301' ' ' GLU . . . . . 0.431 ' OE2' ' O ' ' A' ' 301' ' ' GLU . 0.8 OUTLIER -45.13 -36.3 3.63 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.667 -0.646 . . . . 0.0 109.485 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 302' ' ' PHE . . . . . . . . . . . . . 31.4 t80 -61.26 -60.62 3.46 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.392 -0.818 . . . . 0.0 109.323 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 303' ' ' CYS . . . . . . . . . . . . . 7.0 t -79.53 -49.21 12.58 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.252 -0.905 . . . . 0.0 110.173 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 304' ' ' SER . . . . . 0.532 ' N ' ' O ' ' A' ' 300' ' ' SER . 31.3 t -52.89 -25.79 12.81 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.385 -0.822 . . . . 0.0 110.76 -179.124 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . 32.4 ttpt -98.57 -14.8 19.77 Favored 'General case' 0 N--CA 1.504 2.26 0 O-C-N 120.994 -1.066 . . . . 0.0 108.141 178.409 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 306' ' ' MET . . . . . . . . . . . . . 36.8 ttm -74.67 -21.41 59.43 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 176.708 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 307' ' ' ASN . . . . . 0.46 ' O ' ' N ' ' A' ' 310' ' ' CYS . 74.0 m-20 -84.62 -40.29 17.65 Favored 'General case' 0 N--CA 1.492 1.666 0 N-CA-C 106.033 -1.84 . . . . 0.0 106.033 178.296 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 308' ' ' GLN . . . . . 0.527 ' O ' ' N ' ' A' ' 311' ' ' GLY . 32.0 tp60 -38.39 -43.61 0.84 Allowed 'General case' 0 N--CA 1.502 2.139 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.375 178.22 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 309' ' ' VAL . . . . . 0.4 HG21 ' O ' ' B' ' 624' ' ' MET . 42.6 t -46.91 -16.36 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.893 0 CA-C-O 122.133 0.968 . . . . 0.0 108.951 179.497 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 310' ' ' CYS . . . . . 0.52 ' N ' ' O ' ' A' ' 308' ' ' GLN . 47.1 m -88.38 12.75 13.34 Favored 'General case' 0 C--N 1.302 -1.459 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.652 179.551 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 311' ' ' GLY . . . . . 0.527 ' N ' ' O ' ' A' ' 308' ' ' GLN . . . -84.49 118.45 4.73 Favored Glycine 0 N--CA 1.493 2.453 0 N-CA-C 109.411 -1.476 . . . . 0.0 109.411 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 312' ' ' THR . . . . . . . . . . . . . 29.5 m -77.15 127.09 32.03 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.216 -1.167 . . . . 0.0 109.444 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 313' ' ' ARG . . . . . . . . . . . . . 31.6 ptt180 . . . . . 0 N--CA 1.49 1.546 0 CA-C-O 118.036 -0.983 . . . . 0.0 109.498 -179.992 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 565' ' ' ASN . . . . . 0.406 ' C ' ' H ' ' B' ' 567' ' ' SER . 39.5 t-20 . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 566' ' ' GLY . . . . . . . . . . . . . . . 69.82 -5.77 5.73 Favored Glycine 0 N--CA 1.489 2.217 0 N-CA-C 109.588 -1.405 . . . . 0.0 109.588 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 567' ' ' SER . . . . . 0.406 ' H ' ' C ' ' B' ' 565' ' ' ASN . 13.3 t 53.21 -162.13 0.11 Allowed 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.264 -1.139 . . . . 0.0 109.439 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 568' ' ' SER . . . . . . . . . . . . . 78.3 p -73.25 -167.22 0.39 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.268 -0.895 . . . . 0.0 109.459 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 569' ' ' LEU . . . . . . . . . . . . . 55.7 tp -74.76 98.36 3.46 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.298 -0.876 . . . . 0.0 109.19 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 570' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -74.78 -14.62 60.72 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.269 -0.895 . . . . 0.0 109.548 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 571' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -58.06 -30.25 66.03 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.223 -0.923 . . . . 0.0 109.515 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -166.87 105.34 0.59 Allowed 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.185 -0.947 . . . . 0.0 109.462 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 573' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -169.69 68.77 0.06 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.225 -0.922 . . . . 0.0 109.469 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 574' ' ' LYS . . . . . 0.49 ' H ' HD12 ' B' ' 575' ' ' ILE . 77.7 tttt -167.19 45.14 0.05 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.209 -0.932 . . . . 0.0 109.343 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 575' ' ' ILE . . . . . 0.751 ' N ' HD12 ' B' ' 575' ' ' ILE . 1.7 mp -83.13 111.42 19.36 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.246 -0.909 . . . . 0.0 109.216 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 576' ' ' ASN . . . . . . . . . . . . . 68.4 m-20 -68.41 66.36 0.12 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.199 -0.938 . . . . 0.0 109.478 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 577' ' ' ASN . . . . . 0.469 ' N ' ' O ' ' B' ' 575' ' ' ILE . 15.7 p-10 -74.07 104.51 4.92 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.242 -0.912 . . . . 0.0 109.468 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 578' ' ' GLY . . . . . . . . . . . . . . . -178.74 71.19 0.07 OUTLIER Glycine 0 N--CA 1.49 2.248 0 N-CA-C 109.527 -1.429 . . . . 0.0 109.527 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 579' ' ' ASN . . . . . . . . . . . . . 46.2 t-20 52.59 92.57 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.264 -1.139 . . . . 0.0 109.485 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 580' ' ' ASP . . . . . 0.431 ' OD1' ' N ' ' B' ' 580' ' ' ASP . 18.1 p-10 -171.23 135.29 0.96 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.284 -0.885 . . . . 0.0 109.483 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 581' ' ' ASN . . . . . . . . . . . . . 63.3 t30 52.48 91.64 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.28 -0.887 . . . . 0.0 109.465 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 582' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -170.72 67.53 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.177 -0.952 . . . . 0.0 109.441 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 583' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -65.49 -34.7 78.88 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.31 -0.869 . . . . 0.0 109.449 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 584' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -61.14 153.77 24.95 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.276 -0.89 . . . . 0.0 109.455 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 585' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -62.67 -23.72 67.26 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.283 -0.886 . . . . 0.0 109.471 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 586' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -70.48 159.03 35.02 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.196 -0.94 . . . . 0.0 109.542 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 587' ' ' VAL . . . . . 0.498 HG22 ' N ' ' B' ' 588' ' ' VAL . 2.8 p -175.15 160.55 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.284 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 588' ' ' VAL . . . . . 0.498 ' N ' HG22 ' B' ' 587' ' ' VAL . 12.0 p -77.72 133.57 66.29 Favored Pre-proline 0 C--N 1.293 -1.865 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 589' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -59.9 130.68 35.82 Favored 'Trans proline' 0 C--O 1.216 -0.596 0 N-CA-C 109.612 -0.957 . . . . 0.0 109.612 179.602 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 590' ' ' SER . . . . . . . . . . . . . 25.4 t -174.46 143.55 0.83 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.236 -0.915 . . . . 0.0 109.452 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 591' ' ' LYS . . . . . 0.525 ' O ' ' N ' ' B' ' 593' ' ' GLY . 0.3 OUTLIER -172.46 52.88 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.252 -0.905 . . . . 0.0 109.445 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 79.0 mt-10 -48.96 91.67 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.28 -0.887 . . . . 0.0 109.47 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 593' ' ' GLY . . . . . 0.525 ' N ' ' O ' ' B' ' 591' ' ' LYS . . . 157.56 155.2 7.41 Favored Glycine 0 N--CA 1.488 2.133 0 N-CA-C 109.062 -1.615 . . . . 0.0 109.062 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 594' ' ' SER . . . . . . . . . . . . . 57.9 m -90.93 164.25 14.08 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.127 -1.219 . . . . 0.0 110.34 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 595' ' ' LEU . . . . . . . . . . . . . 30.4 mt -81.41 118.7 22.9 Favored 'General case' 0 C--N 1.299 -1.612 0 N-CA-C 108.75 -0.834 . . . . 0.0 108.75 179.234 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 596' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -126.98 153.88 45.31 Favored 'General case' 0 N--CA 1.506 2.341 0 O-C-N 121.461 -0.774 . . . . 0.0 109.101 -179.078 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 597' ' ' ARG . . . . . 0.572 HH11 ' CG ' ' B' ' 597' ' ' ARG . 3.4 mtt-85 -103.45 -144.48 0.36 Allowed 'General case' 0 N--CA 1.501 2.107 0 O-C-N 121.418 -0.801 . . . . 0.0 111.359 -178.309 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 598' ' ' CYS . . . . . 0.492 ' O ' ' N ' ' B' ' 600' ' ' GLU . 5.1 p -76.02 -99.73 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.619 -0.676 . . . . 0.0 111.226 -178.366 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 599' ' ' SER . . . . . 0.412 ' N ' ' SG ' ' B' ' 598' ' ' CYS . 1.8 t -43.79 -21.6 0.04 OUTLIER 'General case' 0 N--CA 1.497 1.906 0 CA-C-O 121.855 0.836 . . . . 0.0 109.526 -178.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 600' ' ' GLU . . . . . 0.492 ' N ' ' O ' ' B' ' 598' ' ' CYS . 9.6 tp10 -46.72 -40.75 13.95 Favored 'General case' 0 C--N 1.302 -1.481 0 CA-C-O 122.961 1.363 . . . . 0.0 108.459 179.039 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 601' ' ' ILE . . . . . 0.528 ' O ' ' N ' ' B' ' 604' ' ' ARG . 1.1 mp -70.51 -35.8 63.26 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.151 0 CA-C-N 115.243 -0.89 . . . . 0.0 108.932 -178.759 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 602' ' ' TRP . . . . . 0.409 ' C ' ' O ' ' B' ' 601' ' ' ILE . 72.9 t-105 -44.22 -38.07 3.57 Favored 'General case' 0 N--CA 1.496 1.837 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 603' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -69.71 -42.6 73.83 Favored 'General case' 0 C--N 1.302 -1.463 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 177.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 604' ' ' ARG . . . . . 0.528 ' N ' ' O ' ' B' ' 601' ' ' ILE . 13.6 tpt180 -58.05 -27.76 63.9 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.441 -0.787 . . . . 0.0 110.02 179.256 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 605' ' ' ILE . . . . . . . . . . . . . 69.5 mt -84.25 -42.87 17.29 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.922 0 O-C-N 121.372 -0.83 . . . . 0.0 110.637 -179.214 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 606' ' ' THR . . . . . . . . . . . . . 40.9 p -59.38 -49.42 77.86 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.936 -1.103 . . . . 0.0 110.056 -179.233 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 607' ' ' THR . . . . . 0.528 HG23 ' N ' ' B' ' 608' ' ' HIS . 8.3 t -59.7 -43.93 93.87 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.165 -0.96 . . . . 0.0 110.152 -179.394 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 608' ' ' HIS . . . . . 0.528 ' N ' HG23 ' B' ' 607' ' ' THR . 2.7 m-70 -47.03 110.07 1.2 Allowed Pre-proline 0 N--CA 1.49 1.548 0 O-C-N 121.169 -0.957 . . . . 0.0 109.821 -179.569 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 609' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -60.21 -9.12 9.65 Favored 'Trans proline' 0 C--O 1.216 -0.625 0 N-CA-C 109.208 -1.112 . . . . 0.0 109.208 179.609 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 610' ' ' LYS . . . . . 0.506 ' O ' ' O ' ' B' ' 611' ' ' TYR . 25.1 mmtm -77.78 -108.87 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 107.961 -1.125 . . . . 0.0 107.961 178.604 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 611' ' ' TYR . . . . . 0.506 ' O ' ' O ' ' B' ' 610' ' ' LYS . 59.2 t80 43.39 101.48 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.54 -0.725 . . . . 0.0 110.397 178.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 612' ' ' SER . . . . . . . . . . . . . 11.5 t -175.33 -36.14 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.519 0 O-C-N 120.647 -1.283 . . . . 0.0 109.549 179.473 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 613' ' ' ASP . . . . . . . . . . . . . 64.2 t0 -140.93 62.64 1.47 Allowed 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.287 -0.883 . . . . 0.0 109.689 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 614' ' ' ILE . . . . . 0.67 HG22 ' N ' ' B' ' 615' ' ' ASP . 94.5 mt -121.41 177.04 3.67 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.051 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 -179.691 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 615' ' ' ASP . . . . . 0.67 ' N ' HG22 ' B' ' 614' ' ' ILE . 3.6 m-20 -113.26 109.89 19.48 Favored 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 107.179 -1.415 . . . . 0.0 107.179 178.44 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 616' ' ' VAL . . . . . 0.431 ' O ' ' SG ' ' B' ' 620' ' ' CYS . 1.4 p -78.52 -16.32 13.71 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.57 0 O-C-N 121.354 -0.841 . . . . 0.0 109.16 -179.105 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 617' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -77.02 -39.21 51.02 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.308 -0.87 . . . . 0.0 110.462 -179.446 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 618' ' ' GLY . . . . . . . . . . . . . . . -69.78 -49.59 35.11 Favored Glycine 0 N--CA 1.489 2.206 0 N-CA-C 109.785 -1.326 . . . . 0.0 109.785 -179.635 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 619' ' ' LEU . . . . . 0.702 ' C ' HD12 ' B' ' 619' ' ' LEU . 3.5 pp -60.63 -21.28 62.55 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.087 -1.243 . . . . 0.0 109.278 -179.785 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 620' ' ' CYS . . . . . 0.509 ' N ' HD12 ' B' ' 619' ' ' LEU . 32.9 m -69.19 -40.75 77.86 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.862 -1.149 . . . . 0.0 109.524 179.207 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 84.1 p -81.88 -2.5 51.38 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 120.839 -1.163 . . . . 0.0 109.637 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 622' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -98.25 -47.66 5.37 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.063 -1.023 . . . . 0.0 108.683 177.043 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 623' ' ' LEU . . . . . . . . . . . . . 8.2 mp -74.81 -25.97 59.4 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.792 -1.192 . . . . 0.0 109.815 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 624' ' ' MET . . . . . 0.487 ' SD ' ' O ' ' B' ' 620' ' ' CYS . 58.5 mtp -73.66 -31.35 63.44 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.938 -1.101 . . . . 0.0 111.775 -178.114 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 625' ' ' ALA . . . . . . . . . . . . . . . -98.37 -15.8 19.56 Favored 'General case' 0 N--CA 1.504 2.244 0 O-C-N 120.726 -1.234 . . . . 0.0 108.752 179.056 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 626' ' ' LYS . . . . . . . . . . . . . 54.5 mmtt -80.89 -10.9 59.67 Favored 'General case' 0 C--N 1.299 -1.587 0 N-CA-C 104.902 -2.258 . . . . 0.0 104.902 175.158 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 627' ' ' ALA . . . . . . . . . . . . . . . -49.99 104.38 0.07 Allowed 'General case' 0 N--CA 1.489 1.488 0 CA-C-N 114.666 -1.152 . . . . 0.0 111.379 -179.606 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 628' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -80.13 89.92 5.44 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 106.706 -1.59 . . . . 0.0 106.706 177.673 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 629' ' ' CYS . . . . . . . . . . . . . 63.7 m -55.56 139.3 44.6 Favored 'General case' 0 N--CA 1.493 1.69 0 CA-C-O 122.399 1.095 . . . . 0.0 112.188 -177.314 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 630' ' ' SER . . . . . . . . . . . . . 5.3 t -141.9 162.22 36.02 Favored 'General case' 0 N--CA 1.494 1.753 0 N-CA-C 107.369 -1.345 . . . . 0.0 107.369 178.294 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 631' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -68.09 -28.7 67.57 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.463 -1.398 . . . . 0.0 110.374 -178.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 21.3 mmt180 -76.28 -16.74 59.72 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.753 -1.217 . . . . 0.0 108.622 179.483 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 633' ' ' GLY . . . . . . . . . . . . . . . 140.79 -178.41 20.1 Favored Glycine 0 N--CA 1.496 2.654 0 N-CA-C 108.466 -1.853 . . . . 0.0 108.466 -179.468 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 634' ' ' VAL . . . . . . . . . . . . . 32.1 m -78.59 157.8 4.88 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.335 0 O-C-N 120.516 -1.579 . . . . 0.0 110.155 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 1.7 m -148.26 139.03 17.26 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 178.081 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 636' ' ' ILE . . . . . . . . . . . . . 61.2 mt -129.0 144.67 37.46 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.993 0 O-C-N 121.526 -0.734 . . . . 0.0 109.503 -179.286 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 637' ' ' ASN . . . . . 0.515 ' ND2' ' O ' ' B' ' 593' ' ' GLY . 12.3 t-20 -84.01 135.78 34.3 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.298 -0.876 . . . . 0.0 108.842 179.417 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -49.34 -10.77 0.04 OUTLIER 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.363 -0.836 . . . . 0.0 109.962 -179.667 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 639' ' ' GLU . . . . . 0.498 ' N ' ' O ' ' B' ' 637' ' ' ASN . 6.1 tm-20 -83.15 -26.66 30.72 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.123 -0.986 . . . . 0.0 111.383 -178.656 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 640' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -78.11 -47.99 16.99 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 119.853 -1.779 . . . . 0.0 107.794 178.834 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 641' ' ' VAL . . . . . 0.554 HG13 ' N ' ' B' ' 642' ' ' GLN . 4.7 p -57.9 -51.36 71.52 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.623 0 O-C-N 121.256 -0.902 . . . . 0.0 108.659 177.387 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 642' ' ' GLN . . . . . 0.554 ' N ' HG13 ' B' ' 641' ' ' VAL . 26.3 mt-30 -48.1 -33.72 8.64 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 120.803 -1.185 . . . . 0.0 109.277 179.734 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 643' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -79.3 -24.73 42.65 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.273 -0.892 . . . . 0.0 109.373 178.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 644' ' ' ALA . . . . . 0.488 ' O ' ' CE1' ' B' ' 648' ' ' HIS . . . -86.2 -35.44 20.06 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 120.557 -1.339 . . . . 0.0 109.777 178.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 645' ' ' LEU . . . . . . . . . . . . . 81.3 mt -76.09 -23.68 54.99 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.763 -1.211 . . . . 0.0 109.122 179.759 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 646' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -93.53 -12.06 30.48 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.359 -0.838 . . . . 0.0 110.033 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 647' ' ' LYS . . . . . 0.426 ' C ' ' H ' ' B' ' 649' ' ' MET . 37.9 ttpt -67.7 -80.06 0.05 OUTLIER 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.994 -1.066 . . . . 0.0 110.538 -179.209 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 648' ' ' HIS . . . . . 0.51 ' CD2' ' HB2' ' B' ' 615' ' ' ASP . 0.0 OUTLIER -74.69 35.71 0.1 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.22 -0.925 . . . . 0.0 110.004 -178.696 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 649' ' ' MET . . . . . 0.426 ' H ' ' C ' ' B' ' 647' ' ' LYS . 0.8 OUTLIER -93.0 135.69 33.93 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.964 -1.085 . . . . 0.0 109.512 -179.946 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 650' ' ' ASN . . . . . . . . . . . . . 48.4 t30 . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 117.98 -1.01 . . . . 0.0 109.505 179.983 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 279' ' ' ASN . . . . . . . . . . . . . 8.1 p30 . . . . . 0 N--CA 1.49 1.554 0 CA-C-O 121.317 0.579 . . . . 0.0 109.485 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 280' ' ' LEU . . . . . 0.573 HD12 ' N ' ' A' ' 280' ' ' LEU . 8.4 mp -64.37 -75.29 0.09 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.18 -0.95 . . . . 0.0 109.264 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 281' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -70.05 -141.11 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.242 -0.911 . . . . 0.0 109.394 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 282' ' ' SER . . . . . . . . . . . . . 13.2 t 52.49 77.27 0.16 Allowed 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.23 -0.919 . . . . 0.0 109.507 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 283' ' ' ASN . . . . . 0.423 ' CG ' ' H ' ' A' ' 284' ' ' MET . 19.0 t-20 -71.01 -179.83 2.45 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.205 -0.934 . . . . 0.0 109.497 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 284' ' ' MET . . . . . 0.423 ' H ' ' CG ' ' A' ' 283' ' ' ASN . 51.4 mtm 52.77 80.37 0.1 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.247 -0.908 . . . . 0.0 109.52 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 285' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -71.7 166.11 22.61 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.28 -0.888 . . . . 0.0 109.411 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 286' ' ' SER . . . . . . . . . . . . . 9.0 m -53.36 -179.38 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.14 -0.975 . . . . 0.0 109.413 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 287' ' ' ASN . . . . . . . . . . . . . 27.3 m-20 -73.75 92.55 2.02 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.266 -0.896 . . . . 0.0 109.402 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 288' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -78.62 74.4 5.15 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.212 -0.93 . . . . 0.0 109.477 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 289' ' ' PHE . . . . . 0.522 ' CE1' ' OD1' ' A' ' 290' ' ' ASN . 46.1 p90 -77.09 -28.17 54.43 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.271 -0.893 . . . . 0.0 109.489 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 290' ' ' ASN . . . . . 0.522 ' OD1' ' CE1' ' A' ' 289' ' ' PHE . 9.0 m120 -63.17 -145.48 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.273 -0.892 . . . . 0.0 109.486 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 291' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -160.39 -60.92 0.06 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.296 -0.877 . . . . 0.0 109.462 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 292' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -60.56 -67.06 0.43 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.32 -0.863 . . . . 0.0 109.439 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 293' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -70.94 176.69 4.14 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.217 -0.927 . . . . 0.0 109.474 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 294' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -149.76 131.19 14.74 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.26 -0.9 . . . . 0.0 109.401 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 295' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -60.62 179.61 0.16 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.451 -0.78 . . . . 0.0 109.444 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . 26.3 p30 -173.84 36.37 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.45 -0.781 . . . . 0.0 109.333 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 297' ' ' GLU . . . . . . . . . . . . . 22.2 tp10 50.92 67.97 0.85 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.251 -0.906 . . . . 0.0 109.594 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 298' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -171.3 -6.55 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.324 -0.86 . . . . 0.0 109.226 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 299' ' ' VAL . . . . . 0.553 ' C ' ' H ' ' A' ' 301' ' ' GLU . 7.2 p -103.46 77.95 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.752 0 CA-C-O 122.462 1.125 . . . . 0.0 109.391 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 300' ' ' SER . . . . . 0.519 ' C ' ' N ' ' A' ' 302' ' ' PHE . 10.3 m -72.97 32.83 0.07 Allowed 'General case' 0 C--N 1.292 -1.911 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 178.275 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 301' ' ' GLU . . . . . 0.553 ' H ' ' C ' ' A' ' 299' ' ' VAL . 32.3 tt0 -44.42 -24.78 0.2 Allowed 'General case' 0 N--CA 1.494 1.775 0 N-CA-C 107.055 -1.461 . . . . 0.0 107.055 178.002 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 302' ' ' PHE . . . . . 0.519 ' N ' ' C ' ' A' ' 300' ' ' SER . 86.4 t80 -70.77 -65.32 0.75 Allowed 'General case' 0 C--N 1.299 -1.616 0 CA-C-N 114.233 -1.349 . . . . 0.0 109.818 179.402 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 303' ' ' CYS . . . . . 0.451 ' O ' ' N ' ' A' ' 306' ' ' MET . 5.2 t -66.65 -51.34 57.28 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.241 -0.912 . . . . 0.0 109.483 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 19.5 m -48.83 -25.02 1.65 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.388 -0.82 . . . . 0.0 110.163 -179.684 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 305' ' ' LYS . . . . . 0.443 ' CG ' ' O ' ' A' ' 301' ' ' GLU . 4.7 mmmm -101.14 -13.61 18.09 Favored 'General case' 0 N--CA 1.5 2.074 0 N-CA-C 108.18 -1.044 . . . . 0.0 108.18 177.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 306' ' ' MET . . . . . 0.451 ' N ' ' O ' ' A' ' 303' ' ' CYS . 9.3 ttt -74.25 -25.44 59.63 Favored 'General case' 0 C--N 1.301 -1.509 0 N-CA-C 107.702 -1.221 . . . . 0.0 107.702 177.374 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 307' ' ' ASN . . . . . 0.427 ' O ' ' C ' ' A' ' 308' ' ' GLN . 21.0 t-20 -86.72 -40.0 15.47 Favored 'General case' 0 N--CA 1.493 1.696 0 N-CA-C 106.349 -1.723 . . . . 0.0 106.349 178.395 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 308' ' ' GLN . . . . . 0.529 ' O ' ' N ' ' A' ' 310' ' ' CYS . 32.8 tt0 -36.13 -42.73 0.31 Allowed 'General case' 0 N--CA 1.501 2.102 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.057 178.852 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 309' ' ' VAL . . . . . . . . . . . . . 11.8 t -45.29 -16.74 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.499 2.011 0 CA-C-O 121.908 0.861 . . . . 0.0 109.513 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 310' ' ' CYS . . . . . 0.529 ' N ' ' O ' ' A' ' 308' ' ' GLN . 0.5 OUTLIER -88.71 14.89 9.13 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.697 -0.627 . . . . 0.0 109.498 179.476 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 311' ' ' GLY . . . . . 0.518 ' N ' ' O ' ' A' ' 308' ' ' GLN . . . -77.35 116.63 4.58 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.359 -1.497 . . . . 0.0 109.359 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 312' ' ' THR . . . . . . . . . . . . . 28.3 m -80.01 137.38 36.8 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.197 -1.178 . . . . 0.0 109.492 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 313' ' ' ARG . . . . . . . . . . . . . 37.3 ttm180 . . . . . 0 N--CA 1.49 1.53 0 CA-C-O 118.035 -0.984 . . . . 0.0 109.491 -179.98 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 565' ' ' ASN . . . . . 0.593 HD22 ' N ' ' B' ' 565' ' ' ASN . 0.9 OUTLIER . . . . . 0 N--CA 1.489 1.507 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 566' ' ' GLY . . . . . . . . . . . . . . . -63.93 136.29 40.86 Favored Glycine 0 N--CA 1.491 2.316 0 N-CA-C 109.494 -1.442 . . . . 0.0 109.494 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 567' ' ' SER . . . . . . . . . . . . . 90.3 p -64.62 -61.31 2.28 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.271 -1.135 . . . . 0.0 109.445 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 568' ' ' SER . . . . . . . . . . . . . 70.1 m -166.58 55.25 0.09 Allowed 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.264 -0.897 . . . . 0.0 109.46 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 569' ' ' LEU . . . . . 0.576 HD22 ' N ' ' B' ' 569' ' ' LEU . 3.5 mm? -70.74 98.46 1.54 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.215 -0.928 . . . . 0.0 109.119 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 570' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 52.11 22.69 1.98 Allowed 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.232 -0.917 . . . . 0.0 109.316 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 571' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -62.84 140.08 58.76 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.216 -0.928 . . . . 0.0 109.269 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -169.8 -179.95 3.47 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.222 -0.924 . . . . 0.0 109.438 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 573' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -168.58 36.23 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.301 -0.874 . . . . 0.0 109.6 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 574' ' ' LYS . . . . . . . . . . . . . 15.5 tptm -167.64 159.56 12.09 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.326 -0.859 . . . . 0.0 109.249 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 575' ' ' ILE . . . . . . . . . . . . . 4.7 tp -160.57 137.08 1.97 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.154 -0.966 . . . . 0.0 109.282 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 576' ' ' ASN . . . . . . . . . . . . . 4.1 m120 50.29 67.99 0.83 Allowed 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.256 -0.902 . . . . 0.0 109.543 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 577' ' ' ASN . . . . . . . . . . . . . 24.8 m120 -159.85 95.25 1.17 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.288 -0.883 . . . . 0.0 109.48 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 578' ' ' GLY . . . . . . . . . . . . . . . -167.29 4.35 0.05 OUTLIER Glycine 0 N--CA 1.489 2.227 0 N-CA-C 109.566 -1.414 . . . . 0.0 109.566 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 579' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -157.62 122.91 4.51 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.417 -1.049 . . . . 0.0 109.366 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 580' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -168.5 -39.29 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.182 -0.949 . . . . 0.0 109.5 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 581' ' ' ASN . . . . . 0.437 ' C ' ' H ' ' B' ' 583' ' ' ASN . 12.3 m120 -157.51 129.5 7.1 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.207 -0.933 . . . . 0.0 109.47 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 582' ' ' ASP . . . . . . . . . . . . . 46.2 m-20 -76.1 25.62 0.12 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.354 -0.841 . . . . 0.0 109.513 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 583' ' ' ASN . . . . . 0.437 ' H ' ' C ' ' B' ' 581' ' ' ASN . 17.4 p-10 -169.55 116.2 0.58 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.279 -0.888 . . . . 0.0 109.499 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 584' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -63.55 -67.73 0.4 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.29 -0.882 . . . . 0.0 109.474 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 585' ' ' ASN . . . . . . . . . . . . . 34.5 p-10 -170.18 35.77 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.245 -0.909 . . . . 0.0 109.465 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 586' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -68.06 150.76 48.02 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.279 -0.888 . . . . 0.0 109.455 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 587' ' ' VAL . . . . . 0.417 HG22 HG23 ' B' ' 588' ' ' VAL . 1.5 p -176.5 146.98 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.327 0 O-C-N 121.306 -0.871 . . . . 0.0 108.849 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 588' ' ' VAL . . . . . 0.47 ' O ' HG12 ' B' ' 588' ' ' VAL . 90.1 t 43.97 73.83 0.89 Allowed Pre-proline 0 N--CA 1.497 1.893 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 -179.676 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 589' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_exo -63.42 -179.58 0.68 Allowed 'Trans proline' 0 C--N 1.317 -1.091 0 C-N-CA 121.367 1.378 . . . . 0.0 109.759 -179.489 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 590' ' ' SER . . . . . 0.418 ' O ' ' O ' ' B' ' 591' ' ' LYS . 4.2 p 63.24 -154.23 0.33 Allowed 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.329 -0.857 . . . . 0.0 109.372 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 591' ' ' LYS . . . . . 0.483 ' C ' ' H ' ' B' ' 593' ' ' GLY . 13.9 mmmt -48.67 174.75 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.204 -0.935 . . . . 0.0 109.204 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -75.55 16.25 0.39 Allowed 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.164 -0.96 . . . . 0.0 108.854 179.406 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 593' ' ' GLY . . . . . 0.483 ' H ' ' C ' ' B' ' 591' ' ' LYS . . . 154.47 -148.2 18.4 Favored Glycine 0 N--CA 1.486 1.998 0 N-CA-C 109.023 -1.631 . . . . 0.0 109.023 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 594' ' ' SER . . . . . . . . . . . . . 65.8 m -124.8 166.25 16.56 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.686 -0.89 . . . . 0.0 110.057 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 595' ' ' LEU . . . . . 0.573 HD22 ' N ' ' B' ' 595' ' ' LEU . 3.8 mm? -94.07 124.91 38.38 Favored 'General case' 0 C--N 1.3 -1.57 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 179.364 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 596' ' ' LEU . . . . . . . . . . . . . 1.3 mp -128.54 153.7 46.92 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.34 -0.85 . . . . 0.0 109.573 -179.713 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 597' ' ' ARG . . . . . . . . . . . . . 40.3 mtp180 -102.59 -146.9 0.37 Allowed 'General case' 0 N--CA 1.501 2.113 0 CA-C-O 121.802 0.811 . . . . 0.0 111.521 -178.014 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 598' ' ' CYS . . . . . 0.615 ' SG ' ' N ' ' B' ' 599' ' ' SER . 14.8 t -69.64 -104.44 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.858 -0.526 . . . . 0.0 111.6 -177.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 599' ' ' SER . . . . . 0.615 ' N ' ' SG ' ' B' ' 598' ' ' CYS . 41.7 m -45.0 -18.0 0.02 OUTLIER 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.129 -0.982 . . . . 0.0 109.487 -178.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 600' ' ' GLU . . . . . 0.524 ' N ' ' O ' ' B' ' 598' ' ' CYS . 8.6 tp10 -46.41 -40.46 12.19 Favored 'General case' 0 C--N 1.3 -1.578 0 CA-C-O 122.341 1.067 . . . . 0.0 109.015 179.389 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 601' ' ' ILE . . . . . 0.576 ' O ' ' N ' ' B' ' 604' ' ' ARG . 1.2 mp -68.13 -35.11 70.25 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.163 0 N-CA-C 107.517 -1.29 . . . . 0.0 107.517 -178.601 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 602' ' ' TRP . . . . . 0.445 ' N ' ' O ' ' B' ' 599' ' ' SER . 46.8 t-105 -43.18 -38.05 2.34 Favored 'General case' 0 N--CA 1.494 1.729 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 179.75 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 603' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -68.88 -42.77 76.54 Favored 'General case' 0 C--N 1.304 -1.374 0 N-CA-C 107.921 -1.141 . . . . 0.0 107.921 177.569 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 604' ' ' ARG . . . . . 0.576 ' N ' ' O ' ' B' ' 601' ' ' ILE . 15.6 mmt180 -56.38 -42.71 78.33 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.371 -0.831 . . . . 0.0 109.293 178.882 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 605' ' ' ILE . . . . . . . . . . . . . 17.3 mm -57.86 -48.97 82.57 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.998 0 O-C-N 121.504 -0.747 . . . . 0.0 110.312 179.283 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 606' ' ' THR . . . . . . . . . . . . . 67.1 p -59.76 -53.58 56.27 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.911 -1.118 . . . . 0.0 110.087 -178.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 607' ' ' THR . . . . . . . . . . . . . 73.3 p -57.6 -48.81 78.37 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.018 -1.051 . . . . 0.0 110.285 -179.381 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 608' ' ' HIS . . . . . 0.408 ' CG ' ' O ' ' B' ' 604' ' ' ARG . 4.6 m-70 -43.07 106.31 0.48 Allowed Pre-proline 0 N--CA 1.495 1.779 0 O-C-N 121.389 -0.819 . . . . 0.0 110.304 -179.753 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 609' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -68.21 -28.84 33.54 Favored 'Trans proline' 0 CA--C 1.536 0.612 0 N-CA-C 109.496 -1.002 . . . . 0.0 109.496 179.636 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 610' ' ' LYS . . . . . . . . . . . . . 12.5 tptm -69.2 -8.06 42.24 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.032 -1.042 . . . . 0.0 108.928 179.581 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 611' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -48.88 125.34 10.14 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.431 -0.793 . . . . 0.0 109.237 179.658 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 612' ' ' SER . . . . . . . . . . . . . 12.2 t -172.2 -88.04 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.288 -0.882 . . . . 0.0 108.779 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 613' ' ' ASP . . . . . 0.459 ' O ' ' O ' ' B' ' 614' ' ' ILE . 2.2 m-20 -83.09 -83.88 0.13 Allowed 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.381 -0.824 . . . . 0.0 109.225 179.385 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 614' ' ' ILE . . . . . 0.602 HG22 ' N ' ' B' ' 615' ' ' ASP . 82.2 mt 53.2 166.18 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.762 0 O-C-N 121.504 -0.747 . . . . 0.0 110.831 178.886 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 615' ' ' ASP . . . . . 0.602 ' N ' HG22 ' B' ' 614' ' ' ILE . 1.2 m-20 -121.93 116.9 25.19 Favored 'General case' 0 N--CA 1.493 1.679 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 179.437 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 616' ' ' VAL . . . . . . . . . . . . . 41.6 t -80.05 -16.43 12.89 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.55 0 O-C-N 121.323 -0.861 . . . . 0.0 109.24 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 617' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -75.87 -43.65 44.52 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.247 -0.908 . . . . 0.0 110.449 -178.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 618' ' ' GLY . . . . . . . . . . . . . . . -67.19 -42.51 91.09 Favored Glycine 0 N--CA 1.491 2.349 0 N-CA-C 109.571 -1.411 . . . . 0.0 109.571 -179.711 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 619' ' ' LEU . . . . . 0.613 ' HG ' HD13 ' B' ' 623' ' ' LEU . 0.5 OUTLIER -63.4 -26.02 68.55 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.229 -1.159 . . . . 0.0 108.107 179.578 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 620' ' ' CYS . . . . . 0.486 ' O ' ' CG ' ' B' ' 624' ' ' MET . 14.3 t -67.78 -54.45 19.1 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.313 -0.867 . . . . 0.0 110.533 -179.704 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 37.5 t -76.61 -0.51 23.6 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 120.666 -1.271 . . . . 0.0 109.354 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 622' ' ' GLU . . . . . . . . . . . . . 53.8 tt0 -100.18 -43.77 6.19 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.235 -0.916 . . . . 0.0 109.069 177.683 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 623' ' ' LEU . . . . . 0.613 HD13 ' HG ' ' B' ' 619' ' ' LEU . 3.9 mp -86.15 -30.14 22.71 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 120.739 -1.225 . . . . 0.0 109.953 -179.847 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 624' ' ' MET . . . . . 0.486 ' CG ' ' O ' ' B' ' 620' ' ' CYS . 30.8 mmm -59.09 -31.94 69.35 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 121.033 -1.042 . . . . 0.0 111.967 -178.279 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 625' ' ' ALA . . . . . . . . . . . . . . . -103.62 -3.8 24.68 Favored 'General case' 0 N--CA 1.507 2.406 0 O-C-N 120.645 -1.284 . . . . 0.0 110.28 -179.708 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 626' ' ' LYS . . . . . . . . . . . . . 34.3 mmtm -88.19 -12.23 44.48 Favored 'General case' 0 N--CA 1.492 1.65 0 N-CA-C 106.756 -1.572 . . . . 0.0 106.756 176.51 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 627' ' ' ALA . . . . . . . . . . . . . . . -45.32 138.24 4.22 Favored 'General case' 0 N--CA 1.492 1.669 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.843 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 628' ' ' LYS . . . . . . . . . . . . . 51.0 mttp -117.52 93.42 4.16 Favored 'General case' 0 N--CA 1.499 1.977 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 178.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 629' ' ' CYS . . . . . . . . . . . . . 14.4 m -54.78 119.48 5.41 Favored 'General case' 0 N--CA 1.494 1.739 0 CA-C-O 122.401 1.096 . . . . 0.0 111.532 -178.152 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 630' ' ' SER . . . . . . . . . . . . . 44.6 t -142.58 160.15 40.86 Favored 'General case' 0 N--CA 1.494 1.751 0 N-CA-C 107.461 -1.311 . . . . 0.0 107.461 178.363 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 631' ' ' GLU . . . . . 0.491 ' C ' ' H ' ' B' ' 633' ' ' GLY . 8.6 pt-20 -64.3 -23.29 67.25 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.27 -1.519 . . . . 0.0 108.797 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 17.8 mmt180 -79.44 34.5 0.26 Allowed 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 107.391 -1.337 . . . . 0.0 107.391 177.688 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 633' ' ' GLY . . . . . 0.491 ' H ' ' C ' ' B' ' 631' ' ' GLU . . . 70.48 -169.7 46.86 Favored Glycine 0 N--CA 1.491 2.361 0 N-CA-C 107.633 -2.187 . . . . 0.0 107.633 -178.327 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 634' ' ' VAL . . . . . . . . . . . . . 9.2 p -78.48 141.98 14.72 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.408 0 O-C-N 120.399 -1.648 . . . . 0.0 109.293 179.495 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 31.3 m -133.36 138.3 51.47 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.155 0 O-C-N 121.242 -0.911 . . . . 0.0 108.934 178.819 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 636' ' ' ILE . . . . . . . . . . . . . 62.7 mt -129.91 153.8 39.4 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.924 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 -179.198 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 637' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -90.71 138.0 31.92 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.154 -0.966 . . . . 0.0 110.008 -179.678 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -53.57 -11.04 0.31 Allowed 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.69 -0.631 . . . . 0.0 111.092 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 639' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -78.16 -19.37 54.11 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.809 -1.182 . . . . 0.0 110.612 -179.685 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 640' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -86.48 -59.58 2.24 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 120.231 -1.543 . . . . 0.0 108.421 177.728 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 641' ' ' VAL . . . . . 0.462 ' HA ' HD11 ' B' ' 623' ' ' LEU . 1.9 p -51.01 -35.0 14.44 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 121.021 -1.049 . . . . 0.0 109.262 178.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 642' ' ' GLN . . . . . . . . . . . . . 40.0 tp60 -70.08 -35.01 73.89 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.216 -0.928 . . . . 0.0 109.011 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 643' ' ' LEU . . . . . . . . . . . . . 97.2 mt -83.72 -18.49 37.72 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.042 -1.036 . . . . 0.0 108.553 178.158 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 644' ' ' ALA . . . . . 0.422 ' O ' ' CD2' ' B' ' 648' ' ' HIS . . . -88.38 -34.47 17.57 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.989 -1.069 . . . . 0.0 109.202 178.511 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 645' ' ' LEU . . . . . 0.421 HD21 HD13 ' B' ' 619' ' ' LEU . 69.5 mt -87.3 -25.72 23.78 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.058 -1.026 . . . . 0.0 110.009 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 646' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -88.03 -12.96 42.82 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 120.912 -1.118 . . . . 0.0 109.754 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 647' ' ' LYS . . . . . . . . . . . . . 49.7 mtpt -96.16 -4.5 42.52 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.044 -1.035 . . . . 0.0 108.834 179.114 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 648' ' ' HIS . . . . . 0.422 ' CD2' ' O ' ' B' ' 644' ' ' ALA . 4.3 m-70 -113.25 12.29 18.9 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.631 -0.668 . . . . 0.0 109.416 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 649' ' ' MET . . . . . . . . . . . . . 50.6 tpp -95.48 128.87 42.69 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.285 -0.885 . . . . 0.0 109.497 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 650' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 . . . . . 0 N--CA 1.489 1.512 0 CA-C-O 118.032 -0.985 . . . . 0.0 109.411 180.0 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 279' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.49 1.57 0 CA-C-O 121.314 0.578 . . . . 0.0 109.533 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 280' ' ' LEU . . . . . 0.517 HD23 ' O ' ' A' ' 280' ' ' LEU . 1.0 OUTLIER -59.24 -37.41 77.48 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.171 -0.956 . . . . 0.0 109.037 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 281' ' ' ASP . . . . . 0.422 ' OD1' ' O ' ' A' ' 280' ' ' LEU . 44.1 m-20 -151.96 -151.88 0.4 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.187 -0.946 . . . . 0.0 109.366 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 282' ' ' SER . . . . . . . . . . . . . 50.0 m -55.52 122.22 10.78 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.285 -0.885 . . . . 0.0 109.461 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 283' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -164.85 16.34 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.274 -0.891 . . . . 0.0 109.477 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 284' ' ' MET . . . . . . . . . . . . . 25.5 mmt -75.62 58.45 1.06 Allowed 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.245 -0.909 . . . . 0.0 109.466 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 285' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -168.62 110.62 0.54 Allowed 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.167 -0.958 . . . . 0.0 109.513 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 286' ' ' SER . . . . . . . . . . . . . 31.0 t -67.87 -89.2 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.267 -0.896 . . . . 0.0 109.508 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 287' ' ' ASN . . . . . 0.403 ' O ' ' O ' ' A' ' 288' ' ' ASP . 17.3 p30 -170.78 -30.86 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.219 -0.926 . . . . 0.0 109.569 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 288' ' ' ASP . . . . . 0.514 ' O ' ' CG ' ' A' ' 289' ' ' PHE . 3.0 p30 -60.84 -152.43 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.29 -0.881 . . . . 0.0 109.482 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 289' ' ' PHE . . . . . 0.522 ' O ' ' N ' ' A' ' 291' ' ' PHE . 51.9 m-85 -156.98 -7.02 0.1 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.215 -0.928 . . . . 0.0 109.36 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 290' ' ' ASN . . . . . . . . . . . . . 29.5 t-20 51.78 -89.81 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.262 -0.899 . . . . 0.0 109.546 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 291' ' ' PHE . . . . . 0.522 ' N ' ' O ' ' A' ' 289' ' ' PHE . 58.7 t80 -160.37 -62.02 0.06 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.202 -0.936 . . . . 0.0 109.407 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 292' ' ' GLU . . . . . . . . . . . . . 69.5 tt0 -170.46 -45.81 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.348 -0.845 . . . . 0.0 109.242 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 293' ' ' ASN . . . . . 0.524 ' O ' ' N ' ' A' ' 295' ' ' PHE . 10.5 p30 -70.72 -159.27 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.27 -0.894 . . . . 0.0 109.557 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 294' ' ' GLN . . . . . 0.439 ' O ' ' O ' ' A' ' 295' ' ' PHE . 49.7 tp60 50.0 -89.8 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.332 -0.855 . . . . 0.0 109.444 -179.639 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 295' ' ' PHE . . . . . 0.524 ' N ' ' O ' ' A' ' 293' ' ' ASN . 15.5 t80 60.36 153.24 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.625 0 O-C-N 120.825 -1.172 . . . . 0.0 109.123 -179.614 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 50.3 79.59 0.08 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.202 -0.936 . . . . 0.0 109.277 -179.696 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 297' ' ' GLU . . . . . . . . . . . . . 58.8 mt-10 -73.95 136.31 43.26 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.256 -0.903 . . . . 0.0 109.764 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 298' ' ' GLN . . . . . 0.458 ' O ' ' C ' ' A' ' 299' ' ' VAL . 13.2 pt20 -164.21 -49.18 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.263 -0.898 . . . . 0.0 109.479 179.641 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 299' ' ' VAL . . . . . 0.512 ' C ' ' H ' ' A' ' 301' ' ' GLU . 4.1 m 31.34 82.83 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.505 2.279 0 CA-C-O 121.881 0.848 . . . . 0.0 111.417 179.672 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 300' ' ' SER . . . . . 0.552 ' C ' ' N ' ' A' ' 302' ' ' PHE . 15.7 m -73.54 26.57 0.07 Allowed 'General case' 0 C--N 1.296 -1.732 0 C-N-CA 119.609 -0.836 . . . . 0.0 108.951 178.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 301' ' ' GLU . . . . . 0.512 ' H ' ' C ' ' A' ' 299' ' ' VAL . 23.4 tp10 -46.35 -20.23 0.1 Allowed 'General case' 0 N--CA 1.493 1.709 0 N-CA-C 106.912 -1.514 . . . . 0.0 106.912 177.799 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 302' ' ' PHE . . . . . 0.552 ' N ' ' C ' ' A' ' 300' ' ' SER . 14.2 t80 -72.46 -57.33 4.26 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-N 114.677 -1.147 . . . . 0.0 109.711 178.841 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 303' ' ' CYS . . . . . 0.429 ' O ' ' OD1' ' A' ' 307' ' ' ASN . 23.5 m -74.84 -26.6 59.82 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.922 -1.111 . . . . 0.0 109.584 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 304' ' ' SER . . . . . 0.406 ' H ' ' HG ' ' A' ' 304' ' ' SER . 4.7 m -60.51 -37.34 80.8 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.361 -0.837 . . . . 0.0 111.233 -178.781 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . 34.4 mtmt -95.13 -19.01 20.46 Favored 'General case' 0 N--CA 1.506 2.347 0 O-C-N 120.841 -1.162 . . . . 0.0 108.617 178.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 306' ' ' MET . . . . . . . . . . . . . 10.2 ttm -71.7 -22.76 61.6 Favored 'General case' 0 C--N 1.296 -1.743 0 N-CA-C 107.008 -1.478 . . . . 0.0 107.008 177.126 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 307' ' ' ASN . . . . . 0.429 ' OD1' ' O ' ' A' ' 303' ' ' CYS . 5.9 m-20 -79.71 -39.58 30.86 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 106.03 -1.841 . . . . 0.0 106.03 178.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 308' ' ' GLN . . . . . 0.545 ' O ' ' N ' ' A' ' 310' ' ' CYS . 19.2 tt0 -37.4 -39.39 0.29 Allowed 'General case' 0 N--CA 1.506 2.337 0 CA-C-O 121.647 0.736 . . . . 0.0 109.022 178.071 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 309' ' ' VAL . . . . . . . . . . . . . 21.9 t -46.47 -13.4 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.5 2.027 0 C-N-CA 120.184 -0.607 . . . . 0.0 109.366 179.039 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 310' ' ' CYS . . . . . 0.545 ' N ' ' O ' ' A' ' 308' ' ' GLN . 5.4 t -84.71 -62.16 1.61 Allowed 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.524 -0.735 . . . . 0.0 109.618 179.215 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 311' ' ' GLY . . . . . . . . . . . . . . . -108.17 133.32 11.59 Favored Glycine 0 N--CA 1.498 2.8 0 N-CA-C 109.607 -1.397 . . . . 0.0 109.607 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 312' ' ' THR . . . . . . . . . . . . . 56.0 m -80.78 89.72 5.81 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.299 -1.118 . . . . 0.0 109.295 179.789 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 313' ' ' ARG . . . . . . . . . . . . . 1.8 ttt-85 . . . . . 0 N--CA 1.49 1.53 0 CA-C-O 117.904 -1.046 . . . . 0.0 109.499 -179.855 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 565' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 566' ' ' GLY . . . . . 0.452 ' O ' ' N ' ' B' ' 568' ' ' SER . . . 179.34 69.83 0.07 OUTLIER Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.543 -1.423 . . . . 0.0 109.543 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 567' ' ' SER . . . . . . . . . . . . . 88.1 p -70.56 54.9 0.16 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.315 -1.109 . . . . 0.0 109.491 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 568' ' ' SER . . . . . 0.452 ' N ' ' O ' ' B' ' 566' ' ' GLY . 75.0 m -66.14 -92.66 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.249 -0.907 . . . . 0.0 109.424 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 569' ' ' LEU . . . . . . . . . . . . . 14.4 mt -71.57 110.56 6.22 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.258 -0.901 . . . . 0.0 109.449 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 570' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -68.18 -85.59 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.273 -0.892 . . . . 0.0 109.45 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 571' ' ' ASN . . . . . . . . . . . . . 68.0 m-20 52.3 46.65 26.26 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.302 -0.874 . . . . 0.0 109.469 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -171.26 -56.02 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.25 -0.906 . . . . 0.0 109.449 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 573' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 53.09 -162.55 0.1 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.163 -0.961 . . . . 0.0 109.474 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 574' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -70.44 -36.64 74.07 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.33 -0.857 . . . . 0.0 109.389 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 575' ' ' ILE . . . . . . . . . . . . . 16.1 tt -171.77 161.06 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.335 -0.853 . . . . 0.0 109.487 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 576' ' ' ASN . . . . . . . . . . . . . 18.0 p30 -158.4 -158.19 0.69 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.295 -0.878 . . . . 0.0 109.344 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 577' ' ' ASN . . . . . 0.455 ' C ' ' H ' ' B' ' 579' ' ' ASN . 29.5 t-20 -162.64 142.36 9.33 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.168 -0.958 . . . . 0.0 109.553 179.765 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 578' ' ' GLY . . . . . . . . . . . . . . . -74.17 37.28 0.94 Allowed Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.443 -1.463 . . . . 0.0 109.443 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 579' ' ' ASN . . . . . 0.455 ' H ' ' C ' ' B' ' 577' ' ' ASN . 44.9 t30 -64.99 -77.54 0.06 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.23 -1.159 . . . . 0.0 109.557 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 580' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -74.44 49.18 0.37 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.205 -0.934 . . . . 0.0 109.525 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 581' ' ' ASN . . . . . . . . . . . . . 26.3 m-20 52.83 16.03 0.63 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.296 -0.877 . . . . 0.0 109.507 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 582' ' ' ASP . . . . . 0.49 ' OD1' ' N ' ' B' ' 583' ' ' ASN . 47.3 t0 54.04 -133.54 1.74 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.298 -0.876 . . . . 0.0 109.494 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 583' ' ' ASN . . . . . 0.49 ' N ' ' OD1' ' B' ' 582' ' ' ASP . 31.2 m120 -69.31 -84.75 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.326 -0.858 . . . . 0.0 109.323 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 584' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -157.21 146.83 20.43 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.275 -0.89 . . . . 0.0 109.42 179.761 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 585' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 -77.21 80.08 3.73 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.29 -0.881 . . . . 0.0 109.588 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 586' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 52.65 -153.48 0.23 Allowed 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.256 -0.902 . . . . 0.0 109.34 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 587' ' ' VAL . . . . . 0.566 HG22 ' N ' ' B' ' 588' ' ' VAL . 5.6 p -172.8 164.54 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.393 0 O-C-N 121.289 -0.882 . . . . 0.0 108.736 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 588' ' ' VAL . . . . . 0.566 ' N ' HG22 ' B' ' 587' ' ' VAL . 32.5 t -136.58 85.23 25.67 Favored Pre-proline 0 N--CA 1.498 1.932 0 O-C-N 121.753 -0.592 . . . . 0.0 109.624 -179.38 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 589' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -64.52 156.53 60.17 Favored 'Trans proline' 0 C--N 1.32 -0.924 0 C-N-CA 121.183 1.255 . . . . 0.0 109.788 -179.482 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 590' ' ' SER . . . . . 0.516 ' C ' ' H ' ' B' ' 592' ' ' GLU . 66.9 m -165.64 177.9 7.02 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.17 -0.956 . . . . 0.0 109.637 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 591' ' ' LYS . . . . . . . . . . . . . 41.4 tttp 65.55 -10.36 0.21 Allowed 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.556 -0.715 . . . . 0.0 110.077 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 592' ' ' GLU . . . . . 0.516 ' H ' ' C ' ' B' ' 590' ' ' SER . 28.7 tt0 43.79 54.13 5.78 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.369 -0.832 . . . . 0.0 110.024 179.741 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 593' ' ' GLY . . . . . 0.426 ' O ' ' O ' ' B' ' 592' ' ' GLU . . . 62.75 138.45 0.01 OUTLIER Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.426 -1.47 . . . . 0.0 109.426 -179.808 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 594' ' ' SER . . . . . 0.413 ' C ' HD22 ' B' ' 595' ' ' LEU . 61.6 m -77.83 166.85 22.4 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.152 -1.205 . . . . 0.0 110.227 -179.765 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 595' ' ' LEU . . . . . 0.711 HD22 ' N ' ' B' ' 595' ' ' LEU . 3.1 mm? -93.22 119.7 32.69 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 596' ' ' LEU . . . . . 0.773 HD11 ' HB2' ' B' ' 638' ' ' ALA . 0.2 OUTLIER -127.75 158.33 37.95 Favored 'General case' 0 N--CA 1.508 2.438 0 O-C-N 121.297 -0.877 . . . . 0.0 109.626 -179.833 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 597' ' ' ARG . . . . . 0.504 HH11 ' CG ' ' B' ' 597' ' ' ARG . 0.1 OUTLIER -100.91 -144.83 0.34 Allowed 'General case' 0 N--CA 1.5 2.058 0 O-C-N 121.39 -0.819 . . . . 0.0 110.448 -179.046 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 598' ' ' CYS . . . . . 0.497 ' O ' ' N ' ' B' ' 600' ' ' GLU . 4.6 p -81.98 -95.77 0.05 OUTLIER 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.359 -0.838 . . . . 0.0 110.948 -178.433 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 599' ' ' SER . . . . . 0.476 ' O ' ' N ' ' B' ' 602' ' ' TRP . 29.0 t -44.4 -21.19 0.04 OUTLIER 'General case' 0 N--CA 1.498 1.967 0 CA-C-O 122.208 1.004 . . . . 0.0 108.981 -179.387 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 600' ' ' GLU . . . . . 0.497 ' N ' ' O ' ' B' ' 598' ' ' CYS . 7.7 tp10 -47.32 -36.0 8.77 Favored 'General case' 0 C--N 1.304 -1.401 0 CA-C-O 122.799 1.285 . . . . 0.0 108.037 178.551 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 601' ' ' ILE . . . . . 0.56 ' O ' ' N ' ' B' ' 604' ' ' ARG . 1.3 mp -72.33 -33.01 44.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.055 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 -178.497 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 602' ' ' TRP . . . . . 0.527 ' CD1' ' OG1' ' B' ' 606' ' ' THR . 52.0 t-105 -45.61 -36.68 4.92 Favored 'General case' 0 N--CA 1.492 1.658 0 N-CA-C 107.323 -1.362 . . . . 0.0 107.323 179.597 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 603' ' ' ASP . . . . . . . . . . . . . 29.4 t0 -70.78 -41.56 71.54 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 107.724 -1.213 . . . . 0.0 107.724 177.464 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 604' ' ' ARG . . . . . 0.56 ' N ' ' O ' ' B' ' 601' ' ' ILE . 18.3 mmt-85 -59.25 -38.42 80.01 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.283 -0.886 . . . . 0.0 109.379 179.076 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 605' ' ' ILE . . . . . . . . . . . . . 73.2 mt -87.19 -50.67 13.69 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.971 0 O-C-N 121.674 -0.641 . . . . 0.0 111.223 -179.409 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 606' ' ' THR . . . . . 0.527 ' OG1' ' CD1' ' B' ' 602' ' ' TRP . 90.2 m -45.37 -30.04 1.22 Allowed 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.08 -1.013 . . . . 0.0 110.651 -178.6 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 607' ' ' THR . . . . . 0.556 HG23 ' N ' ' B' ' 608' ' ' HIS . 14.7 t -54.99 -45.03 74.98 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.075 -1.016 . . . . 0.0 110.388 -179.261 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 608' ' ' HIS . . . . . 0.556 ' N ' HG23 ' B' ' 607' ' ' THR . 89.9 m-70 -59.89 133.8 89.7 Favored Pre-proline 0 N--CA 1.491 1.579 0 O-C-N 121.092 -1.005 . . . . 0.0 109.774 -179.13 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 609' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_endo -64.0 -66.25 0.05 OUTLIER 'Trans proline' 0 C--O 1.214 -0.678 0 C-N-CA 120.848 1.032 . . . . 0.0 109.897 179.198 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 610' ' ' LYS . . . . . 0.478 ' C ' ' N ' ' B' ' 612' ' ' SER . 12.9 mptt -45.48 -64.23 0.77 Allowed 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.329 -0.857 . . . . 0.0 109.598 -179.626 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 611' ' ' TYR . . . . . 0.553 ' O ' ' CG ' ' B' ' 611' ' ' TYR . 12.0 t80 51.58 10.32 0.09 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.25 -0.906 . . . . 0.0 109.03 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 612' ' ' SER . . . . . 0.478 ' N ' ' C ' ' B' ' 610' ' ' LYS . 19.3 m -89.79 -43.88 10.35 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.057 -1.027 . . . . 0.0 109.534 179.646 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 613' ' ' ASP . . . . . 0.479 ' O ' ' O ' ' B' ' 614' ' ' ILE . 3.5 m-20 -61.98 -141.43 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.234 -0.916 . . . . 0.0 109.492 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 614' ' ' ILE . . . . . 0.57 HG22 ' N ' ' B' ' 615' ' ' ASP . 73.9 mt 53.1 165.07 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 O-C-N 121.415 -0.803 . . . . 0.0 110.628 179.105 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 615' ' ' ASP . . . . . 0.57 ' N ' HG22 ' B' ' 614' ' ' ILE . 0.8 OUTLIER -123.87 124.95 43.77 Favored 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 179.542 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 616' ' ' VAL . . . . . . . . . . . . . 82.9 t -78.85 -17.64 13.33 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.355 -0.841 . . . . 0.0 109.394 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 617' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -77.08 -38.29 52.71 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.223 -0.923 . . . . 0.0 110.627 -179.379 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 618' ' ' GLY . . . . . 0.419 ' O ' ' OE1' ' B' ' 622' ' ' GLU . . . -66.38 -42.81 93.7 Favored Glycine 0 N--CA 1.492 2.376 0 N-CA-C 109.699 -1.36 . . . . 0.0 109.699 -179.549 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 619' ' ' LEU . . . . . 0.7 HD23 ' N ' ' B' ' 619' ' ' LEU . 0.1 OUTLIER -63.75 -25.62 68.27 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 107.447 -1.316 . . . . 0.0 107.447 179.46 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 620' ' ' CYS . . . . . 0.423 ' O ' ' CB ' ' B' ' 624' ' ' MET . 10.2 t -68.85 -58.64 3.89 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.387 -0.821 . . . . 0.0 110.989 -179.585 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 16.5 m -76.59 -2.08 30.75 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 120.384 -1.448 . . . . 0.0 110.338 -179.253 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 622' ' ' GLU . . . . . 0.516 ' OE2' ' NE2' ' B' ' 648' ' ' HIS . 47.7 mt-10 -99.28 -47.71 5.08 Favored 'General case' 0 C--N 1.297 -1.714 0 O-C-N 121.218 -0.926 . . . . 0.0 109.306 178.016 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 623' ' ' LEU . . . . . . . . . . . . . 7.0 mp -87.66 -20.78 25.83 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 120.671 -1.268 . . . . 0.0 110.378 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 624' ' ' MET . . . . . 0.423 ' CB ' ' O ' ' B' ' 620' ' ' CYS . 26.6 ttt -71.27 -31.66 67.76 Favored 'General case' 0 N--CA 1.502 2.16 0 O-C-N 120.664 -1.272 . . . . 0.0 112.498 -177.551 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 625' ' ' ALA . . . . . . . . . . . . . . . -102.69 -4.51 24.98 Favored 'General case' 0 N--CA 1.506 2.343 0 O-C-N 120.672 -1.267 . . . . 0.0 109.427 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 626' ' ' LYS . . . . . . . . . . . . . 46.9 mttp -95.1 -12.07 27.14 Favored 'General case' 0 N--CA 1.493 1.694 0 N-CA-C 106.722 -1.584 . . . . 0.0 106.722 176.546 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 627' ' ' ALA . . . . . . . . . . . . . . . -49.37 149.98 1.99 Allowed 'General case' 0 N--CA 1.493 1.702 0 CA-C-O 121.381 0.61 . . . . 0.0 110.683 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 628' ' ' LYS . . . . . . . . . . . . . 7.9 tppt? -124.35 93.28 3.86 Favored 'General case' 0 N--CA 1.499 2.008 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 179.304 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 629' ' ' CYS . . . . . . . . . . . . . 23.5 t -51.02 120.63 5.07 Favored 'General case' 0 N--CA 1.494 1.734 0 CA-C-O 122.355 1.074 . . . . 0.0 111.335 -178.375 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 630' ' ' SER . . . . . . . . . . . . . 23.0 p -143.13 159.29 42.56 Favored 'General case' 0 N--CA 1.493 1.679 0 N-CA-C 107.669 -1.234 . . . . 0.0 107.669 178.466 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 631' ' ' GLU . . . . . 0.466 ' C ' ' H ' ' B' ' 633' ' ' GLY . 43.2 tt0 -61.26 -23.57 65.76 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.401 -1.437 . . . . 0.0 108.688 179.803 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 632' ' ' ARG . . . . . 0.403 ' HB3' HH21 ' B' ' 597' ' ' ARG . 56.6 mtp180 -82.81 27.13 0.55 Allowed 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 107.323 -1.362 . . . . 0.0 107.323 177.823 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 633' ' ' GLY . . . . . 0.466 ' H ' ' C ' ' B' ' 631' ' ' GLU . . . 77.76 -169.62 54.73 Favored Glycine 0 N--CA 1.492 2.367 0 N-CA-C 108.307 -1.917 . . . . 0.0 108.307 -178.858 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 634' ' ' VAL . . . . . . . . . . . . . 32.8 m -77.94 144.05 11.9 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 O-C-N 120.689 -1.477 . . . . 0.0 109.515 179.506 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 3.7 p -135.09 143.05 38.3 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.19 0 O-C-N 121.016 -1.052 . . . . 0.0 109.644 179.072 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 636' ' ' ILE . . . . . . . . . . . . . 95.4 mt -133.31 152.83 36.2 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 -179.537 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 637' ' ' ASN . . . . . 0.423 ' O ' ' N ' ' B' ' 639' ' ' GLU . 23.5 t-20 -86.52 132.36 33.94 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.224 -0.923 . . . . 0.0 109.419 179.651 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 638' ' ' ALA . . . . . 0.773 ' HB2' HD11 ' B' ' 596' ' ' LEU . . . -50.18 -10.96 0.06 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.735 -0.603 . . . . 0.0 110.587 -179.543 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 639' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' B' ' 637' ' ' ASN . 41.1 tt0 -81.22 -21.88 39.2 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 120.78 -1.2 . . . . 0.0 110.874 -179.268 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 640' ' ' ASP . . . . . . . . . . . . . 51.9 m-20 -84.37 -56.82 3.43 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.187 -1.57 . . . . 0.0 108.088 178.081 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 641' ' ' VAL . . . . . 0.656 HG13 ' N ' ' B' ' 642' ' ' GLN . 7.6 p -51.54 -56.17 6.33 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 120.96 -1.088 . . . . 0.0 108.494 177.779 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 642' ' ' GLN . . . . . 0.656 ' N ' HG13 ' B' ' 641' ' ' VAL . 24.0 mm100 -48.45 -35.73 13.51 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.933 -1.104 . . . . 0.0 109.442 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 643' ' ' LEU . . . . . . . . . . . . . 35.5 tp -77.64 -21.59 51.98 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.147 -0.971 . . . . 0.0 108.549 178.273 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 644' ' ' ALA . . . . . 0.51 ' N ' ' O ' ' B' ' 641' ' ' VAL . . . -88.34 -46.88 8.82 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.939 -1.101 . . . . 0.0 109.36 178.44 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 645' ' ' LEU . . . . . 0.415 HD23 HD22 ' B' ' 619' ' ' LEU . 97.5 mt -66.82 -27.59 67.69 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.958 -1.089 . . . . 0.0 110.032 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 646' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -88.67 -8.04 55.3 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 120.887 -1.133 . . . . 0.0 109.32 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 647' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -97.6 -8.68 28.42 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.199 -0.938 . . . . 0.0 109.314 179.615 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 648' ' ' HIS . . . . . 0.516 ' NE2' ' OE2' ' B' ' 622' ' ' GLU . 9.9 m-70 -114.04 12.54 17.97 Favored 'General case' 0 N--CA 1.5 2.06 0 O-C-N 121.456 -0.778 . . . . 0.0 109.831 -179.731 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 649' ' ' MET . . . . . . . . . . . . . 6.8 mmt -96.25 144.13 26.71 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.126 -0.984 . . . . 0.0 109.329 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 650' ' ' ASN . . . . . . . . . . . . . 25.9 p-10 . . . . . 0 N--CA 1.49 1.554 0 CA-C-O 118.019 -0.991 . . . . 0.0 109.406 -179.983 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 279' ' ' ASN . . . . . . . . . . . . . 1.6 p30 . . . . . 0 N--CA 1.49 1.573 0 CA-C-O 121.31 0.576 . . . . 0.0 109.51 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . 13.7 mt 54.56 52.61 11.99 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.231 -0.918 . . . . 0.0 109.514 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 281' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 52.62 96.13 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.273 -0.892 . . . . 0.0 109.461 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 282' ' ' SER . . . . . . . . . . . . . 40.4 t -169.98 73.37 0.07 Allowed 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.259 -0.901 . . . . 0.0 109.513 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 283' ' ' ASN . . . . . 0.455 ' O ' ' CD2' ' A' ' 285' ' ' PHE . 58.3 t-20 52.32 74.87 0.25 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.237 -0.915 . . . . 0.0 109.466 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 284' ' ' MET . . . . . . . . . . . . . 34.6 ttp -74.33 4.05 6.42 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.178 -0.951 . . . . 0.0 109.278 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 285' ' ' PHE . . . . . 0.455 ' CD2' ' O ' ' A' ' 283' ' ' ASN . 93.0 m-85 51.72 25.28 2.8 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.159 -0.963 . . . . 0.0 109.538 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 286' ' ' SER . . . . . . . . . . . . . 13.1 t 48.42 39.59 13.02 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.225 -0.922 . . . . 0.0 109.459 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 287' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -63.65 126.91 29.11 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.203 -0.936 . . . . 0.0 109.348 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 288' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -170.64 -76.51 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.249 -0.907 . . . . 0.0 109.487 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 289' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -69.13 -64.58 0.84 Allowed 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.269 -0.894 . . . . 0.0 109.587 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 290' ' ' ASN . . . . . . . . . . . . . 72.4 m-80 -157.06 141.15 16.31 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.19 -0.944 . . . . 0.0 109.596 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 291' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -75.88 -50.62 14.53 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.188 -0.945 . . . . 0.0 109.539 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 292' ' ' GLU . . . . . 0.601 ' H ' ' CD ' ' A' ' 292' ' ' GLU . 7.8 pm0 -49.66 -29.61 7.62 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.2 -0.937 . . . . 0.0 109.536 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 293' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -90.4 -41.59 11.39 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.239 -0.913 . . . . 0.0 109.63 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 294' ' ' GLN . . . . . . . . . . . . . 52.1 tp60 -75.84 131.35 39.66 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.26 -0.9 . . . . 0.0 109.569 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 295' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -85.82 -82.47 0.19 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.28 -0.888 . . . . 0.0 109.744 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . 29.4 t0 -171.59 110.1 0.29 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.104 -0.998 . . . . 0.0 109.399 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 297' ' ' GLU . . . . . . . . . . . . . 58.0 tt0 -45.6 130.42 8.9 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.41 -0.806 . . . . 0.0 109.942 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 298' ' ' GLN . . . . . . . . . . . . . 10.0 tp-100 -163.16 -22.58 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.369 -0.832 . . . . 0.0 109.103 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 299' ' ' VAL . . . . . 0.535 HG23 ' H ' ' A' ' 300' ' ' SER . 1.2 m -53.83 -100.51 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 O-C-N 121.407 -0.808 . . . . 0.0 109.874 179.689 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 300' ' ' SER . . . . . 0.569 ' C ' ' N ' ' A' ' 302' ' ' PHE . 19.6 m 52.94 18.59 1.11 Allowed 'General case' 0 C--N 1.292 -1.896 0 N-CA-C 107.748 -1.204 . . . . 0.0 107.748 -177.172 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 301' ' ' GLU . . . . . 0.44 ' N ' ' C ' ' A' ' 299' ' ' VAL . 7.0 pt-20 -44.73 -23.0 0.1 Allowed 'General case' 0 N--CA 1.496 1.845 0 N-CA-C 106.3 -1.741 . . . . 0.0 106.3 177.896 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 302' ' ' PHE . . . . . 0.569 ' N ' ' C ' ' A' ' 300' ' ' SER . 19.9 t80 -69.58 -65.37 0.72 Allowed 'General case' 0 C--N 1.299 -1.619 0 CA-C-N 113.387 -1.733 . . . . 0.0 110.024 178.834 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 303' ' ' CYS . . . . . . . . . . . . . 8.5 t -66.71 -51.18 58.93 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.086 -1.009 . . . . 0.0 110.26 -179.515 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 36.0 t -51.52 -25.71 7.12 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.353 -0.842 . . . . 0.0 111.808 -178.519 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -100.23 -14.04 18.64 Favored 'General case' 0 N--CA 1.508 2.452 0 O-C-N 120.806 -1.184 . . . . 0.0 109.12 178.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 306' ' ' MET . . . . . 0.51 ' SD ' ' CE2' ' A' ' 302' ' ' PHE . 12.0 mtp -74.86 -25.24 58.84 Favored 'General case' 0 C--N 1.297 -1.688 0 N-CA-C 106.779 -1.563 . . . . 0.0 106.779 177.197 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 307' ' ' ASN . . . . . 0.461 ' O ' ' C ' ' A' ' 308' ' ' GLN . 20.3 t-20 -81.51 -42.85 19.63 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 106.246 -1.761 . . . . 0.0 106.246 179.083 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 308' ' ' GLN . . . . . 0.519 ' O ' ' N ' ' A' ' 310' ' ' CYS . 19.0 mt-30 -35.56 -40.51 0.17 Allowed 'General case' 0 N--CA 1.508 2.452 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 178.563 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 309' ' ' VAL . . . . . 0.42 HG23 ' H ' ' A' ' 309' ' ' VAL . 16.6 t -45.05 -17.64 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.885 0 CA-C-O 121.727 0.775 . . . . 0.0 109.412 178.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 310' ' ' CYS . . . . . 0.519 ' N ' ' O ' ' A' ' 308' ' ' GLN . 13.7 m -83.42 -52.13 6.78 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 179.778 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 311' ' ' GLY . . . . . . . . . . . . . . . -63.96 131.21 39.61 Favored Glycine 0 N--CA 1.49 2.247 0 N-CA-C 109.535 -1.426 . . . . 0.0 109.535 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 312' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -129.47 91.39 3.16 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.479 -1.012 . . . . 0.0 109.279 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 313' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 . . . . . 0 N--CA 1.491 1.608 0 CA-C-O 117.997 -1.002 . . . . 0.0 109.436 179.949 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 565' ' ' ASN . . . . . . . . . . . . . 16.7 m120 . . . . . 0 N--CA 1.491 1.596 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 566' ' ' GLY . . . . . . . . . . . . . . . 179.21 104.39 0.18 Allowed Glycine 0 N--CA 1.49 2.257 0 N-CA-C 109.517 -1.433 . . . . 0.0 109.517 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 567' ' ' SER . . . . . . . . . . . . . 30.5 t -171.39 85.03 0.08 Allowed 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.227 -1.16 . . . . 0.0 109.421 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 568' ' ' SER . . . . . . . . . . . . . 77.3 p -169.96 50.4 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.21 -0.931 . . . . 0.0 109.497 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 569' ' ' LEU . . . . . . . . . . . . . 16.0 mt -69.36 -70.03 0.3 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.332 -0.855 . . . . 0.0 109.442 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 570' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -65.82 -163.07 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.261 -0.899 . . . . 0.0 109.449 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 571' ' ' ASN . . . . . 0.424 ' OD1' ' N ' ' B' ' 571' ' ' ASN . 15.7 p-10 -167.28 84.23 0.23 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.279 -0.888 . . . . 0.0 109.401 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -168.77 89.25 0.22 Allowed 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.232 -0.917 . . . . 0.0 109.473 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 573' ' ' ASP . . . . . 0.472 ' CG ' ' H ' ' B' ' 574' ' ' LYS . 2.6 p-10 -64.88 -100.91 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.325 -0.86 . . . . 0.0 109.406 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 574' ' ' LYS . . . . . 0.472 ' H ' ' CG ' ' B' ' 573' ' ' ASP . 37.0 mtmt 54.99 74.53 0.35 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.202 -0.937 . . . . 0.0 109.463 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 575' ' ' ILE . . . . . 0.417 ' O ' ' OD1' ' B' ' 576' ' ' ASN . 15.2 mm 55.27 61.28 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.229 -0.919 . . . . 0.0 109.505 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 576' ' ' ASN . . . . . 0.417 ' OD1' ' O ' ' B' ' 575' ' ' ILE . 80.7 m-20 -158.39 141.68 15.02 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.195 -0.941 . . . . 0.0 109.418 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 577' ' ' ASN . . . . . . . . . . . . . 69.4 m-80 -67.25 164.08 19.09 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.268 -0.895 . . . . 0.0 109.455 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 578' ' ' GLY . . . . . . . . . . . . . . . 176.43 26.46 0.03 OUTLIER Glycine 0 N--CA 1.491 2.327 0 N-CA-C 109.553 -1.419 . . . . 0.0 109.553 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 579' ' ' ASN . . . . . 0.483 ' O ' ' N ' ' B' ' 581' ' ' ASN . 51.6 t30 -169.98 115.39 0.52 Allowed 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.194 -1.18 . . . . 0.0 109.408 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 580' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 50.74 -93.07 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.295 -0.878 . . . . 0.0 109.457 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 581' ' ' ASN . . . . . 0.483 ' N ' ' O ' ' B' ' 579' ' ' ASN . 6.0 t30 -166.94 -72.74 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.265 -0.897 . . . . 0.0 109.431 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 582' ' ' ASP . . . . . 0.479 ' O ' ' ND2' ' B' ' 583' ' ' ASN . 20.6 m-20 -60.91 143.77 54.33 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.249 -0.907 . . . . 0.0 109.476 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 583' ' ' ASN . . . . . 0.479 ' ND2' ' O ' ' B' ' 582' ' ' ASP . 35.7 m120 -157.33 132.34 8.85 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.187 -0.945 . . . . 0.0 109.459 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 584' ' ' ASP . . . . . 0.473 ' N ' ' OD1' ' B' ' 584' ' ' ASP . 1.0 OUTLIER 51.91 179.32 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.236 -0.915 . . . . 0.0 109.529 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 585' ' ' ASN . . . . . . . . . . . . . 34.3 m120 -75.27 119.38 19.3 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.238 -0.914 . . . . 0.0 109.439 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 586' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -171.39 131.45 0.75 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.229 -0.919 . . . . 0.0 109.455 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 587' ' ' VAL . . . . . . . . . . . . . 1.6 m -148.66 112.95 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 121.237 -0.914 . . . . 0.0 109.159 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 588' ' ' VAL . . . . . 0.638 ' N ' ' CD ' ' B' ' 589' ' ' PRO . 1.8 t -85.26 -35.64 0.54 Allowed Pre-proline 0 N--CA 1.49 1.567 0 O-C-N 121.18 -0.95 . . . . 0.0 111.533 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 589' ' ' PRO . . . . . 0.638 ' CD ' ' N ' ' B' ' 588' ' ' VAL . 2.5 Cg_endo -68.22 124.88 12.22 Favored 'Trans proline' 0 C--O 1.215 -0.642 0 C-N-CA 120.749 0.966 . . . . 0.0 109.817 -179.211 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 590' ' ' SER . . . . . . . . . . . . . 30.8 t -65.74 152.27 44.68 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.227 -0.921 . . . . 0.0 109.287 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 591' ' ' LYS . . . . . . . . . . . . . 38.9 tptt -165.76 129.83 2.26 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.28 -0.887 . . . . 0.0 109.196 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 64.2 mt-10 -150.54 179.48 8.13 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.235 -0.916 . . . . 0.0 109.114 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 593' ' ' GLY . . . . . . . . . . . . . . . 169.21 44.41 0.03 OUTLIER Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.638 -1.385 . . . . 0.0 109.638 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 594' ' ' SER . . . . . . . . . . . . . 62.3 m -71.32 164.51 25.58 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.171 -1.193 . . . . 0.0 109.915 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 595' ' ' LEU . . . . . 0.543 ' N ' HD12 ' B' ' 595' ' ' LEU . 7.3 mp -88.4 114.29 24.86 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 121.633 -0.667 . . . . 0.0 109.343 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 596' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -126.05 153.71 44.04 Favored 'General case' 0 N--CA 1.502 2.126 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 179.466 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 597' ' ' ARG . . . . . 0.475 ' H ' ' HG3' ' B' ' 600' ' ' GLU . 62.6 mtm180 -101.53 -134.57 0.3 Allowed 'General case' 0 N--CA 1.501 2.118 0 O-C-N 121.277 -0.889 . . . . 0.0 111.611 -177.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 598' ' ' CYS . . . . . 0.522 ' O ' ' N ' ' B' ' 600' ' ' GLU . 6.1 p -84.79 -102.8 0.05 Allowed 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.553 -0.717 . . . . 0.0 111.464 -177.863 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 599' ' ' SER . . . . . 0.479 ' O ' ' N ' ' B' ' 602' ' ' TRP . 29.5 t -43.53 -19.58 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.911 0 CA-C-O 121.939 0.876 . . . . 0.0 109.681 -178.87 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 600' ' ' GLU . . . . . 0.522 ' N ' ' O ' ' B' ' 598' ' ' CYS . 55.3 mm-40 -47.25 -37.21 10.12 Favored 'General case' 0 C--N 1.303 -1.446 0 CA-C-O 122.269 1.033 . . . . 0.0 108.563 179.041 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 601' ' ' ILE . . . . . 0.549 ' O ' ' N ' ' B' ' 604' ' ' ARG . 1.3 mp -71.04 -32.62 48.81 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.07 0 N-CA-C 107.783 -1.191 . . . . 0.0 107.783 -178.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 602' ' ' TRP . . . . . 0.479 ' N ' ' O ' ' B' ' 599' ' ' SER . 61.1 t-105 -44.8 -38.44 4.51 Favored 'General case' 0 N--CA 1.493 1.712 0 N-CA-C 107.465 -1.309 . . . . 0.0 107.465 179.493 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 603' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -69.75 -43.14 72.87 Favored 'General case' 0 C--N 1.302 -1.498 0 N-CA-C 107.8 -1.185 . . . . 0.0 107.8 177.522 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 604' ' ' ARG . . . . . 0.549 ' N ' ' O ' ' B' ' 601' ' ' ILE . 20.6 mmm-85 -56.75 -26.89 58.35 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.346 -0.846 . . . . 0.0 109.244 179.111 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 605' ' ' ILE . . . . . . . . . . . . . 81.0 mt -86.02 -45.75 16.89 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.829 0 O-C-N 121.457 -0.777 . . . . 0.0 110.39 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 606' ' ' THR . . . . . . . . . . . . . 21.8 p -49.78 -42.18 46.09 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.972 -1.08 . . . . 0.0 110.17 -179.133 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 607' ' ' THR . . . . . 0.447 ' CG2' ' O ' ' B' ' 604' ' ' ARG . 0.1 OUTLIER -53.91 -46.65 71.52 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.118 -0.988 . . . . 0.0 109.859 -179.487 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 608' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -48.03 109.96 1.27 Allowed Pre-proline 0 N--CA 1.493 1.719 0 O-C-N 121.13 -0.981 . . . . 0.0 109.025 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 609' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -64.0 -30.56 66.61 Favored 'Trans proline' 0 C--O 1.215 -0.653 0 N-CA-C 109.707 -0.92 . . . . 0.0 109.707 -179.181 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 610' ' ' LYS . . . . . 0.491 ' CD ' ' H ' ' B' ' 610' ' ' LYS . 0.0 OUTLIER -82.17 53.6 2.29 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.39 -0.819 . . . . 0.0 109.591 -179.793 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 611' ' ' TYR . . . . . 0.458 ' CD2' ' O ' ' B' ' 611' ' ' TYR . 88.1 t80 -70.45 11.73 0.32 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.307 -0.871 . . . . 0.0 109.34 179.801 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 612' ' ' SER . . . . . 0.477 ' H ' ' C ' ' B' ' 610' ' ' LYS . 94.0 p -43.05 -77.3 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.428 -0.795 . . . . 0.0 110.508 -179.582 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 613' ' ' ASP . . . . . 0.447 ' N ' ' OG ' ' B' ' 612' ' ' SER . 58.8 m-20 -150.79 149.85 30.25 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.091 -1.006 . . . . 0.0 109.849 -179.567 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 614' ' ' ILE . . . . . 0.405 HG22 ' H ' ' B' ' 615' ' ' ASP . 8.5 mt -146.76 -125.01 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 O-C-N 121.406 -0.809 . . . . 0.0 108.947 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 615' ' ' ASP . . . . . 0.405 ' H ' HG22 ' B' ' 614' ' ' ILE . 6.8 m-20 -158.97 95.24 1.27 Allowed 'General case' 0 C--N 1.303 -1.431 0 N-CA-C 107.697 -1.223 . . . . 0.0 107.697 179.663 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 616' ' ' VAL . . . . . . . . . . . . . 26.9 t -82.4 -19.29 10.55 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 121.679 -0.638 . . . . 0.0 110.174 -179.36 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 617' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 -64.88 -45.96 83.79 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.216 -0.928 . . . . 0.0 110.802 -178.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 618' ' ' GLY . . . . . . . . . . . . . . . -66.31 -36.15 91.29 Favored Glycine 0 N--CA 1.494 2.524 0 C-N-CA 119.875 -1.155 . . . . 0.0 110.506 -179.036 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 619' ' ' LEU . . . . . . . . . . . . . 2.7 mt -65.91 -21.32 66.44 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.929 -1.336 . . . . 0.0 108.144 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 620' ' ' CYS . . . . . . . . . . . . . 13.9 t -69.15 -52.44 28.11 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.583 -0.698 . . . . 0.0 110.14 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 97.7 p -83.91 -1.49 54.63 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 120.706 -1.246 . . . . 0.0 110.166 -179.587 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 622' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -100.24 -47.21 5.03 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.04 -1.037 . . . . 0.0 109.629 178.639 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 623' ' ' LEU . . . . . 0.408 ' N ' HD12 ' B' ' 623' ' ' LEU . 10.0 mp -85.42 -18.81 32.56 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 120.819 -1.176 . . . . 0.0 110.067 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 624' ' ' MET . . . . . . . . . . . . . 24.6 ttt -72.87 -26.63 61.52 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.736 -1.227 . . . . 0.0 111.23 -178.675 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 625' ' ' ALA . . . . . . . . . . . . . . . -105.52 -26.77 11.76 Favored 'General case' 0 N--CA 1.504 2.231 0 O-C-N 120.887 -1.133 . . . . 0.0 109.471 179.706 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 626' ' ' LYS . . . . . . . . . . . . . 35.6 mmtm -65.15 -12.79 54.78 Favored 'General case' 0 C--N 1.3 -1.57 0 N-CA-C 106.243 -1.762 . . . . 0.0 106.243 177.017 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 627' ' ' ALA . . . . . . . . . . . . . . . -46.4 140.8 3.94 Favored 'General case' 0 N--CA 1.492 1.669 0 CA-C-N 114.979 -1.01 . . . . 0.0 111.421 -179.688 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 628' ' ' LYS . . . . . . . . . . . . . 79.0 mttt -119.0 96.36 5.21 Favored 'General case' 0 N--CA 1.498 1.927 0 N-CA-C 108.15 -1.056 . . . . 0.0 108.15 178.461 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 629' ' ' CYS . . . . . . . . . . . . . 38.9 t -54.98 116.32 2.69 Favored 'General case' 0 N--CA 1.493 1.716 0 CA-C-O 122.333 1.063 . . . . 0.0 111.9 -178.19 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 630' ' ' SER . . . . . . . . . . . . . 47.1 t -142.89 158.92 43.15 Favored 'General case' 0 N--CA 1.496 1.866 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 178.281 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 631' ' ' GLU . . . . . 0.524 ' C ' ' H ' ' B' ' 633' ' ' GLY . 9.9 mm-40 -64.21 -22.98 67.15 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.26 -1.525 . . . . 0.0 109.249 -179.763 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 632' ' ' ARG . . . . . 0.585 HH11 ' CG ' ' B' ' 632' ' ' ARG . 0.2 OUTLIER -78.06 33.61 0.19 Allowed 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 107.498 -1.297 . . . . 0.0 107.498 177.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 633' ' ' GLY . . . . . 0.524 ' H ' ' C ' ' B' ' 631' ' ' GLU . . . 71.37 -170.13 48.57 Favored Glycine 0 N--CA 1.489 2.169 0 N-CA-C 107.176 -2.37 . . . . 0.0 107.176 -178.329 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 634' ' ' VAL . . . . . . . . . . . . . 7.7 p -77.85 141.95 14.83 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.43 0 O-C-N 120.235 -1.744 . . . . 0.0 109.649 179.68 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 34.6 m -136.07 138.52 47.21 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.029 0 O-C-N 121.104 -0.997 . . . . 0.0 108.93 178.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 636' ' ' ILE . . . . . 0.407 HG22 ' N ' ' B' ' 637' ' ' ASN . 92.6 mt -133.38 154.73 39.57 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.856 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 -179.475 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 637' ' ' ASN . . . . . 0.523 ' O ' ' N ' ' B' ' 639' ' ' GLU . 16.9 m120 -87.56 133.88 33.72 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.162 -0.962 . . . . 0.0 110.119 -179.578 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -47.68 -9.55 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.713 -0.617 . . . . 0.0 110.585 179.472 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 639' ' ' GLU . . . . . 0.523 ' N ' ' O ' ' B' ' 637' ' ' ASN . 40.1 tt0 -76.62 -19.86 57.36 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.026 -1.046 . . . . 0.0 110.077 179.363 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 640' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -87.04 -49.14 7.53 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 120.249 -1.532 . . . . 0.0 109.417 178.218 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 641' ' ' VAL . . . . . 0.412 ' H ' HG12 ' B' ' 641' ' ' VAL . 0.7 OUTLIER -62.88 -49.47 83.5 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 120.699 -1.25 . . . . 0.0 109.195 179.291 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 642' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.67 -36.35 69.48 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.795 -1.191 . . . . 0.0 109.877 -179.316 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 643' ' ' LEU . . . . . 0.545 HD23 ' O ' ' B' ' 643' ' ' LEU . 1.0 OUTLIER -79.16 -17.91 54.09 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.886 -1.134 . . . . 0.0 108.505 178.464 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 644' ' ' ALA . . . . . . . . . . . . . . . -87.98 -54.35 4.27 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.791 -1.193 . . . . 0.0 109.298 178.366 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 645' ' ' LEU . . . . . . . . . . . . . 77.4 mt -61.89 -24.69 67.1 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.162 -0.961 . . . . 0.0 110.475 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 646' ' ' ASN . . . . . 0.413 ' OD1' ' N ' ' B' ' 647' ' ' LYS . 43.8 p-10 -92.56 -10.43 37.64 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 120.778 -1.201 . . . . 0.0 109.944 -179.807 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 647' ' ' LYS . . . . . 0.427 ' CB ' ' HZ2' ' B' ' 647' ' ' LYS . 7.6 ttpm? -103.55 -11.74 17.56 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.36 -0.838 . . . . 0.0 109.497 -179.715 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 648' ' ' HIS . . . . . . . . . . . . . 81.8 m-70 -111.56 6.09 19.84 Favored 'General case' 0 N--CA 1.496 1.857 0 N-CA-C 108.949 -0.759 . . . . 0.0 108.949 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 649' ' ' MET . . . . . . . . . . . . . 34.4 ttm -96.53 129.5 43.89 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.421 -0.799 . . . . 0.0 109.522 -179.709 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 650' ' ' ASN . . . . . . . . . . . . . 63.9 t-20 . . . . . 0 N--CA 1.49 1.549 0 CA-C-O 117.942 -1.027 . . . . 0.0 109.474 -179.991 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 279' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 . . . . . 0 N--CA 1.492 1.625 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 280' ' ' LEU . . . . . 0.581 HD12 ' N ' ' A' ' 280' ' ' LEU . 8.2 mp -73.81 90.59 1.89 Allowed 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.278 -0.889 . . . . 0.0 109.366 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 281' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -77.96 -143.81 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.27 -0.894 . . . . 0.0 109.495 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 282' ' ' SER . . . . . . . . . . . . . 10.5 m 52.98 -131.57 2.1 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.225 -0.922 . . . . 0.0 109.463 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 283' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 53.56 33.73 16.96 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.285 -0.884 . . . . 0.0 109.472 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 284' ' ' MET . . . . . 0.404 ' HG2' ' H ' ' A' ' 284' ' ' MET . 4.2 ptt? -80.25 126.27 30.91 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.264 -0.897 . . . . 0.0 109.466 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 285' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 49.08 -167.37 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.239 -0.913 . . . . 0.0 109.546 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 286' ' ' SER . . . . . . . . . . . . . 51.8 m -61.18 154.75 22.5 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.226 -0.921 . . . . 0.0 109.522 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 287' ' ' ASN . . . . . . . . . . . . . 32.3 m120 -71.65 -134.39 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.273 -0.892 . . . . 0.0 109.475 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 288' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -158.07 20.87 0.25 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.253 -0.905 . . . . 0.0 109.593 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 289' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -64.54 -79.73 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.153 -0.967 . . . . 0.0 109.487 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 290' ' ' ASN . . . . . . . . . . . . . 8.6 m-20 -60.83 -171.72 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.28 -0.887 . . . . 0.0 109.479 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 291' ' ' PHE . . . . . 0.526 ' CD2' ' O ' ' A' ' 291' ' ' PHE . 71.7 t80 -170.02 -3.49 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.286 -0.884 . . . . 0.0 109.492 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 292' ' ' GLU . . . . . . . . . . . . . 61.2 tt0 -71.84 -65.56 0.75 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.204 -0.935 . . . . 0.0 109.515 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 293' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -70.17 146.64 50.64 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.271 -0.893 . . . . 0.0 109.466 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 294' ' ' GLN . . . . . 0.427 ' CD ' ' N ' ' A' ' 294' ' ' GLN . 27.7 mp0 -84.66 85.59 7.42 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.283 -0.885 . . . . 0.0 109.748 -179.806 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 295' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -78.34 133.04 37.65 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.223 -0.923 . . . . 0.0 109.434 179.672 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -169.91 86.87 0.14 Allowed 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.368 -0.832 . . . . 0.0 109.523 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 297' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -79.73 39.15 0.41 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.256 -0.902 . . . . 0.0 109.37 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 298' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -75.21 -11.83 60.16 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.289 -0.882 . . . . 0.0 109.48 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 299' ' ' VAL . . . . . 0.522 ' C ' ' H ' ' A' ' 301' ' ' GLU . 7.4 m -87.84 66.72 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 121.191 -0.943 . . . . 0.0 109.712 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 300' ' ' SER . . . . . 0.495 ' C ' ' N ' ' A' ' 302' ' ' PHE . 4.3 m -74.18 30.54 0.08 Allowed 'General case' 0 C--N 1.29 -1.987 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 178.386 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 301' ' ' GLU . . . . . 0.522 ' H ' ' C ' ' A' ' 299' ' ' VAL . 14.5 pt-20 -44.49 -25.99 0.31 Allowed 'General case' 0 N--CA 1.494 1.75 0 N-CA-C 107.051 -1.463 . . . . 0.0 107.051 178.495 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 302' ' ' PHE . . . . . 0.495 ' N ' ' C ' ' A' ' 300' ' ' SER . 68.5 t80 -73.89 -66.26 0.73 Allowed 'General case' 0 C--N 1.302 -1.488 0 CA-C-N 114.588 -1.187 . . . . 0.0 109.812 178.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 303' ' ' CYS . . . . . 0.407 ' O ' ' N ' ' A' ' 306' ' ' MET . 4.4 t -67.07 -49.71 64.18 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.182 -0.949 . . . . 0.0 108.874 179.685 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 304' ' ' SER . . . . . 0.468 ' N ' ' O ' ' A' ' 300' ' ' SER . 35.5 t -50.09 -24.57 2.78 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.394 -0.816 . . . . 0.0 110.104 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 305' ' ' LYS . . . . . 0.429 ' HZ2' ' HB3' ' A' ' 305' ' ' LYS . 16.6 ttpp -101.22 -14.21 17.79 Favored 'General case' 0 N--CA 1.502 2.13 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 178.063 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 306' ' ' MET . . . . . 0.407 ' N ' ' O ' ' A' ' 303' ' ' CYS . 3.9 tpp -72.88 -25.07 60.95 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 107.262 -1.384 . . . . 0.0 107.262 177.238 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 307' ' ' ASN . . . . . 0.449 ' O ' ' C ' ' A' ' 308' ' ' GLN . 19.4 t-20 -87.34 -40.79 14.14 Favored 'General case' 0 N--CA 1.494 1.756 0 N-CA-C 106.436 -1.69 . . . . 0.0 106.436 178.539 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 308' ' ' GLN . . . . . 0.522 ' O ' ' N ' ' A' ' 310' ' ' CYS . 32.9 tt0 -34.92 -40.35 0.11 Allowed 'General case' 0 N--CA 1.504 2.229 0 CA-C-O 121.337 0.589 . . . . 0.0 109.656 178.539 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 309' ' ' VAL . . . . . 0.612 HG21 ' O ' ' B' ' 624' ' ' MET . 53.0 t -46.48 -14.92 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.857 0 CA-C-O 121.667 0.746 . . . . 0.0 109.444 179.217 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 310' ' ' CYS . . . . . 0.522 ' N ' ' O ' ' A' ' 308' ' ' GLN . 3.3 m -86.03 22.93 1.6 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.469 -0.769 . . . . 0.0 109.18 179.234 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 311' ' ' GLY . . . . . . . . . . . . . . . -88.78 116.76 4.71 Favored Glycine 0 N--CA 1.494 2.543 0 N-CA-C 109.404 -1.478 . . . . 0.0 109.404 179.624 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 312' ' ' THR . . . . . . . . . . . . . 25.1 m -82.49 148.41 28.14 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.241 -1.152 . . . . 0.0 109.657 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 313' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 . . . . . 0 N--CA 1.491 1.591 0 CA-C-O 118.1 -0.952 . . . . 0.0 109.472 179.879 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 565' ' ' ASN . . . . . . . . . . . . . 20.6 m120 . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 566' ' ' GLY . . . . . . . . . . . . . . . -178.73 94.42 0.09 OUTLIER Glycine 0 N--CA 1.491 2.336 0 N-CA-C 109.553 -1.419 . . . . 0.0 109.553 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 567' ' ' SER . . . . . . . . . . . . . 80.6 p -64.82 -173.29 0.1 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.301 -1.117 . . . . 0.0 109.48 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 568' ' ' SER . . . . . . . . . . . . . 43.9 t -169.4 162.7 10.4 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.223 -0.923 . . . . 0.0 109.388 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 569' ' ' LEU . . . . . . . . . . . . . 18.1 mt -71.12 -75.27 0.13 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.265 -0.897 . . . . 0.0 109.527 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 570' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 -86.4 175.11 8.58 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.241 -0.912 . . . . 0.0 109.408 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 571' ' ' ASN . . . . . . . . . . . . . 27.8 m120 -158.2 -162.77 1.18 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.279 -0.888 . . . . 0.0 109.39 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 572' ' ' ALA . . . . . 0.417 ' C ' ' H ' ' B' ' 574' ' ' LYS . . . -171.77 72.04 0.05 OUTLIER 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.194 -0.941 . . . . 0.0 109.332 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 573' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -79.25 30.68 0.22 Allowed 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.279 -0.888 . . . . 0.0 109.093 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 574' ' ' LYS . . . . . 0.539 ' O ' ' N ' ' B' ' 576' ' ' ASN . 19.5 ptmt -73.07 132.38 43.27 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.392 -0.818 . . . . 0.0 109.501 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 575' ' ' ILE . . . . . . . . . . . . . 14.9 mm 58.31 -78.75 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.531 -0.73 . . . . 0.0 109.652 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 576' ' ' ASN . . . . . 0.539 ' N ' ' O ' ' B' ' 574' ' ' LYS . 43.5 t30 -65.87 155.49 36.22 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.148 -0.97 . . . . 0.0 109.539 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 577' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -74.09 31.17 0.08 Allowed 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.41 -0.806 . . . . 0.0 109.52 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 578' ' ' GLY . . . . . 0.477 ' H ' ' C ' ' B' ' 576' ' ' ASN . . . 69.28 -77.79 0.32 Allowed Glycine 0 N--CA 1.491 2.319 0 N-CA-C 109.509 -1.436 . . . . 0.0 109.509 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 579' ' ' ASN . . . . . 0.404 ' OD1' ' N ' ' B' ' 580' ' ' ASP . 13.0 t-20 54.77 -138.87 1.05 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.251 -1.146 . . . . 0.0 109.389 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 580' ' ' ASP . . . . . 0.404 ' N ' ' OD1' ' B' ' 579' ' ' ASN . 48.1 m-20 -158.08 162.95 38.09 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.173 -0.954 . . . . 0.0 109.543 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 581' ' ' ASN . . . . . . . . . . . . . 65.2 m-20 -69.8 -162.57 0.05 Allowed 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.267 -0.896 . . . . 0.0 109.468 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 582' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -171.18 -157.31 0.13 Allowed 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.286 -0.884 . . . . 0.0 109.482 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 583' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -163.54 142.43 8.07 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.164 -0.96 . . . . 0.0 109.472 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 584' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -73.47 126.96 31.41 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.219 -0.925 . . . . 0.0 109.462 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 585' ' ' ASN . . . . . . . . . . . . . 8.3 p-10 -172.07 -10.27 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.262 -0.899 . . . . 0.0 109.452 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 586' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -79.86 169.42 17.93 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.303 -0.873 . . . . 0.0 109.551 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 587' ' ' VAL . . . . . . . . . . . . . 3.3 t 53.2 -126.66 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.306 -1.289 0 O-C-N 121.271 -0.893 . . . . 0.0 108.993 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 588' ' ' VAL . . . . . 0.656 ' O ' HG22 ' B' ' 588' ' ' VAL . 2.1 p -175.43 70.09 0.27 Allowed Pre-proline 0 C--N 1.284 -2.279 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 589' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_exo -62.14 127.07 20.14 Favored 'Trans proline' 0 C--N 1.316 -1.172 0 C-N-CA 121.326 1.351 . . . . 0.0 109.71 -179.63 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 590' ' ' SER . . . . . 0.443 ' OG ' ' N ' ' B' ' 591' ' ' LYS . 47.9 t -73.04 -157.46 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.24 -0.912 . . . . 0.0 109.59 -179.799 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 591' ' ' LYS . . . . . 0.443 ' N ' ' OG ' ' B' ' 590' ' ' SER . 84.1 tttt -69.16 96.09 0.8 Allowed 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.262 -0.899 . . . . 0.0 109.406 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 592' ' ' GLU . . . . . 0.558 ' H ' ' CD ' ' B' ' 592' ' ' GLU . 0.0 OUTLIER -64.88 169.2 5.41 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.217 -0.927 . . . . 0.0 109.655 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 593' ' ' GLY . . . . . . . . . . . . . . . 68.8 81.44 0.2 Allowed Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.517 -1.433 . . . . 0.0 109.517 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 594' ' ' SER . . . . . . . . . . . . . 72.3 m -90.37 166.01 13.53 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.192 -1.181 . . . . 0.0 110.151 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 595' ' ' LEU . . . . . 0.534 HD22 ' N ' ' B' ' 595' ' ' LEU . 3.8 mm? -96.07 123.46 39.69 Favored 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 179.815 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 596' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -128.18 157.54 40.54 Favored 'General case' 0 N--CA 1.502 2.126 0 O-C-N 121.412 -0.805 . . . . 0.0 109.241 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 597' ' ' ARG . . . . . 0.435 ' H ' ' CB ' ' B' ' 600' ' ' GLU . 48.3 mtm180 -107.42 -147.84 0.41 Allowed 'General case' 0 N--CA 1.503 2.195 0 CA-C-O 121.985 0.897 . . . . 0.0 111.705 -178.046 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 598' ' ' CYS . . . . . 0.61 ' SG ' ' N ' ' B' ' 599' ' ' SER . 6.2 t -70.98 -100.33 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.858 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.011 -178.292 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 599' ' ' SER . . . . . 0.61 ' N ' ' SG ' ' B' ' 598' ' ' CYS . 95.4 p -45.34 -18.31 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.974 0 CA-C-O 122.337 1.065 . . . . 0.0 109.346 -179.335 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 600' ' ' GLU . . . . . 0.511 ' N ' ' O ' ' B' ' 598' ' ' CYS . 2.2 tm-20 -50.51 -40.44 51.44 Favored 'General case' 0 C--N 1.297 -1.711 0 CA-C-O 122.437 1.113 . . . . 0.0 108.684 179.418 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 601' ' ' ILE . . . . . 0.542 ' O ' ' N ' ' B' ' 604' ' ' ARG . 1.1 mp -68.53 -38.23 78.85 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.132 0 C-N-CA 119.949 -0.7 . . . . 0.0 109.184 -177.27 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 602' ' ' TRP . . . . . 0.419 ' C ' ' O ' ' B' ' 601' ' ' ILE . 0.0 OUTLIER -44.73 -38.63 4.56 Favored 'General case' 0 N--CA 1.496 1.829 0 N-CA-C 107.366 -1.346 . . . . 0.0 107.366 -179.77 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 603' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -66.57 -42.75 86.57 Favored 'General case' 0 N--CA 1.486 1.363 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 177.528 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 604' ' ' ARG . . . . . 0.542 ' N ' ' O ' ' B' ' 601' ' ' ILE . 20.8 mmm180 -57.53 -34.65 69.35 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.385 -0.822 . . . . 0.0 109.371 179.129 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 605' ' ' ILE . . . . . . . . . . . . . 82.1 mt -83.29 -46.75 18.55 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.87 0 O-C-N 121.581 -0.7 . . . . 0.0 111.128 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 606' ' ' THR . . . . . 0.531 ' C ' ' H ' ' B' ' 608' ' ' HIS . 57.7 p -61.52 -46.13 91.26 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.476 -1.39 . . . . 0.0 110.393 -178.727 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 607' ' ' THR . . . . . . . . . . . . . 66.6 p -65.11 23.18 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.914 -1.116 . . . . 0.0 111.156 -178.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 608' ' ' HIS . . . . . 0.531 ' H ' ' C ' ' B' ' 606' ' ' THR . 2.9 m80 -124.81 77.63 65.19 Favored Pre-proline 0 N--CA 1.503 2.192 0 O-C-N 121.109 -0.994 . . . . 0.0 110.388 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 609' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_exo -57.04 -2.98 0.58 Allowed 'Trans proline' 0 C--N 1.322 -0.831 0 C-N-CA 121.7 1.6 . . . . 0.0 109.645 178.59 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 610' ' ' LYS . . . . . 0.483 ' H ' ' C ' ' B' ' 608' ' ' HIS . 24.3 mmtp -101.27 50.74 0.86 Allowed 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.404 -0.81 . . . . 0.0 109.381 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 611' ' ' TYR . . . . . 0.453 ' O ' ' OG ' ' B' ' 612' ' ' SER . 0.2 OUTLIER -54.32 -175.11 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 107.719 -1.215 . . . . 0.0 107.719 179.297 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 612' ' ' SER . . . . . 0.453 ' OG ' ' O ' ' B' ' 611' ' ' TYR . 1.5 m 170.62 58.64 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.232 -0.918 . . . . 0.0 108.93 179.731 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 613' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 47.67 70.11 0.46 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.993 -1.067 . . . . 0.0 109.671 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 614' ' ' ILE . . . . . 0.446 HG22 ' H ' ' B' ' 615' ' ' ASP . 5.9 mm -68.22 -133.88 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.156 -0.965 . . . . 0.0 109.202 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 615' ' ' ASP . . . . . 0.446 ' H ' HG22 ' B' ' 614' ' ' ILE . 22.0 t70 -170.26 94.48 0.23 Allowed 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 107.252 -1.388 . . . . 0.0 107.252 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 616' ' ' VAL . . . . . . . . . . . . . 14.4 t -80.8 -29.28 11.57 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.58 0 O-C-N 121.436 -0.79 . . . . 0.0 109.795 -179.205 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 617' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -65.78 -53.34 41.71 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.138 -0.976 . . . . 0.0 110.982 -178.592 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 618' ' ' GLY . . . . . . . . . . . . . . . -66.92 -40.08 93.44 Favored Glycine 0 N--CA 1.493 2.451 0 N-CA-C 109.546 -1.422 . . . . 0.0 109.546 -179.527 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 619' ' ' LEU . . . . . 0.645 HD23 ' C ' ' B' ' 619' ' ' LEU . 0.3 OUTLIER -63.13 -18.08 63.04 Favored 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 107.867 -1.16 . . . . 0.0 107.867 179.431 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 620' ' ' CYS . . . . . 0.468 ' O ' ' CG ' ' B' ' 624' ' ' MET . 10.8 t -74.13 -48.57 28.59 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.114 -0.991 . . . . 0.0 110.949 -179.511 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 21.3 t -82.75 -2.5 54.53 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 120.755 -1.215 . . . . 0.0 109.931 -179.418 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 622' ' ' GLU . . . . . 0.508 ' OE2' ' NE2' ' B' ' 648' ' ' HIS . 84.9 mt-10 -101.87 -42.4 6.16 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.234 -0.916 . . . . 0.0 109.806 178.539 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 623' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -86.36 -24.32 25.86 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 120.646 -1.284 . . . . 0.0 110.114 -179.456 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 624' ' ' MET . . . . . 0.612 ' O ' HG21 ' A' ' 309' ' ' VAL . 3.2 ppp? -76.1 -24.67 55.01 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.782 -1.199 . . . . 0.0 111.943 -177.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 625' ' ' ALA . . . . . . . . . . . . . . . -102.6 -26.41 13.22 Favored 'General case' 0 N--CA 1.505 2.294 0 O-C-N 120.61 -1.306 . . . . 0.0 108.972 179.535 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 626' ' ' LYS . . . . . . . . . . . . . 64.4 mttm -71.73 -9.22 57.96 Favored 'General case' 0 C--N 1.296 -1.724 0 N-CA-C 105.742 -1.947 . . . . 0.0 105.742 176.333 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 627' ' ' ALA . . . . . . . . . . . . . . . -44.56 134.3 5.39 Favored 'General case' 0 N--CA 1.49 1.552 0 CA-C-N 115.008 -0.996 . . . . 0.0 111.481 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 628' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? -98.8 87.89 3.88 Favored 'General case' 0 N--CA 1.493 1.684 0 N-CA-C 107.419 -1.326 . . . . 0.0 107.419 178.033 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 629' ' ' CYS . . . . . . . . . . . . . 49.5 t -57.21 130.35 45.79 Favored 'General case' 0 N--CA 1.491 1.603 0 CA-C-O 122.44 1.114 . . . . 0.0 111.698 -177.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 630' ' ' SER . . . . . . . . . . . . . 5.1 t -142.45 162.69 34.82 Favored 'General case' 0 N--CA 1.493 1.71 0 N-CA-C 107.453 -1.314 . . . . 0.0 107.453 178.715 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 631' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -66.41 -26.46 67.25 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.311 -1.493 . . . . 0.0 109.227 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 65.3 ttt180 -77.72 -16.23 58.59 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 108.226 -1.027 . . . . 0.0 108.226 178.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 633' ' ' GLY . . . . . . . . . . . . . . . 132.67 -176.32 19.52 Favored Glycine 0 N--CA 1.497 2.725 0 N-CA-C 108.564 -1.814 . . . . 0.0 108.564 -179.667 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 634' ' ' VAL . . . . . . . . . . . . . 33.0 m -78.52 161.62 4.25 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.391 0 O-C-N 120.774 -1.427 . . . . 0.0 109.816 179.718 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 2.6 t -143.04 133.97 23.14 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.005 0 N-CA-C 108.153 -1.055 . . . . 0.0 108.153 177.147 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 636' ' ' ILE . . . . . . . . . . . . . 17.4 mm -110.45 136.86 45.15 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.955 0 O-C-N 121.686 -0.634 . . . . 0.0 110.303 -178.355 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 637' ' ' ASN . . . . . 0.519 ' O ' ' N ' ' B' ' 639' ' ' GLU . 36.0 t-20 -89.04 133.67 34.27 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.956 -1.09 . . . . 0.0 108.208 178.294 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -46.21 -12.57 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.48 -0.762 . . . . 0.0 111.1 -178.425 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 639' ' ' GLU . . . . . 0.519 ' N ' ' O ' ' B' ' 637' ' ' ASN . 17.5 tp10 -82.14 -21.44 36.61 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.932 -1.105 . . . . 0.0 110.945 -179.093 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 640' ' ' ASP . . . . . 0.407 ' O ' ' N ' ' B' ' 644' ' ' ALA . 18.7 m-20 -86.83 -45.82 10.52 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 120.357 -1.464 . . . . 0.0 108.752 178.362 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 641' ' ' VAL . . . . . 0.639 HG13 ' N ' ' B' ' 642' ' ' GLN . 13.2 p -64.24 -51.93 62.28 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.588 0 O-C-N 120.763 -1.21 . . . . 0.0 108.268 178.249 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 642' ' ' GLN . . . . . 0.639 ' N ' HG13 ' B' ' 641' ' ' VAL . 1.6 tm0? -54.85 -33.77 62.14 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.114 -0.991 . . . . 0.0 109.017 179.708 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 643' ' ' LEU . . . . . . . . . . . . . 51.9 tp -84.37 -26.37 28.44 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.307 -0.87 . . . . 0.0 109.175 179.405 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 644' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' B' ' 640' ' ' ASP . . . -87.12 -30.09 21.35 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.817 -1.177 . . . . 0.0 109.381 179.012 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 645' ' ' LEU . . . . . 0.474 HD12 HG22 ' B' ' 641' ' ' VAL . 36.2 mt -87.19 -22.52 25.23 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 120.845 -1.16 . . . . 0.0 109.685 179.412 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 646' ' ' ASN . . . . . . . . . . . . . 18.6 t30 -91.45 -11.29 38.04 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 120.78 -1.2 . . . . 0.0 110.368 -179.523 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 647' ' ' LYS . . . . . . . . . . . . . 30.4 ttmt -93.41 -7.86 43.37 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 120.952 -1.092 . . . . 0.0 109.484 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 648' ' ' HIS . . . . . 0.508 ' NE2' ' OE2' ' B' ' 622' ' ' GLU . 7.3 m-70 -112.55 17.56 19.12 Favored 'General case' 0 N--CA 1.5 2.075 0 O-C-N 121.278 -0.889 . . . . 0.0 109.91 -179.819 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 649' ' ' MET . . . . . . . . . . . . . 17.7 mtt -97.09 99.96 11.46 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.097 -1.002 . . . . 0.0 109.218 179.645 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 650' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 . . . . . 0 N--CA 1.49 1.554 0 CA-C-O 118.025 -0.988 . . . . 0.0 109.444 -179.976 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 279' ' ' ASN . . . . . . . . . . . . . 45.7 t-20 . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 280' ' ' LEU . . . . . 0.569 ' N ' HD22 ' A' ' 280' ' ' LEU . 3.5 mm? -69.95 71.67 0.38 Allowed 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.288 -0.882 . . . . 0.0 109.19 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 281' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -64.87 92.7 0.1 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.318 -0.864 . . . . 0.0 109.439 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 282' ' ' SER . . . . . . . . . . . . . 96.7 p -158.11 91.71 1.13 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.235 -0.915 . . . . 0.0 109.458 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 283' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -157.99 151.3 23.29 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.189 -0.944 . . . . 0.0 109.436 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 284' ' ' MET . . . . . . . . . . . . . 21.6 ptt? -64.04 146.97 53.22 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.244 -0.91 . . . . 0.0 109.509 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 285' ' ' PHE . . . . . 0.436 ' O ' ' O ' ' A' ' 286' ' ' SER . 27.6 p90 -63.67 173.02 1.85 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.198 -0.939 . . . . 0.0 109.217 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 286' ' ' SER . . . . . 0.436 ' O ' ' O ' ' A' ' 285' ' ' PHE . 36.4 t 52.48 100.1 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.265 -0.897 . . . . 0.0 109.461 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 287' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -131.79 74.19 1.57 Allowed 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.475 -0.766 . . . . 0.0 109.271 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 288' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -157.41 -27.53 0.09 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.262 -0.899 . . . . 0.0 109.332 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 289' ' ' PHE . . . . . 0.452 ' C ' ' H ' ' A' ' 291' ' ' PHE . 91.6 m-85 49.96 54.02 11.8 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.252 -0.905 . . . . 0.0 109.512 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 290' ' ' ASN . . . . . . . . . . . . . 34.4 m120 -76.62 26.44 0.13 Allowed 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.275 -0.891 . . . . 0.0 109.399 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 291' ' ' PHE . . . . . 0.452 ' H ' ' C ' ' A' ' 289' ' ' PHE . 60.6 m-85 52.91 40.14 30.39 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.329 -0.857 . . . . 0.0 109.367 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 292' ' ' GLU . . . . . . . . . . . . . 18.5 tp10 -169.6 -22.71 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.221 -0.924 . . . . 0.0 109.379 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 293' ' ' ASN . . . . . . . . . . . . . 63.3 t30 53.63 64.69 1.75 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.276 -0.89 . . . . 0.0 109.489 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 294' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -75.48 179.93 4.96 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.272 -0.893 . . . . 0.0 109.451 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 295' ' ' PHE . . . . . 0.453 ' CE2' ' O ' ' A' ' 296' ' ' ASP . 68.0 t80 -65.48 159.46 24.36 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.214 -0.929 . . . . 0.0 109.526 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 296' ' ' ASP . . . . . 0.453 ' O ' ' CE2' ' A' ' 295' ' ' PHE . 15.0 m-20 -157.41 -115.93 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.304 -0.873 . . . . 0.0 109.49 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 297' ' ' GLU . . . . . 0.416 ' HG2' ' H ' ' A' ' 299' ' ' VAL . 29.6 tt0 -171.01 133.76 0.91 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.191 -0.943 . . . . 0.0 109.39 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 298' ' ' GLN . . . . . 0.417 ' CD ' ' N ' ' A' ' 298' ' ' GLN . 19.9 mp0 -74.42 -18.07 60.7 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.327 -0.858 . . . . 0.0 109.616 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 299' ' ' VAL . . . . . 0.416 ' H ' ' HG2' ' A' ' 297' ' ' GLU . 3.4 t 66.07 120.63 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.391 0 CA-C-O 122.277 1.037 . . . . 0.0 109.983 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 300' ' ' SER . . . . . 0.523 ' C ' ' N ' ' A' ' 302' ' ' PHE . 5.8 m 59.3 26.66 15.54 Favored 'General case' 0 C--N 1.295 -1.773 0 CA-C-N 114.61 -1.177 . . . . 0.0 108.42 -178.478 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 301' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 300' ' ' SER . 6.2 tp10 -46.77 -22.82 0.34 Allowed 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 106.304 -1.739 . . . . 0.0 106.304 177.036 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 302' ' ' PHE . . . . . 0.523 ' N ' ' C ' ' A' ' 300' ' ' SER . 75.5 t80 -71.66 -59.12 2.92 Favored 'General case' 0 C--N 1.305 -1.361 0 CA-C-N 114.251 -1.341 . . . . 0.0 109.791 179.014 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 303' ' ' CYS . . . . . . . . . . . . . 1.8 t -75.93 -41.28 52.21 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.253 -0.905 . . . . 0.0 109.505 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 7.1 p -52.36 -29.44 23.86 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.43 -0.794 . . . . 0.0 110.441 -179.397 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -98.71 -13.95 20.0 Favored 'General case' 0 N--CA 1.502 2.163 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 178.363 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 306' ' ' MET . . . . . . . . . . . . . 40.7 ttm -74.83 -26.48 59.74 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 120.461 -1.4 . . . . 0.0 107.272 177.085 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 307' ' ' ASN . . . . . 0.437 ' O ' ' C ' ' A' ' 308' ' ' GLN . 19.4 t-20 -80.09 -41.91 24.63 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 105.932 -1.877 . . . . 0.0 105.932 178.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 308' ' ' GLN . . . . . 0.526 ' O ' ' N ' ' A' ' 310' ' ' CYS . 44.6 tt0 -36.29 -41.04 0.25 Allowed 'General case' 0 N--CA 1.502 2.153 0 CA-C-O 121.449 0.642 . . . . 0.0 109.431 178.338 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 309' ' ' VAL . . . . . 0.406 ' H ' HG23 ' A' ' 309' ' ' VAL . 20.0 t -46.24 -15.48 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.879 0 CA-C-O 121.686 0.755 . . . . 0.0 109.31 179.047 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 310' ' ' CYS . . . . . 0.526 ' N ' ' O ' ' A' ' 308' ' ' GLN . 33.7 m -87.61 -30.43 20.48 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.647 -0.658 . . . . 0.0 109.454 179.474 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 311' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 308' ' ' GLN . . . -54.14 116.77 6.62 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.63 -1.388 . . . . 0.0 109.63 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 312' ' ' THR . . . . . 0.429 ' O ' ' OXT' ' A' ' 313' ' ' ARG . 0.8 OUTLIER -91.65 140.37 29.79 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.193 -1.181 . . . . 0.0 109.477 179.943 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 313' ' ' ARG . . . . . 0.429 ' OXT' ' O ' ' A' ' 312' ' ' THR . 38.7 ttp180 . . . . . 0 N--CA 1.491 1.62 0 CA-C-O 117.963 -1.018 . . . . 0.0 109.49 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 565' ' ' ASN . . . . . . . . . . . . . 23.7 p30 . . . . . 0 N--CA 1.49 1.547 0 CA-C-O 121.299 0.571 . . . . 0.0 109.462 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 566' ' ' GLY . . . . . . . . . . . . . . . -65.35 -115.38 0.01 OUTLIER Glycine 0 N--CA 1.492 2.385 0 N-CA-C 109.56 -1.416 . . . . 0.0 109.56 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 567' ' ' SER . . . . . . . . . . . . . 30.9 t -171.73 10.22 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.272 -1.134 . . . . 0.0 109.508 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 568' ' ' SER . . . . . . . . . . . . . 48.4 t -79.09 -8.04 58.64 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.253 -0.904 . . . . 0.0 109.476 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 569' ' ' LEU . . . . . 0.558 HD22 ' N ' ' B' ' 569' ' ' LEU . 3.5 mm? -70.0 -12.58 61.72 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.278 -0.889 . . . . 0.0 109.154 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 570' ' ' GLN . . . . . . . . . . . . . 94.5 mm-40 -59.64 115.53 3.39 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.204 -0.935 . . . . 0.0 109.476 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 571' ' ' ASN . . . . . . . . . . . . . 75.5 m-80 -157.68 159.81 37.32 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.322 -0.861 . . . . 0.0 109.364 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -69.97 -25.92 63.85 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.26 -0.9 . . . . 0.0 109.491 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 573' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -168.12 -162.46 0.42 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.234 -0.916 . . . . 0.0 109.412 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 574' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -65.88 -103.48 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.241 -0.912 . . . . 0.0 109.434 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 575' ' ' ILE . . . . . . . . . . . . . 77.2 mt -73.9 -74.52 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.235 -0.915 . . . . 0.0 109.442 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 576' ' ' ASN . . . . . . . . . . . . . 37.1 t30 -170.14 70.43 0.06 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.31 -0.869 . . . . 0.0 109.447 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 577' ' ' ASN . . . . . . . . . . . . . 32.8 m120 -68.07 -83.07 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.309 -0.869 . . . . 0.0 109.509 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 578' ' ' GLY . . . . . . . . . . . . . . . 67.45 19.94 71.21 Favored Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.557 -1.417 . . . . 0.0 109.557 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 579' ' ' ASN . . . . . . . . . . . . . 33.6 m120 -158.23 -70.11 0.09 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.306 -1.114 . . . . 0.0 109.483 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 580' ' ' ASP . . . . . . . . . . . . . 65.8 t0 -65.29 -112.94 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.286 -0.884 . . . . 0.0 109.454 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 581' ' ' ASN . . . . . . . . . . . . . 52.1 t30 51.77 -113.12 0.71 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.17 -0.956 . . . . 0.0 109.433 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 582' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -65.95 -168.63 0.05 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.25 -0.906 . . . . 0.0 109.566 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 583' ' ' ASN . . . . . 0.492 ' CG ' ' H ' ' B' ' 584' ' ' ASP . 8.9 t-20 -169.35 -164.1 0.44 Allowed 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.244 -0.91 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 584' ' ' ASP . . . . . 0.492 ' H ' ' CG ' ' B' ' 583' ' ' ASN . 7.8 p-10 -162.98 65.33 0.19 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.284 -0.885 . . . . 0.0 109.429 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 585' ' ' ASN . . . . . 0.411 ' O ' ' O ' ' B' ' 586' ' ' ASP . 49.7 m-20 51.81 -132.32 1.95 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.352 -0.842 . . . . 0.0 109.43 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 586' ' ' ASP . . . . . 0.411 ' O ' ' O ' ' B' ' 585' ' ' ASN . 3.9 m-20 -56.14 -167.79 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.332 -0.855 . . . . 0.0 109.267 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 587' ' ' VAL . . . . . . . . . . . . . 2.4 p -176.09 153.99 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.29 0 O-C-N 121.356 -0.84 . . . . 0.0 108.849 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 588' ' ' VAL . . . . . . . . . . . . . 4.0 m -105.82 151.66 40.01 Favored Pre-proline 0 N--CA 1.499 2.022 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 589' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -57.2 176.14 0.28 Allowed 'Trans proline' 0 C--N 1.324 -0.755 0 C-N-CA 120.983 1.122 . . . . 0.0 109.583 179.452 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 590' ' ' SER . . . . . . . . . . . . . 61.1 m -78.43 43.32 0.46 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.201 -0.937 . . . . 0.0 109.259 179.744 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 591' ' ' LYS . . . . . 0.428 ' HZ2' ' HB3' ' B' ' 591' ' ' LYS . 17.6 ttpp -166.28 140.28 4.24 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.365 -0.834 . . . . 0.0 109.267 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 20.9 pt-20 -170.35 135.89 1.3 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.281 -0.887 . . . . 0.0 109.308 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 593' ' ' GLY . . . . . . . . . . . . . . . 148.33 36.3 0.05 OUTLIER Glycine 0 N--CA 1.493 2.475 0 N-CA-C 109.35 -1.5 . . . . 0.0 109.35 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 594' ' ' SER . . . . . . . . . . . . . 64.8 m -80.4 164.96 22.69 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.116 -1.226 . . . . 0.0 110.176 -179.741 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 595' ' ' LEU . . . . . 0.566 ' N ' HD12 ' B' ' 595' ' ' LEU . 7.3 mp -89.79 118.45 29.4 Favored 'General case' 0 C--N 1.299 -1.62 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 179.718 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 596' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -125.86 148.81 49.06 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.41 -0.806 . . . . 0.0 109.411 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 597' ' ' ARG . . . . . 0.559 ' H ' ' NE ' ' B' ' 597' ' ' ARG . 0.1 OUTLIER -73.66 -173.74 1.56 Allowed 'General case' 0 N--CA 1.494 1.77 0 CA-C-O 122.025 0.917 . . . . 0.0 110.763 -179.235 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 598' ' ' CYS . . . . . . . . . . . . . 2.5 p -71.46 -88.45 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.756 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.746 -177.796 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 13.5 t -43.09 -26.73 0.17 Allowed 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.452 -0.78 . . . . 0.0 110.406 -178.188 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 600' ' ' GLU . . . . . 0.505 ' CD ' ' HE ' ' B' ' 597' ' ' ARG . 77.2 mt-10 -56.29 -23.05 34.14 Favored 'General case' 0 C--N 1.302 -1.483 0 C-N-CA 118.266 -1.374 . . . . 0.0 107.854 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 601' ' ' ILE . . . . . 0.585 ' O ' ' N ' ' B' ' 604' ' ' ARG . 1.3 mp -73.0 -36.03 50.09 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.139 0 N-CA-C 106.676 -1.601 . . . . 0.0 106.676 179.322 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 602' ' ' TRP . . . . . 0.408 ' C ' ' O ' ' B' ' 601' ' ' ILE . 48.0 t-105 -46.4 -35.04 5.13 Favored 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 106.944 -1.502 . . . . 0.0 106.944 178.884 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 603' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -69.59 -39.46 77.29 Favored 'General case' 0 C--N 1.304 -1.396 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 177.555 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 604' ' ' ARG . . . . . 0.585 ' N ' ' O ' ' B' ' 601' ' ' ILE . 21.5 mmm180 -57.98 -28.43 64.38 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.285 -0.884 . . . . 0.0 109.457 179.095 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 605' ' ' ILE . . . . . 0.484 ' N ' HD12 ' B' ' 605' ' ' ILE . 1.9 mp -86.18 -45.28 16.85 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.885 0 O-C-N 121.313 -0.867 . . . . 0.0 110.411 -179.224 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 606' ' ' THR . . . . . . . . . . . . . 40.4 p -52.33 -35.99 52.25 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.89 -1.131 . . . . 0.0 110.188 -178.793 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 607' ' ' THR . . . . . . . . . . . . . 59.1 p -76.68 16.36 0.52 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.069 -1.019 . . . . 0.0 109.971 -179.661 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 608' ' ' HIS . . . . . 0.523 ' NE2' ' O ' ' B' ' 604' ' ' ARG . 4.2 m-70 -125.24 111.03 26.49 Favored Pre-proline 0 N--CA 1.501 2.09 0 O-C-N 121.389 -0.82 . . . . 0.0 109.743 -179.596 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 609' ' ' PRO . . . . . 0.47 ' C ' ' H ' ' B' ' 611' ' ' TYR . 2.6 Cg_exo -58.2 -35.69 98.5 Favored 'Trans proline' 0 C--O 1.215 -0.669 0 C-N-CA 120.802 1.001 . . . . 0.0 109.811 179.453 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 610' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -70.8 42.65 0.07 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.105 -0.997 . . . . 0.0 108.997 179.665 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 611' ' ' TYR . . . . . 0.521 ' O ' ' CG ' ' B' ' 611' ' ' TYR . 8.8 t80 -87.15 4.34 42.74 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.397 -0.814 . . . . 0.0 109.516 -179.583 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 612' ' ' SER . . . . . . . . . . . . . 33.5 t -85.54 15.04 4.85 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.255 -0.903 . . . . 0.0 109.926 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 613' ' ' ASP . . . . . 0.539 ' C ' ' H ' ' B' ' 615' ' ' ASP . 13.1 m-20 -159.43 -104.07 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.049 -1.032 . . . . 0.0 110.111 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 614' ' ' ILE . . . . . 0.501 ' O ' HG22 ' B' ' 614' ' ' ILE . 56.7 mt 51.4 -0.77 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.811 0 O-C-N 121.253 -0.904 . . . . 0.0 111.117 179.645 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 615' ' ' ASP . . . . . 0.539 ' H ' ' C ' ' B' ' 613' ' ' ASP . 40.3 t0 54.3 88.46 0.04 OUTLIER 'General case' 0 N--CA 1.487 1.411 0 O-C-N 120.346 -1.471 . . . . 0.0 108.986 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 616' ' ' VAL . . . . . . . . . . . . . 28.4 m -72.38 -26.47 24.52 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 O-C-N 121.277 -0.889 . . . . 0.0 108.897 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 617' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -76.32 -40.08 52.36 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.433 -0.792 . . . . 0.0 110.109 -179.5 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 618' ' ' GLY . . . . . . . . . . . . . . . -70.7 -46.24 47.77 Favored Glycine 0 N--CA 1.488 2.156 0 C-N-CA 119.607 -1.282 . . . . 0.0 110.053 -179.681 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 619' ' ' LEU . . . . . 0.684 ' C ' HD12 ' B' ' 619' ' ' LEU . 1.8 pp -65.46 -19.67 66.03 Favored 'General case' 0 N--CA 1.486 1.329 0 O-C-N 120.826 -1.396 . . . . 0.0 108.561 -179.774 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 620' ' ' CYS . . . . . . . . . . . . . 48.7 t -71.81 -49.24 40.35 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.453 -0.779 . . . . 0.0 109.741 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 95.0 p -76.9 -2.15 32.08 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.854 -1.154 . . . . 0.0 108.705 179.408 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 622' ' ' GLU . . . . . . . . . . . . . 54.6 tt0 -100.6 -60.11 1.58 Allowed 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 176.775 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 623' ' ' LEU . . . . . . . . . . . . . 4.3 tp -61.4 -32.46 72.4 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.116 -0.99 . . . . 0.0 109.879 179.817 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 624' ' ' MET . . . . . . . . . . . . . 18.0 ttt -75.2 -28.22 59.9 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.289 -0.882 . . . . 0.0 112.408 -177.682 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 625' ' ' ALA . . . . . . . . . . . . . . . -102.64 -16.65 15.98 Favored 'General case' 0 N--CA 1.508 2.462 0 O-C-N 120.723 -1.235 . . . . 0.0 109.878 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 626' ' ' LYS . . . . . . . . . . . . . 5.8 mptp? -75.42 -4.28 38.57 Favored 'General case' 0 C--N 1.299 -1.59 0 N-CA-C 105.277 -2.12 . . . . 0.0 105.277 176.141 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 627' ' ' ALA . . . . . . . . . . . . . . . -42.56 135.28 2.85 Favored 'General case' 0 N--CA 1.492 1.64 0 CA-C-N 115.129 -0.942 . . . . 0.0 111.745 -179.478 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 628' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -107.2 91.77 3.8 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 107.549 -1.278 . . . . 0.0 107.549 178.264 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 629' ' ' CYS . . . . . . . . . . . . . 25.0 t -58.31 122.17 12.59 Favored 'General case' 0 N--CA 1.493 1.698 0 CA-C-O 122.53 1.157 . . . . 0.0 111.799 -177.791 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 630' ' ' SER . . . . . . . . . . . . . 46.9 t -142.91 160.94 39.39 Favored 'General case' 0 N--CA 1.495 1.784 0 N-CA-C 107.515 -1.291 . . . . 0.0 107.515 178.446 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 631' ' ' GLU . . . . . 0.517 ' C ' ' H ' ' B' ' 633' ' ' GLY . 10.4 mm-40 -64.98 -21.08 66.79 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.28 -1.513 . . . . 0.0 109.243 -179.737 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 21.3 mmm180 -79.58 33.44 0.25 Allowed 'General case' 0 N--CA 1.493 1.684 0 N-CA-C 107.181 -1.415 . . . . 0.0 107.181 177.651 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 633' ' ' GLY . . . . . 0.517 ' H ' ' C ' ' B' ' 631' ' ' GLU . . . 72.62 -168.1 53.2 Favored Glycine 0 N--CA 1.491 2.311 0 N-CA-C 107.294 -2.322 . . . . 0.0 107.294 -178.256 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 634' ' ' VAL . . . . . . . . . . . . . 7.9 p -78.59 148.82 5.93 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.407 0 O-C-N 120.239 -1.742 . . . . 0.0 109.523 179.564 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 33.3 m -139.66 138.26 39.28 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.922 0 O-C-N 121.107 -0.996 . . . . 0.0 108.524 178.334 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 636' ' ' ILE . . . . . . . . . . . . . 22.1 mm -114.57 137.15 48.9 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.902 0 O-C-N 121.669 -0.644 . . . . 0.0 109.515 -179.259 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 637' ' ' ASN . . . . . 0.509 ' O ' ' N ' ' B' ' 639' ' ' GLU . 9.4 m-80 -83.54 133.02 34.89 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.745 -1.222 . . . . 0.0 107.93 178.466 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -45.76 -14.92 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.512 -0.742 . . . . 0.0 110.846 -177.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 639' ' ' GLU . . . . . 0.509 ' N ' ' O ' ' B' ' 637' ' ' ASN . 66.4 mt-10 -84.14 -21.98 31.2 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.031 -1.043 . . . . 0.0 111.14 -178.855 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 640' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -84.12 -42.23 16.26 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 120.268 -1.52 . . . . 0.0 108.135 178.559 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 641' ' ' VAL . . . . . 0.607 HG13 ' N ' ' B' ' 642' ' ' GLN . 7.4 p -61.88 -51.43 72.7 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.544 0 N-CA-C 107.823 -1.177 . . . . 0.0 107.823 177.19 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 642' ' ' GLN . . . . . 0.607 ' N ' HG13 ' B' ' 641' ' ' VAL . 76.0 mt-30 -52.37 -33.98 45.62 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.082 -1.011 . . . . 0.0 109.647 179.718 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 643' ' ' LEU . . . . . . . . . . . . . 19.2 mt -81.13 -25.99 36.47 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.141 -0.974 . . . . 0.0 109.357 179.347 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 644' ' ' ALA . . . . . . . . . . . . . . . -87.47 -28.91 21.78 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.493 -1.379 . . . . 0.0 109.643 179.255 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 645' ' ' LEU . . . . . 0.475 ' O ' ' N ' ' B' ' 647' ' ' LYS . 41.9 mt -89.07 -69.31 0.72 Allowed 'General case' 0 N--CA 1.498 1.93 0 O-C-N 120.645 -1.284 . . . . 0.0 109.947 179.644 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 646' ' ' ASN . . . . . . . . . . . . . 65.9 m-20 -47.16 -15.54 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.287 -0.883 . . . . 0.0 110.392 -178.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 647' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' B' ' 645' ' ' LEU . 30.4 tttm -89.53 163.31 15.27 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.052 -1.03 . . . . 0.0 110.013 -179.486 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 648' ' ' HIS . . . . . . . . . . . . . 7.4 m80 65.69 27.81 11.23 Favored 'General case' 0 N--CA 1.493 1.692 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 -179.579 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 649' ' ' MET . . . . . . . . . . . . . 7.2 mmt -95.76 136.75 35.76 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.239 -0.913 . . . . 0.0 109.431 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 650' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 . . . . . 0 N--CA 1.49 1.566 0 CA-C-O 118.006 -0.997 . . . . 0.0 109.392 -179.922 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 279' ' ' ASN . . . . . . . . . . . . . 29.2 m120 . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 280' ' ' LEU . . . . . 0.579 HD23 ' H ' ' A' ' 280' ' ' LEU . 0.2 OUTLIER -84.06 4.21 31.12 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.203 -0.936 . . . . 0.0 109.079 179.94 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 281' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -157.29 44.98 0.37 Allowed 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.245 -0.909 . . . . 0.0 109.393 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 282' ' ' SER . . . . . . . . . . . . . 8.8 t -177.45 -44.38 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.317 -0.864 . . . . 0.0 109.397 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 283' ' ' ASN . . . . . . . . . . . . . 7.5 m120 56.83 11.79 1.01 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.424 -0.798 . . . . 0.0 109.362 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 284' ' ' MET . . . . . . . . . . . . . 66.4 mtm -153.28 171.37 18.66 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.206 -0.934 . . . . 0.0 109.252 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 285' ' ' PHE . . . . . 0.423 ' C ' ' H ' ' A' ' 287' ' ' ASN . 98.5 m-85 -58.69 171.45 0.64 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.288 -0.882 . . . . 0.0 109.505 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 286' ' ' SER . . . . . . . . . . . . . 48.8 m -62.33 -2.16 0.94 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.186 -0.946 . . . . 0.0 109.359 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 287' ' ' ASN . . . . . 0.423 ' H ' ' C ' ' A' ' 285' ' ' PHE . 27.5 m120 -61.41 164.94 5.12 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.335 -0.853 . . . . 0.0 109.596 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 288' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -170.1 37.88 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.248 -0.907 . . . . 0.0 109.489 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 289' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 52.88 20.75 1.73 Allowed 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.198 -0.939 . . . . 0.0 109.429 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 290' ' ' ASN . . . . . 0.528 ' O ' ' N ' ' A' ' 292' ' ' GLU . 0.8 OUTLIER -76.16 -37.57 57.76 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.24 -0.912 . . . . 0.0 109.437 -179.936 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 291' ' ' PHE . . . . . . . . . . . . . 25.7 t80 65.21 -42.08 0.32 Allowed 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.766 -0.584 . . . . 0.0 109.902 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 292' ' ' GLU . . . . . 0.528 ' N ' ' O ' ' A' ' 290' ' ' ASN . 67.8 mt-10 -58.07 -65.37 0.66 Allowed 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.033 -1.042 . . . . 0.0 109.645 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 293' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -75.94 -178.09 4.17 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.191 -0.943 . . . . 0.0 109.616 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 294' ' ' GLN . . . . . 0.425 ' OE1' ' O ' ' A' ' 294' ' ' GLN . 1.2 pp0? -163.64 48.42 0.13 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.349 -0.844 . . . . 0.0 109.385 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 295' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -48.96 -62.58 1.45 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.268 -0.895 . . . . 0.0 109.549 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . 16.4 t70 55.98 50.53 13.66 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.293 -0.879 . . . . 0.0 109.556 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 297' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 53.02 72.19 0.44 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.27 -0.894 . . . . 0.0 109.564 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 298' ' ' GLN . . . . . . . . . . . . . 13.5 tm0? -89.06 -27.37 20.85 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.298 -0.876 . . . . 0.0 109.34 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 299' ' ' VAL . . . . . . . . . . . . . 12.9 t -89.66 -117.06 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.289 -0.882 . . . . 0.0 109.61 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 300' ' ' SER . . . . . 0.522 ' C ' ' N ' ' A' ' 302' ' ' PHE . 11.5 m 53.02 21.48 2.08 Favored 'General case' 0 C--N 1.294 -1.842 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 -177.217 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 301' ' ' GLU . . . . . 0.458 ' C ' ' O ' ' A' ' 300' ' ' SER . 6.5 pt-20 -43.16 -27.27 0.21 Allowed 'General case' 0 N--CA 1.497 1.891 0 N-CA-C 106.59 -1.633 . . . . 0.0 106.59 178.411 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 302' ' ' PHE . . . . . 0.522 ' N ' ' C ' ' A' ' 300' ' ' SER . 81.3 t80 -70.34 -64.53 0.88 Allowed 'General case' 0 C--N 1.298 -1.641 0 CA-C-N 113.658 -1.61 . . . . 0.0 109.192 178.427 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 303' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -68.48 -48.6 64.03 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.335 -0.853 . . . . 0.0 109.041 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 304' ' ' SER . . . . . 0.473 ' N ' ' O ' ' A' ' 300' ' ' SER . 18.9 m -48.68 -22.47 0.79 Allowed 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.432 -0.792 . . . . 0.0 110.668 -179.567 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . 62.7 mmtt -101.74 -14.41 17.35 Favored 'General case' 0 N--CA 1.505 2.313 0 O-C-N 120.948 -1.095 . . . . 0.0 109.09 178.412 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 306' ' ' MET . . . . . . . . . . . . . 9.9 mmm -74.25 -24.28 59.27 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 120.438 -1.414 . . . . 0.0 107.343 177.071 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 307' ' ' ASN . . . . . 0.447 ' O ' ' C ' ' A' ' 308' ' ' GLN . 50.7 t-20 -86.37 -41.04 14.82 Favored 'General case' 0 N--CA 1.493 1.717 0 N-CA-C 106.184 -1.784 . . . . 0.0 106.184 178.31 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 308' ' ' GLN . . . . . 0.531 ' O ' ' N ' ' A' ' 310' ' ' CYS . 9.3 tp-100 -35.57 -39.6 0.14 Allowed 'General case' 0 N--CA 1.504 2.241 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.372 178.819 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 309' ' ' VAL . . . . . 0.425 ' H ' HG23 ' A' ' 309' ' ' VAL . 4.0 t -46.33 -15.18 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.91 0 C-N-CA 119.819 -0.752 . . . . 0.0 109.364 178.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 310' ' ' CYS . . . . . 0.531 ' N ' ' O ' ' A' ' 308' ' ' GLN . 6.7 m -88.18 -38.76 15.05 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.5 -0.75 . . . . 0.0 109.313 179.388 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 311' ' ' GLY . . . . . . . . . . . . . . . -81.68 116.93 4.31 Favored Glycine 0 N--CA 1.492 2.411 0 N-CA-C 109.578 -1.409 . . . . 0.0 109.578 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 312' ' ' THR . . . . . . . . . . . . . 1.3 t -115.89 145.8 42.58 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.568 -0.96 . . . . 0.0 109.421 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 313' ' ' ARG . . . . . 0.547 ' CG ' HH11 ' A' ' 313' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.597 0 CA-C-O 117.998 -1.001 . . . . 0.0 109.308 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 565' ' ' ASN . . . . . 0.783 ' N ' HD21 ' B' ' 565' ' ' ASN . 0.6 OUTLIER . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 566' ' ' GLY . . . . . . . . . . . . . . . -177.62 -29.72 0.04 OUTLIER Glycine 0 N--CA 1.489 2.199 0 N-CA-C 109.493 -1.443 . . . . 0.0 109.493 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 567' ' ' SER . . . . . . . . . . . . . 87.1 p -59.89 98.9 0.06 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.305 -1.115 . . . . 0.0 109.445 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 568' ' ' SER . . . . . . . . . . . . . 53.5 m -67.82 -66.51 0.55 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.225 -0.922 . . . . 0.0 109.483 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 569' ' ' LEU . . . . . 0.509 HD23 ' O ' ' B' ' 569' ' ' LEU . 1.0 OUTLIER -169.87 -42.33 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.294 -0.878 . . . . 0.0 109.058 -179.945 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 570' ' ' GLN . . . . . . . . . . . . . 21.3 pt20 -47.9 148.47 1.63 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.232 -0.917 . . . . 0.0 109.623 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 571' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -171.31 -26.68 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.178 -0.951 . . . . 0.0 109.538 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -170.66 -52.87 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.242 -0.911 . . . . 0.0 109.452 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 573' ' ' ASP . . . . . 0.422 ' O ' ' O ' ' B' ' 574' ' ' LYS . 38.8 t70 -169.32 30.96 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.283 -0.886 . . . . 0.0 109.477 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 574' ' ' LYS . . . . . 0.422 ' O ' ' O ' ' B' ' 573' ' ' ASP . 46.7 mttp 55.34 169.65 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.281 -0.887 . . . . 0.0 109.523 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 575' ' ' ILE . . . . . 0.425 ' O ' ' O ' ' B' ' 576' ' ' ASN . 19.8 pt -80.22 13.65 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 O-C-N 121.269 -0.894 . . . . 0.0 109.383 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 576' ' ' ASN . . . . . 0.425 ' O ' ' O ' ' B' ' 575' ' ' ILE . 9.1 t-20 57.78 160.45 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.348 -0.845 . . . . 0.0 109.579 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 577' ' ' ASN . . . . . 0.443 ' C ' ' H ' ' B' ' 579' ' ' ASN . 31.0 m120 -81.93 -20.37 38.81 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.283 -0.886 . . . . 0.0 109.332 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 578' ' ' GLY . . . . . . . . . . . . . . . 75.18 -35.78 1.1 Allowed Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.647 -1.381 . . . . 0.0 109.647 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 579' ' ' ASN . . . . . 0.443 ' H ' ' C ' ' B' ' 577' ' ' ASN . 12.2 m120 -66.99 171.84 5.08 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.199 -1.177 . . . . 0.0 109.385 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 580' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -67.92 103.48 1.48 Allowed 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.235 -0.916 . . . . 0.0 109.322 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 581' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -75.31 -43.51 50.59 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.27 -0.894 . . . . 0.0 109.417 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 582' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -65.18 147.01 54.22 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.317 -0.865 . . . . 0.0 109.394 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 583' ' ' ASN . . . . . . . . . . . . . 19.1 p30 -75.09 125.43 28.92 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.269 -0.895 . . . . 0.0 109.393 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 584' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -78.46 4.47 13.11 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.265 -0.897 . . . . 0.0 109.567 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 585' ' ' ASN . . . . . 0.51 ' O ' ' N ' ' B' ' 587' ' ' VAL . 52.8 t-20 -67.39 -66.17 0.59 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.221 -0.924 . . . . 0.0 109.564 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 586' ' ' ASP . . . . . 0.41 ' N ' ' OD1' ' B' ' 586' ' ' ASP . 0.7 OUTLIER -68.22 58.6 0.08 Allowed 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.174 -0.954 . . . . 0.0 109.483 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 587' ' ' VAL . . . . . 0.51 ' N ' ' O ' ' B' ' 585' ' ' ASN . 4.0 p -78.41 -15.45 13.85 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 CA-C-O 122.376 1.084 . . . . 0.0 109.171 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 588' ' ' VAL . . . . . 0.541 ' O ' HG13 ' B' ' 588' ' ' VAL . 7.2 p -151.83 70.02 7.86 Favored Pre-proline 0 C--N 1.283 -2.301 0 CA-C-N 115.147 -0.933 . . . . 0.0 109.316 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 589' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -62.79 178.3 1.05 Allowed 'Trans proline' 0 C--N 1.319 -1.019 0 C-N-CA 121.442 1.428 . . . . 0.0 109.764 -179.56 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 590' ' ' SER . . . . . . . . . . . . . 23.9 p 53.46 36.12 22.36 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.233 -0.917 . . . . 0.0 109.205 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 591' ' ' LYS . . . . . . . . . . . . . 58.1 pttt -65.63 167.08 9.6 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.327 -0.858 . . . . 0.0 109.271 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -69.95 -161.36 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.263 -0.898 . . . . 0.0 109.404 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 593' ' ' GLY . . . . . . . . . . . . . . . -150.79 112.33 0.54 Allowed Glycine 0 N--CA 1.493 2.442 0 N-CA-C 109.054 -1.618 . . . . 0.0 109.054 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 594' ' ' SER . . . . . . . . . . . . . 45.7 m -81.41 159.45 24.3 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.21 -1.171 . . . . 0.0 110.188 -179.452 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 595' ' ' LEU . . . . . 0.545 ' N ' HD12 ' B' ' 595' ' ' LEU . 8.7 mp -73.6 121.65 21.01 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 108.085 -1.08 . . . . 0.0 108.085 179.078 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 596' ' ' LEU . . . . . 0.514 ' O ' ' N ' ' B' ' 636' ' ' ILE . 9.7 mt -127.96 144.27 51.1 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.416 -0.803 . . . . 0.0 109.357 -178.611 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 597' ' ' ARG . . . . . . . . . . . . . 46.4 mtm180 -87.07 -146.17 0.13 Allowed 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.195 -0.94 . . . . 0.0 110.769 -179.036 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 598' ' ' CYS . . . . . 0.664 ' SG ' ' N ' ' B' ' 599' ' ' SER . 0.0 OUTLIER -90.88 -72.73 0.56 Allowed 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.355 -0.841 . . . . 0.0 109.929 -178.606 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 599' ' ' SER . . . . . 0.664 ' N ' ' SG ' ' B' ' 598' ' ' CYS . 39.7 t -52.9 -27.61 19.46 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.579 -1.326 . . . . 0.0 107.909 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 600' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -46.83 -39.76 12.54 Favored 'General case' 0 C--N 1.3 -1.549 0 CA-C-O 122.332 1.063 . . . . 0.0 108.75 179.232 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 601' ' ' ILE . . . . . 0.605 ' O ' ' N ' ' B' ' 604' ' ' ARG . 1.5 mp -70.19 -33.16 53.5 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.189 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 -178.302 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 602' ' ' TRP . . . . . 0.434 ' N ' ' O ' ' B' ' 599' ' ' SER . 58.9 t-105 -44.13 -38.83 3.89 Favored 'General case' 0 N--CA 1.494 1.77 0 N-CA-C 107.582 -1.266 . . . . 0.0 107.582 179.399 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 603' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -68.69 -41.44 79.19 Favored 'General case' 0 C--N 1.303 -1.413 0 N-CA-C 107.563 -1.273 . . . . 0.0 107.563 177.211 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 604' ' ' ARG . . . . . 0.605 ' N ' ' O ' ' B' ' 601' ' ' ILE . 3.8 mmp_? -58.62 -21.56 53.92 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.424 -0.798 . . . . 0.0 109.532 178.824 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 605' ' ' ILE . . . . . . . . . . . . . 20.9 mm -88.35 -49.21 14.51 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.129 0 O-C-N 121.287 -0.883 . . . . 0.0 110.738 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 606' ' ' THR . . . . . . . . . . . . . 63.8 p -48.12 -40.82 24.75 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.199 -0.938 . . . . 0.0 110.89 -178.375 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 607' ' ' THR . . . . . 0.614 HG23 ' N ' ' B' ' 608' ' ' HIS . 8.9 t -49.81 -47.96 51.01 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.081 -1.012 . . . . 0.0 109.726 -179.602 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 608' ' ' HIS . . . . . 0.614 ' N ' HG23 ' B' ' 607' ' ' THR . 80.5 m80 -59.36 115.04 10.79 Favored Pre-proline 0 N--CA 1.491 1.608 0 O-C-N 121.161 -0.962 . . . . 0.0 109.13 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 609' ' ' PRO . . . . . 0.511 ' O ' ' N ' ' B' ' 611' ' ' TYR . 2.0 Cg_endo -62.01 -62.31 0.13 Allowed 'Trans proline' 0 CA--C 1.537 0.671 0 N-CA-C 109.706 -0.921 . . . . 0.0 109.706 -179.675 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 610' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -67.05 62.69 0.05 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.366 -0.834 . . . . 0.0 109.349 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 611' ' ' TYR . . . . . 0.611 ' O ' ' CG ' ' B' ' 611' ' ' TYR . 3.3 t80 -81.96 44.43 0.84 Allowed 'General case' 0 N--CA 1.492 1.642 0 CA-C-O 121.838 0.828 . . . . 0.0 109.121 -179.612 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 612' ' ' SER . . . . . . . . . . . . . 96.5 p -128.48 23.86 5.87 Favored 'General case' 0 N--CA 1.502 2.174 0 O-C-N 121.067 -1.021 . . . . 0.0 109.967 -179.482 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 613' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -172.38 78.92 0.05 Allowed 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.217 -0.927 . . . . 0.0 109.45 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 614' ' ' ILE . . . . . 0.552 ' O ' HG22 ' B' ' 614' ' ' ILE . 38.5 mt -142.26 5.3 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.941 0 O-C-N 121.161 -0.962 . . . . 0.0 109.029 -179.463 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 615' ' ' ASP . . . . . . . . . . . . . 12.4 t70 59.1 86.56 0.09 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 120.583 -1.323 . . . . 0.0 108.202 -179.699 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 616' ' ' VAL . . . . . . . . . . . . . 4.3 p -81.03 -22.34 10.87 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 O-C-N 121.547 -0.721 . . . . 0.0 109.694 -179.567 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 617' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -70.6 -43.71 68.79 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.283 -0.886 . . . . 0.0 110.328 -179.624 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 618' ' ' GLY . . . . . . . . . . . . . . . -70.03 -52.36 19.16 Favored Glycine 0 N--CA 1.491 2.353 0 N-CA-C 109.862 -1.295 . . . . 0.0 109.862 -179.59 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 619' ' ' LEU . . . . . 0.715 ' C ' HD12 ' B' ' 619' ' ' LEU . 0.7 OUTLIER -56.56 -19.26 14.95 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.185 -1.185 . . . . 0.0 108.899 -179.923 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 620' ' ' CYS . . . . . . . . . . . . . 41.8 t -74.08 -45.24 50.5 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.072 -1.018 . . . . 0.0 110.228 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 16.9 m -79.56 -0.17 32.36 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 120.822 -1.174 . . . . 0.0 109.24 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 622' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 -90.19 -43.84 10.15 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.43 -0.794 . . . . 0.0 109.779 177.838 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 623' ' ' LEU . . . . . . . . . . . . . 9.4 mp -85.99 -21.97 27.55 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 120.914 -1.116 . . . . 0.0 110.097 -179.281 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 624' ' ' MET . . . . . . . . . . . . . 15.0 ttt -61.04 -34.88 75.57 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.068 -1.02 . . . . 0.0 111.478 -178.598 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 625' ' ' ALA . . . . . 0.475 ' C ' ' N ' ' B' ' 627' ' ' ALA . . . -105.29 -33.61 8.15 Favored 'General case' 0 N--CA 1.505 2.318 0 O-C-N 120.888 -1.132 . . . . 0.0 110.081 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 626' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -61.24 -11.28 8.86 Favored 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 106.059 -1.83 . . . . 0.0 106.059 177.134 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 627' ' ' ALA . . . . . 0.475 ' N ' ' C ' ' B' ' 625' ' ' ALA . . . -47.35 134.15 11.83 Favored 'General case' 0 N--CA 1.493 1.68 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.459 -179.8 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 628' ' ' LYS . . . . . . . . . . . . . 56.0 mttm -105.41 91.33 3.73 Favored 'General case' 0 N--CA 1.494 1.769 0 N-CA-C 107.224 -1.398 . . . . 0.0 107.224 177.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 629' ' ' CYS . . . . . . . . . . . . . 46.9 t -59.85 137.87 57.95 Favored 'General case' 0 N--CA 1.491 1.607 0 CA-C-O 122.418 1.104 . . . . 0.0 112.345 -177.454 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 630' ' ' SER . . . . . . . . . . . . . 2.0 t -141.68 163.54 32.63 Favored 'General case' 0 N--CA 1.494 1.732 0 N-CA-C 107.197 -1.409 . . . . 0.0 107.197 178.258 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 631' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -70.02 -34.87 73.84 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.329 -1.482 . . . . 0.0 110.486 -178.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 73.8 mtm180 -70.79 -16.93 62.78 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.759 -1.213 . . . . 0.0 108.77 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 633' ' ' GLY . . . . . . . . . . . . . . . 141.91 -179.2 20.09 Favored Glycine 0 N--CA 1.495 2.595 0 N-CA-C 108.629 -1.788 . . . . 0.0 108.629 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 634' ' ' VAL . . . . . 0.493 HG22 ' N ' ' B' ' 635' ' ' VAL . 7.5 p -78.62 160.92 4.41 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.366 0 O-C-N 120.651 -1.5 . . . . 0.0 110.102 -179.826 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 635' ' ' VAL . . . . . 0.493 ' N ' HG22 ' B' ' 634' ' ' VAL . 26.9 m -151.09 143.11 16.67 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 N-CA-C 108.161 -1.051 . . . . 0.0 108.161 178.059 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 636' ' ' ILE . . . . . 0.514 ' N ' ' O ' ' B' ' 596' ' ' LEU . 95.3 mt -133.68 145.17 33.94 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.985 0 O-C-N 121.419 -0.801 . . . . 0.0 110.036 -178.717 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 637' ' ' ASN . . . . . 0.518 ' O ' ' N ' ' B' ' 639' ' ' GLU . 6.6 m-20 -86.43 132.89 33.83 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.28 -0.887 . . . . 0.0 109.67 179.67 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -46.41 -11.81 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.806 -0.559 . . . . 0.0 110.642 -179.616 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 639' ' ' GLU . . . . . 0.518 ' N ' ' O ' ' B' ' 637' ' ' ASN . 52.0 mm-40 -80.71 -20.36 43.01 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.681 -1.262 . . . . 0.0 109.632 179.706 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 640' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -88.19 -25.64 22.81 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 120.611 -1.306 . . . . 0.0 108.372 177.626 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 641' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -87.91 -33.73 6.8 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.778 0 O-C-N 121.269 -0.894 . . . . 0.0 108.877 179.01 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 642' ' ' GLN . . . . . . . . . . . . . 44.3 mm-40 -69.98 -33.0 71.5 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.234 -0.916 . . . . 0.0 108.623 179.147 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 643' ' ' LEU . . . . . . . . . . . . . 58.5 mt -85.93 -18.68 32.02 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.264 -0.897 . . . . 0.0 108.953 178.541 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 644' ' ' ALA . . . . . . . . . . . . . . . -87.14 -32.29 19.95 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.771 -1.205 . . . . 0.0 108.669 178.039 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 645' ' ' LEU . . . . . . . . . . . . . 14.1 mt -86.37 -25.65 25.24 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.284 -0.885 . . . . 0.0 109.526 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 646' ' ' ASN . . . . . . . . . . . . . 57.0 t-20 -90.05 -11.79 40.39 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.006 -1.059 . . . . 0.0 109.389 179.761 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 647' ' ' LYS . . . . . . . . . . . . . 42.3 tttm -86.89 -10.43 53.35 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.262 -0.899 . . . . 0.0 109.694 -179.681 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 648' ' ' HIS . . . . . . . . . . . . . 67.0 m-70 -111.2 22.18 15.49 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.352 -0.843 . . . . 0.0 109.535 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 649' ' ' MET . . . . . . . . . . . . . 15.1 mmt -96.46 103.39 15.3 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.193 -0.942 . . . . 0.0 109.428 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 650' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 . . . . . 0 N--CA 1.49 1.547 0 CA-C-O 117.989 -1.005 . . . . 0.0 109.524 179.992 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 279' ' ' ASN . . . . . . . . . . . . . 19.2 m120 . . . . . 0 N--CA 1.491 1.588 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 280' ' ' LEU . . . . . 0.592 ' N ' HD22 ' A' ' 280' ' ' LEU . 3.4 mm? -70.5 69.3 0.4 Allowed 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.199 -0.938 . . . . 0.0 109.193 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 281' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -71.82 44.59 0.11 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.351 -0.843 . . . . 0.0 109.472 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 282' ' ' SER . . . . . . . . . . . . . 12.3 t 53.26 176.89 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.294 -0.879 . . . . 0.0 109.461 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 283' ' ' ASN . . . . . 0.441 ' O ' ' ND2' ' A' ' 283' ' ' ASN . 4.6 p-10 -170.51 103.64 0.26 Allowed 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.292 -0.88 . . . . 0.0 109.403 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 284' ' ' MET . . . . . . . . . . . . . 59.7 mtt -73.18 129.27 37.69 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.164 -0.96 . . . . 0.0 109.532 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 285' ' ' PHE . . . . . . . . . . . . . 7.1 p90 -63.33 149.69 45.16 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.214 -0.928 . . . . 0.0 109.362 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 286' ' ' SER . . . . . . . . . . . . . 45.6 t -61.9 -175.5 0.07 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.239 -0.913 . . . . 0.0 109.477 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 287' ' ' ASN . . . . . . . . . . . . . 34.7 m120 -57.47 162.81 2.67 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.241 -0.912 . . . . 0.0 109.47 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 288' ' ' ASP . . . . . 0.519 ' O ' ' CG ' ' A' ' 289' ' ' PHE . 26.6 t70 -171.14 49.61 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.253 -0.905 . . . . 0.0 109.463 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 289' ' ' PHE . . . . . 0.519 ' CG ' ' O ' ' A' ' 288' ' ' ASP . 97.1 m-85 -158.11 7.82 0.14 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.258 -0.901 . . . . 0.0 109.37 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 290' ' ' ASN . . . . . 0.511 ' O ' ' CG ' ' A' ' 291' ' ' PHE . 82.9 m-20 -63.81 -84.89 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.244 -0.91 . . . . 0.0 109.519 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 291' ' ' PHE . . . . . 0.511 ' CG ' ' O ' ' A' ' 290' ' ' ASN . 96.8 m-85 -158.18 -72.08 0.09 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.198 -0.938 . . . . 0.0 109.509 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 292' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -171.75 19.75 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.323 -0.861 . . . . 0.0 109.327 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 293' ' ' ASN . . . . . . . . . . . . . 17.6 m-80 -69.02 -59.98 2.67 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.309 -0.87 . . . . 0.0 109.561 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 294' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -168.91 153.47 5.74 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.307 -0.871 . . . . 0.0 109.566 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 295' ' ' PHE . . . . . 0.405 ' CD1' ' N ' ' A' ' 295' ' ' PHE . 14.6 p90 -159.77 129.09 5.23 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.229 -0.919 . . . . 0.0 109.209 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 296' ' ' ASP . . . . . 0.419 ' O ' ' O ' ' A' ' 297' ' ' GLU . 18.2 t0 -59.3 -102.62 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.267 -0.896 . . . . 0.0 109.757 -179.705 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 297' ' ' GLU . . . . . 0.419 ' O ' ' O ' ' A' ' 296' ' ' ASP . 5.7 tp10 61.72 137.62 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.471 -0.768 . . . . 0.0 109.561 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 298' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -79.64 -29.17 40.91 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.21 -0.931 . . . . 0.0 109.696 -179.746 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 299' ' ' VAL . . . . . 0.649 ' O ' HG22 ' A' ' 299' ' ' VAL . 1.6 p -92.39 70.84 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 O-C-N 121.238 -0.914 . . . . 0.0 108.786 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 300' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 304' ' ' SER . 6.0 t -131.64 -130.96 0.19 Allowed 'General case' 0 N--CA 1.489 1.492 0 CA-C-O 121.634 0.73 . . . . 0.0 110.28 -178.083 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 301' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -45.97 -35.41 4.68 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.641 -0.662 . . . . 0.0 109.796 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 302' ' ' PHE . . . . . 0.474 ' CE1' ' SD ' ' A' ' 306' ' ' MET . 50.2 t80 -64.34 -53.6 46.25 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.342 -0.849 . . . . 0.0 109.699 -179.499 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 303' ' ' CYS . . . . . . . . . . . . . 20.9 m -84.35 -42.06 16.14 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.264 -0.897 . . . . 0.0 110.501 -179.303 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 304' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 300' ' ' SER . 22.2 p -61.14 -26.02 67.39 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.196 -0.94 . . . . 0.0 111.197 -178.549 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . 12.3 ttmm -93.17 -28.26 16.4 Favored 'General case' 0 N--CA 1.502 2.163 0 O-C-N 120.758 -1.214 . . . . 0.0 108.231 178.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 306' ' ' MET . . . . . 0.474 ' SD ' ' CE1' ' A' ' 302' ' ' PHE . 40.6 mtp -64.83 -18.68 65.34 Favored 'General case' 0 C--N 1.298 -1.632 0 N-CA-C 107.022 -1.473 . . . . 0.0 107.022 177.322 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 307' ' ' ASN . . . . . 0.456 ' O ' ' C ' ' A' ' 308' ' ' GLN . 80.7 m-20 -83.15 -36.82 24.44 Favored 'General case' 0 N--CA 1.487 1.383 0 N-CA-C 105.837 -1.912 . . . . 0.0 105.837 178.503 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 308' ' ' GLN . . . . . 0.547 ' O ' ' N ' ' A' ' 310' ' ' CYS . 23.8 tp60 -35.8 -38.01 0.11 Allowed 'General case' 0 N--CA 1.508 2.439 0 CA-C-O 121.763 0.792 . . . . 0.0 109.043 178.362 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 309' ' ' VAL . . . . . 0.408 HG23 ' H ' ' A' ' 309' ' ' VAL . 20.4 t -47.09 -12.0 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.87 0 C-N-CA 120.019 -0.672 . . . . 0.0 109.678 179.227 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 310' ' ' CYS . . . . . 0.547 ' N ' ' O ' ' A' ' 308' ' ' GLN . 0.5 OUTLIER -88.66 -74.88 0.45 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.171 -0.956 . . . . 0.0 108.627 178.901 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 311' ' ' GLY . . . . . . . . . . . . . . . -87.4 136.03 13.6 Favored Glycine 0 N--CA 1.493 2.476 0 N-CA-C 109.621 -1.392 . . . . 0.0 109.621 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 312' ' ' THR . . . . . . . . . . . . . 70.5 p -81.25 122.32 27.26 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.151 -1.205 . . . . 0.0 109.404 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 313' ' ' ARG . . . . . 0.575 ' CG ' HH11 ' A' ' 313' ' ' ARG . 0.3 OUTLIER . . . . . 0 N--CA 1.491 1.612 0 CA-C-O 118.073 -0.965 . . . . 0.0 109.432 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 565' ' ' ASN . . . . . . . . . . . . . 60.9 m-80 . . . . . 0 N--CA 1.489 1.51 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 566' ' ' GLY . . . . . . . . . . . . . . . 178.62 175.57 45.8 Favored Glycine 0 N--CA 1.49 2.283 0 N-CA-C 109.544 -1.422 . . . . 0.0 109.544 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 567' ' ' SER . . . . . . . . . . . . . 72.1 m -166.06 71.5 0.14 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.312 -1.11 . . . . 0.0 109.394 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 568' ' ' SER . . . . . . . . . . . . . 86.0 p -169.47 128.83 1.0 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.247 -0.908 . . . . 0.0 109.544 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 569' ' ' LEU . . . . . . . . . . . . . 14.2 mt 55.23 23.53 5.57 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.231 -0.918 . . . . 0.0 109.411 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 570' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 52.43 82.15 0.07 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.251 -0.906 . . . . 0.0 109.531 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 571' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -79.6 -78.83 0.15 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.216 -0.927 . . . . 0.0 109.461 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -57.49 126.29 26.64 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.266 -0.896 . . . . 0.0 109.426 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 573' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -171.41 79.78 0.07 Allowed 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.218 -0.926 . . . . 0.0 109.375 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 574' ' ' LYS . . . . . . . . . . . . . 35.5 ttpt -169.51 -21.87 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.169 -0.957 . . . . 0.0 109.536 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 575' ' ' ILE . . . . . . . . . . . . . 16.8 tt -62.18 -24.3 34.36 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 121.294 -0.879 . . . . 0.0 109.562 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 576' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -66.87 82.94 0.11 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.247 -0.908 . . . . 0.0 109.439 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 577' ' ' ASN . . . . . . . . . . . . . 32.1 m120 -69.06 165.86 19.36 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.259 -0.9 . . . . 0.0 109.444 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 578' ' ' GLY . . . . . . . . . . . . . . . 175.6 41.94 0.05 OUTLIER Glycine 0 N--CA 1.491 2.326 0 N-CA-C 109.432 -1.467 . . . . 0.0 109.432 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 579' ' ' ASN . . . . . 0.419 ' O ' ' OD2' ' B' ' 582' ' ' ASP . 6.5 p-10 -70.12 -10.74 59.75 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.264 -1.139 . . . . 0.0 109.281 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 580' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -80.4 -60.5 2.3 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.382 -0.824 . . . . 0.0 109.483 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 581' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -61.65 -46.53 89.37 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.38 -0.825 . . . . 0.0 109.534 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 582' ' ' ASP . . . . . 0.419 ' OD2' ' O ' ' B' ' 579' ' ' ASN . 53.6 m-20 52.53 -167.55 0.05 Allowed 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.215 -0.928 . . . . 0.0 109.448 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 583' ' ' ASN . . . . . 0.473 ' O ' ' N ' ' B' ' 585' ' ' ASN . 59.5 t-20 -67.69 94.86 0.46 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.216 -0.927 . . . . 0.0 109.467 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 584' ' ' ASP . . . . . . . . . . . . . 29.4 t70 51.01 -92.97 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.265 -0.897 . . . . 0.0 109.525 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 585' ' ' ASN . . . . . 0.473 ' N ' ' O ' ' B' ' 583' ' ' ASN . 14.6 m120 -157.48 84.09 0.91 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.327 -0.858 . . . . 0.0 109.369 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 586' ' ' ASP . . . . . 0.456 ' C ' ' H ' ' B' ' 588' ' ' VAL . 4.8 m-20 -78.84 76.93 5.32 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.25 -0.906 . . . . 0.0 109.576 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 587' ' ' VAL . . . . . . . . . . . . . 2.9 t -74.83 13.23 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 O-C-N 121.382 -0.824 . . . . 0.0 108.957 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 588' ' ' VAL . . . . . 0.456 ' H ' ' C ' ' B' ' 586' ' ' ASP . 3.8 m -145.46 68.66 13.53 Favored Pre-proline 0 N--CA 1.491 1.619 0 O-C-N 121.563 -0.711 . . . . 0.0 109.287 -179.822 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 589' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -59.51 95.28 0.09 OUTLIER 'Trans proline' 0 C--N 1.319 -1.001 0 C-N-CA 121.454 1.436 . . . . 0.0 109.894 -179.548 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 590' ' ' SER . . . . . 0.509 ' O ' ' N ' ' B' ' 592' ' ' GLU . 84.8 p -171.94 -156.5 0.1 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.346 -0.847 . . . . 0.0 109.345 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 591' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -62.31 78.12 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.085 -1.009 . . . . 0.0 109.239 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 592' ' ' GLU . . . . . 0.509 ' N ' ' O ' ' B' ' 590' ' ' SER . 43.4 tt0 -62.14 143.85 56.16 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.261 -0.899 . . . . 0.0 109.596 -179.805 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 593' ' ' GLY . . . . . . . . . . . . . . . 72.93 92.37 0.11 Allowed Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.622 -1.391 . . . . 0.0 109.622 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 594' ' ' SER . . . . . . . . . . . . . 66.3 m -89.14 166.3 13.93 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.094 -1.239 . . . . 0.0 110.305 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 595' ' ' LEU . . . . . . . . . . . . . 37.2 mt -94.76 121.37 36.27 Favored 'General case' 0 C--N 1.298 -1.655 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 596' ' ' LEU . . . . . 0.403 ' CD2' HH21 ' B' ' 604' ' ' ARG . 0.5 OUTLIER -127.4 150.37 49.65 Favored 'General case' 0 N--CA 1.5 2.033 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 597' ' ' ARG . . . . . . . . . . . . . 52.5 mtm180 -87.64 -150.93 0.18 Allowed 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.265 -0.897 . . . . 0.0 110.217 -179.303 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 598' ' ' CYS . . . . . 0.415 ' O ' ' N ' ' B' ' 600' ' ' GLU . 2.1 p -82.92 -90.29 0.08 Allowed 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.358 -0.839 . . . . 0.0 110.643 -178.866 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 599' ' ' SER . . . . . 0.404 ' O ' ' N ' ' B' ' 602' ' ' TRP . 15.3 t -45.14 -23.97 0.21 Allowed 'General case' 0 N--CA 1.495 1.779 0 CA-C-O 121.9 0.857 . . . . 0.0 109.602 -179.255 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 600' ' ' GLU . . . . . 0.415 ' N ' ' O ' ' B' ' 598' ' ' CYS . 18.4 tp10 -48.01 -39.91 21.08 Favored 'General case' 0 C--N 1.304 -1.396 0 CA-C-O 122.616 1.198 . . . . 0.0 108.522 179.459 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 601' ' ' ILE . . . . . 0.546 ' O ' ' N ' ' B' ' 604' ' ' ARG . 1.1 mp -68.26 -34.55 66.85 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.195 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 -178.587 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 602' ' ' TRP . . . . . 0.415 ' C ' ' O ' ' B' ' 601' ' ' ILE . 61.8 t-105 -45.44 -37.89 5.58 Favored 'General case' 0 N--CA 1.495 1.78 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 179.72 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 603' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -66.89 -42.85 84.82 Favored 'General case' 0 C--N 1.303 -1.417 0 N-CA-C 107.625 -1.25 . . . . 0.0 107.625 177.531 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 604' ' ' ARG . . . . . 0.546 ' N ' ' O ' ' B' ' 601' ' ' ILE . 22.3 ttm-85 -57.29 -39.42 75.69 Favored 'General case' 0 N--CA 1.497 1.91 0 CA-C-O 121.881 0.848 . . . . 0.0 109.233 178.82 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 605' ' ' ILE . . . . . . . . . . . . . 76.1 mt -75.37 -49.72 26.54 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.977 0 O-C-N 121.826 -0.546 . . . . 0.0 111.092 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 606' ' ' THR . . . . . . . . . . . . . 43.1 p -60.12 -51.75 68.25 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.844 -1.16 . . . . 0.0 110.324 -178.746 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 607' ' ' THR . . . . . . . . . . . . . 73.4 p -58.09 -46.08 86.08 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.068 -1.02 . . . . 0.0 110.322 -179.328 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 608' ' ' HIS . . . . . 0.529 ' CG ' ' O ' ' B' ' 604' ' ' ARG . 1.4 m-70 -51.13 111.8 2.57 Favored Pre-proline 0 N--CA 1.491 1.576 0 O-C-N 121.184 -0.948 . . . . 0.0 109.877 -179.329 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 609' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -64.05 3.0 0.85 Allowed 'Trans proline' 0 C--O 1.215 -0.672 0 N-CA-C 108.955 -1.21 . . . . 0.0 108.955 179.18 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 610' ' ' LYS . . . . . 0.498 ' H ' ' C ' ' B' ' 608' ' ' HIS . 34.7 ttmt -69.56 -104.87 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.405 -0.809 . . . . 0.0 109.417 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 611' ' ' TYR . . . . . 0.481 ' O ' ' O ' ' B' ' 610' ' ' LYS . 8.0 t80 60.25 127.33 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.189 -0.944 . . . . 0.0 109.044 -179.706 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 612' ' ' SER . . . . . 0.422 ' OG ' ' O ' ' B' ' 611' ' ' TYR . 34.0 m -172.06 -117.93 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.658 -1.276 . . . . 0.0 109.006 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 613' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -96.43 65.65 2.32 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.21 -0.931 . . . . 0.0 109.158 179.699 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 614' ' ' ILE . . . . . 0.652 HG22 ' N ' ' B' ' 615' ' ' ASP . 79.2 mt -97.04 172.55 1.05 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.786 0 O-C-N 121.388 -0.82 . . . . 0.0 109.441 -179.71 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 615' ' ' ASP . . . . . 0.703 ' O ' HD21 ' B' ' 619' ' ' LEU . 26.5 t70 -121.11 112.87 19.24 Favored 'General case' 0 N--CA 1.494 1.741 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 179.341 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 616' ' ' VAL . . . . . . . . . . . . . 60.3 t -79.36 -16.63 13.21 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.515 0 O-C-N 121.276 -0.89 . . . . 0.0 109.24 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 617' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -74.81 -41.34 60.14 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.285 -0.884 . . . . 0.0 110.82 -179.026 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 618' ' ' GLY . . . . . 0.436 ' O ' ' OE2' ' B' ' 622' ' ' GLU . . . -62.97 -40.52 99.4 Favored Glycine 0 N--CA 1.49 2.267 0 C-N-CA 119.622 -1.275 . . . . 0.0 110.208 -179.296 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 619' ' ' LEU . . . . . 0.703 HD21 ' O ' ' B' ' 615' ' ' ASP . 0.0 OUTLIER -66.8 -24.43 66.18 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 107.123 -1.436 . . . . 0.0 107.123 179.217 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 620' ' ' CYS . . . . . . . . . . . . . 5.6 t -62.57 -54.0 46.3 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.293 -0.879 . . . . 0.0 109.857 179.732 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 47.0 p -85.13 -10.69 56.48 Favored 'General case' 0 N--CA 1.501 2.119 0 O-C-N 120.745 -1.222 . . . . 0.0 111.416 -179.033 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 622' ' ' GLU . . . . . 0.436 ' OE2' ' O ' ' B' ' 618' ' ' GLY . 0.9 OUTLIER -101.79 -34.17 9.53 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 120.814 -1.179 . . . . 0.0 109.253 178.221 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 623' ' ' LEU . . . . . 0.429 ' CB ' ' O ' ' B' ' 619' ' ' LEU . 1.1 tt -89.42 -22.28 22.61 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.75 -1.219 . . . . 0.0 109.723 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 624' ' ' MET . . . . . . . . . . . . . 5.4 ttt -83.83 -21.34 32.09 Favored 'General case' 0 N--CA 1.503 2.198 0 O-C-N 120.89 -1.131 . . . . 0.0 112.509 -178.451 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 625' ' ' ALA . . . . . . . . . . . . . . . -103.48 -9.02 19.67 Favored 'General case' 0 N--CA 1.509 2.505 0 O-C-N 120.718 -1.239 . . . . 0.0 110.03 -179.469 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 626' ' ' LYS . . . . . . . . . . . . . 63.9 mttm -86.71 -6.26 58.89 Favored 'General case' 0 N--CA 1.491 1.606 0 N-CA-C 106.159 -1.793 . . . . 0.0 106.159 176.516 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 627' ' ' ALA . . . . . . . . . . . . . . . -42.06 138.18 1.66 Allowed 'General case' 0 N--CA 1.492 1.674 0 CA-C-N 115.054 -0.975 . . . . 0.0 111.58 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 628' ' ' LYS . . . . . . . . . . . . . 17.9 tptm -111.29 91.9 3.83 Favored 'General case' 0 N--CA 1.496 1.865 0 N-CA-C 107.736 -1.209 . . . . 0.0 107.736 178.236 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 629' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -54.94 117.76 3.7 Favored 'General case' 0 N--CA 1.494 1.732 0 CA-C-O 122.346 1.07 . . . . 0.0 111.236 -178.034 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 630' ' ' SER . . . . . . . . . . . . . 31.1 t -142.96 160.45 40.32 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 107.633 -1.247 . . . . 0.0 107.633 178.323 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 631' ' ' GLU . . . . . 0.482 ' C ' ' H ' ' B' ' 633' ' ' GLY . 42.1 tt0 -63.97 -23.29 67.28 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.3 -1.5 . . . . 0.0 109.031 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 632' ' ' ARG . . . . . 0.581 HH11 ' CG ' ' B' ' 632' ' ' ARG . 3.7 mtt-85 -79.73 34.85 0.28 Allowed 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 107.579 -1.267 . . . . 0.0 107.579 177.872 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 633' ' ' GLY . . . . . 0.482 ' H ' ' C ' ' B' ' 631' ' ' GLU . . . 70.06 -170.49 44.18 Favored Glycine 0 N--CA 1.49 2.253 0 N-CA-C 107.684 -2.166 . . . . 0.0 107.684 -178.331 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 634' ' ' VAL . . . . . . . . . . . . . 78.9 t -78.21 141.88 14.88 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.408 0 O-C-N 120.493 -1.592 . . . . 0.0 109.199 179.37 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 31.4 m -131.21 136.33 57.94 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.233 0 O-C-N 121.146 -0.971 . . . . 0.0 109.255 178.608 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 636' ' ' ILE . . . . . . . . . . . . . 22.1 mm -113.29 144.3 21.22 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.928 0 O-C-N 121.78 -0.575 . . . . 0.0 109.546 -179.237 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 637' ' ' ASN . . . . . 0.5 ' O ' ' N ' ' B' ' 639' ' ' GLU . 9.6 p-10 -88.57 130.1 35.33 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.915 -1.116 . . . . 0.0 108.234 178.513 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -46.76 -13.73 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.56 -0.713 . . . . 0.0 110.775 -178.401 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 639' ' ' GLU . . . . . 0.5 ' N ' ' O ' ' B' ' 637' ' ' ASN . 15.5 tp10 -82.66 -25.13 33.37 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.134 -0.979 . . . . 0.0 110.977 -178.78 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 640' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -84.21 -51.71 6.82 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 120.167 -1.583 . . . . 0.0 108.112 178.475 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 641' ' ' VAL . . . . . 0.613 HG13 ' N ' ' B' ' 642' ' ' GLN . 13.0 p -53.66 -50.02 53.23 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.509 0 O-C-N 120.663 -1.273 . . . . 0.0 107.966 177.464 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 642' ' ' GLN . . . . . 0.613 ' N ' HG13 ' B' ' 641' ' ' VAL . 1.3 tm0? -54.36 -31.64 55.06 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.97 -1.081 . . . . 0.0 109.298 179.647 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 643' ' ' LEU . . . . . 0.456 ' O ' ' CG ' ' B' ' 647' ' ' LYS . 18.4 mt -81.91 -26.99 33.63 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.094 -1.004 . . . . 0.0 109.271 179.241 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 644' ' ' ALA . . . . . . . . . . . . . . . -86.59 -36.37 18.91 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.862 -1.149 . . . . 0.0 109.51 179.201 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 645' ' ' LEU . . . . . 0.54 ' O ' ' N ' ' B' ' 647' ' ' LYS . 43.7 mt -74.28 -68.9 0.48 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.688 -1.257 . . . . 0.0 108.432 178.865 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 646' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -48.19 -9.46 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.178 -0.951 . . . . 0.0 110.236 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 647' ' ' LYS . . . . . 0.549 ' C ' ' H ' ' B' ' 649' ' ' MET . 0.0 OUTLIER -76.78 -81.3 0.09 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.981 -1.074 . . . . 0.0 109.345 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 648' ' ' HIS . . . . . 0.564 ' NE2' ' CD2' ' B' ' 619' ' ' LEU . 1.6 p80 -60.71 25.03 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.105 -0.997 . . . . 0.0 111.8 -178.241 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 649' ' ' MET . . . . . 0.549 ' H ' ' C ' ' B' ' 647' ' ' LYS . 6.8 mmt -93.92 100.5 12.65 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.561 -1.337 . . . . 0.0 109.196 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 650' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 . . . . . 0 N--CA 1.49 1.547 0 CA-C-O 117.955 -1.022 . . . . 0.0 109.504 -179.988 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 279' ' ' ASN . . . . . . . . . . . . . 16.4 m-20 . . . . . 0 N--CA 1.488 1.46 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 280' ' ' LEU . . . . . 0.461 ' C ' ' H ' ' A' ' 282' ' ' SER . 0.1 OUTLIER -127.67 -77.83 0.57 Allowed 'General case' 0 N--CA 1.497 1.916 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 -179.883 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 281' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 57.71 4.54 0.26 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.23 -0.919 . . . . 0.0 109.456 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 282' ' ' SER . . . . . 0.49 ' O ' ' SD ' ' A' ' 284' ' ' MET . 32.2 t -79.74 51.76 1.35 Allowed 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.192 -0.942 . . . . 0.0 109.419 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 283' ' ' ASN . . . . . . . . . . . . . 17.6 p-10 -51.63 113.31 0.94 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.295 -0.878 . . . . 0.0 109.522 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 284' ' ' MET . . . . . 0.588 ' N ' ' SD ' ' A' ' 284' ' ' MET . 2.2 mpt? -79.2 153.62 29.86 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.275 -0.89 . . . . 0.0 109.44 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 285' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -66.9 124.87 24.19 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.285 -0.884 . . . . 0.0 109.55 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 286' ' ' SER . . . . . . . . . . . . . 13.0 t 53.25 -178.97 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.258 -0.901 . . . . 0.0 109.511 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 287' ' ' ASN . . . . . . . . . . . . . 8.5 p-10 -169.47 70.26 0.07 Allowed 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.257 -0.902 . . . . 0.0 109.483 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 288' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -73.39 -29.86 62.89 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.338 -0.851 . . . . 0.0 109.534 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 289' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -65.65 -72.29 0.16 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.227 -0.92 . . . . 0.0 109.597 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 290' ' ' ASN . . . . . 0.472 ' CG ' ' H ' ' A' ' 291' ' ' PHE . 9.2 t-20 -169.85 -167.15 0.63 Allowed 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.247 -0.908 . . . . 0.0 109.305 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 291' ' ' PHE . . . . . 0.472 ' H ' ' CG ' ' A' ' 290' ' ' ASN . 3.7 t80 69.83 83.43 0.15 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.372 -0.83 . . . . 0.0 108.958 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 292' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -85.03 57.57 4.53 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.123 -0.986 . . . . 0.0 109.674 -179.606 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 293' ' ' ASN . . . . . 0.416 ' O ' ' O ' ' A' ' 294' ' ' GLN . 35.2 p30 -66.8 80.54 0.11 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.263 -0.898 . . . . 0.0 109.359 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 294' ' ' GLN . . . . . 0.416 ' O ' ' O ' ' A' ' 293' ' ' ASN . 27.5 mm100 52.02 177.78 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.394 -0.816 . . . . 0.0 109.395 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 295' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -80.34 138.7 36.74 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.19 -0.944 . . . . 0.0 109.312 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 -74.85 -88.78 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.147 -0.971 . . . . 0.0 109.336 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 297' ' ' GLU . . . . . 0.557 ' C ' ' H ' ' A' ' 299' ' ' VAL . 38.4 mt-10 51.38 35.39 13.89 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.248 -0.908 . . . . 0.0 109.641 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 298' ' ' GLN . . . . . 0.413 ' O ' ' O ' ' A' ' 299' ' ' VAL . 31.0 mt-30 63.06 -17.07 0.06 Allowed 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.46 -0.775 . . . . 0.0 110.685 179.752 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 299' ' ' VAL . . . . . 0.557 ' H ' ' C ' ' A' ' 297' ' ' GLU . 3.5 t 60.23 114.18 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.486 1.373 0 O-C-N 120.977 -1.077 . . . . 0.0 109.433 -179.802 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 300' ' ' SER . . . . . 0.556 ' C ' ' N ' ' A' ' 302' ' ' PHE . 8.4 m -179.03 17.52 0.0 OUTLIER 'General case' 0 C--N 1.294 -1.847 0 CA-C-N 115.168 -0.923 . . . . 0.0 109.77 179.042 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 301' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 300' ' ' SER . 42.7 mt-10 -49.18 -20.18 0.56 Allowed 'General case' 0 N--CA 1.492 1.653 0 N-CA-C 106.161 -1.792 . . . . 0.0 106.161 178.143 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 302' ' ' PHE . . . . . 0.556 ' N ' ' C ' ' A' ' 300' ' ' SER . 10.3 t80 -78.42 -65.22 1.01 Allowed 'General case' 0 C--N 1.306 -1.31 0 CA-C-N 114.551 -1.204 . . . . 0.0 109.571 178.254 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 303' ' ' CYS . . . . . . . . . . . . . 4.0 m -58.25 -43.26 87.75 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.043 -1.036 . . . . 0.0 109.075 179.725 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 49.5 m -53.73 -34.06 57.7 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.542 -0.724 . . . . 0.0 110.782 -179.355 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 305' ' ' LYS . . . . . 0.432 ' CB ' ' NZ ' ' A' ' 305' ' ' LYS . 2.3 ttmp? -99.45 -15.21 18.79 Favored 'General case' 0 N--CA 1.504 2.266 0 O-C-N 120.978 -1.077 . . . . 0.0 108.409 178.242 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 306' ' ' MET . . . . . 0.514 ' O ' HG22 ' A' ' 309' ' ' VAL . 4.7 ttt -75.09 -20.83 59.31 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 106.751 -1.574 . . . . 0.0 106.751 176.769 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 307' ' ' ASN . . . . . 0.455 ' O ' ' C ' ' A' ' 308' ' ' GLN . 31.7 m-20 -83.2 -41.67 18.17 Favored 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 105.751 -1.944 . . . . 0.0 105.751 178.129 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 308' ' ' GLN . . . . . 0.525 ' O ' ' N ' ' A' ' 310' ' ' CYS . 42.2 tt0 -36.36 -38.86 0.16 Allowed 'General case' 0 N--CA 1.506 2.36 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 178.512 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 309' ' ' VAL . . . . . 0.514 HG22 ' O ' ' A' ' 306' ' ' MET . 5.6 m -44.8 -17.55 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.501 2.083 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 178.446 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 310' ' ' CYS . . . . . 0.525 ' N ' ' O ' ' A' ' 308' ' ' GLN . 4.9 m -85.92 30.12 0.68 Allowed 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.498 -0.751 . . . . 0.0 108.974 179.174 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 311' ' ' GLY . . . . . . . . . . . . . . . -87.28 116.55 4.51 Favored Glycine 0 N--CA 1.494 2.536 0 N-CA-C 109.393 -1.483 . . . . 0.0 109.393 179.763 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 312' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -98.43 94.23 6.61 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.278 -1.131 . . . . 0.0 109.46 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 313' ' ' ARG . . . . . 0.531 ' CG ' HH11 ' A' ' 313' ' ' ARG . 5.0 mtt-85 . . . . . 0 N--CA 1.492 1.641 0 CA-C-O 117.899 -1.048 . . . . 0.0 109.34 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 565' ' ' ASN . . . . . . . . . . . . . 51.8 t30 . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 566' ' ' GLY . . . . . 0.464 ' C ' ' H ' ' B' ' 568' ' ' SER . . . 173.08 -52.49 0.16 Allowed Glycine 0 N--CA 1.491 2.327 0 N-CA-C 109.479 -1.448 . . . . 0.0 109.479 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 567' ' ' SER . . . . . . . . . . . . . 15.4 p 55.08 6.86 0.15 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.234 -1.157 . . . . 0.0 109.501 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 568' ' ' SER . . . . . 0.464 ' H ' ' C ' ' B' ' 566' ' ' GLY . 71.9 m -79.6 -89.32 0.06 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.208 -0.932 . . . . 0.0 109.422 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 569' ' ' LEU . . . . . 0.539 HD23 ' N ' ' B' ' 570' ' ' GLN . 1.6 tt -168.34 115.51 0.68 Allowed 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.38 -0.825 . . . . 0.0 109.143 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 570' ' ' GLN . . . . . 0.539 ' N ' HD23 ' B' ' 569' ' ' LEU . 7.3 pt20 -156.08 68.8 0.63 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.287 -0.883 . . . . 0.0 109.385 -179.848 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 571' ' ' ASN . . . . . . . . . . . . . 68.5 m-80 -157.28 105.51 2.11 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.312 -0.868 . . . . 0.0 109.474 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -168.42 3.07 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.179 -0.951 . . . . 0.0 109.553 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 573' ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -63.1 -152.46 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.268 -0.895 . . . . 0.0 109.432 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 574' ' ' LYS . . . . . . . . . . . . . 56.6 mttm 53.83 -137.7 1.19 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.327 -0.858 . . . . 0.0 109.546 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 575' ' ' ILE . . . . . . . . . . . . . 4.1 pt -149.39 89.04 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 121.285 -0.884 . . . . 0.0 109.211 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 576' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -65.36 162.97 16.51 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.286 -0.883 . . . . 0.0 109.411 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 577' ' ' ASN . . . . . . . . . . . . . 73.4 m-20 -158.81 44.98 0.28 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.216 -0.927 . . . . 0.0 109.459 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 578' ' ' GLY . . . . . . . . . . . . . . . 175.35 102.48 0.16 Allowed Glycine 0 N--CA 1.491 2.348 0 N-CA-C 109.504 -1.438 . . . . 0.0 109.504 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 579' ' ' ASN . . . . . 0.442 ' O ' ' N ' ' B' ' 581' ' ' ASN . 14.9 m120 -157.42 135.1 10.66 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.218 -1.166 . . . . 0.0 109.424 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 580' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -70.33 57.85 0.17 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.291 -0.881 . . . . 0.0 109.478 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 581' ' ' ASN . . . . . 0.442 ' N ' ' O ' ' B' ' 579' ' ' ASN . 10.1 m120 52.77 -148.79 0.41 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.23 -0.919 . . . . 0.0 109.418 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 582' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -59.15 114.9 2.84 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.112 -0.992 . . . . 0.0 109.523 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 583' ' ' ASN . . . . . . . . . . . . . 37.2 t-20 -73.83 105.17 4.99 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.225 -0.922 . . . . 0.0 109.409 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 584' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -64.33 145.33 56.21 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.323 -0.861 . . . . 0.0 109.466 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 585' ' ' ASN . . . . . . . . . . . . . 39.2 t30 -63.0 -106.06 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.233 -0.917 . . . . 0.0 109.495 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 586' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -171.36 70.89 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.227 -0.921 . . . . 0.0 109.671 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 587' ' ' VAL . . . . . . . . . . . . . 2.8 t -145.39 9.99 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.852 0 O-C-N 121.237 -0.914 . . . . 0.0 108.953 179.743 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 588' ' ' VAL . . . . . 0.678 ' H ' ' CD ' ' B' ' 589' ' ' PRO . 2.2 t -112.9 -35.41 0.11 Allowed Pre-proline 0 N--CA 1.501 2.104 0 CA-C-O 118.927 -0.558 . . . . 0.0 111.623 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 589' ' ' PRO . . . . . 0.678 ' CD ' ' H ' ' B' ' 588' ' ' VAL . 2.1 Cg_endo -68.56 123.17 10.19 Favored 'Trans proline' 0 C--O 1.215 -0.666 0 C-N-CA 120.618 0.879 . . . . 0.0 109.914 -178.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 590' ' ' SER . . . . . . . . . . . . . 94.3 p -80.57 -155.07 0.11 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.27 -0.894 . . . . 0.0 109.523 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 591' ' ' LYS . . . . . 0.407 ' H ' ' HE2' ' B' ' 591' ' ' LYS . 1.5 mppt? -50.74 156.45 0.95 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.288 -0.883 . . . . 0.0 108.774 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -82.63 22.7 0.86 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.148 -0.97 . . . . 0.0 109.756 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 593' ' ' GLY . . . . . . . . . . . . . . . -99.23 -153.94 28.19 Favored Glycine 0 N--CA 1.494 2.541 0 N-CA-C 108.7 -1.76 . . . . 0.0 108.7 179.437 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 594' ' ' SER . . . . . . . . . . . . . 57.9 m -123.98 162.54 23.21 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.452 -1.028 . . . . 0.0 109.802 179.488 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 595' ' ' LEU . . . . . . . . . . . . . 23.9 mt -82.71 118.46 23.37 Favored 'General case' 0 C--N 1.298 -1.634 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 179.16 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 596' ' ' LEU . . . . . 0.488 ' O ' ' N ' ' B' ' 636' ' ' ILE . 2.6 mt -127.22 147.87 50.21 Favored 'General case' 0 N--CA 1.504 2.234 0 O-C-N 121.377 -0.827 . . . . 0.0 108.802 -179.36 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 597' ' ' ARG . . . . . 0.471 ' H ' ' HG3' ' B' ' 600' ' ' GLU . 50.7 ttt180 -111.0 -126.17 0.27 Allowed 'General case' 0 N--CA 1.504 2.228 0 O-C-N 121.709 -0.619 . . . . 0.0 111.741 -177.364 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 598' ' ' CYS . . . . . 0.588 ' SG ' ' N ' ' B' ' 599' ' ' SER . 8.6 t -88.21 -97.77 0.09 Allowed 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.379 -0.826 . . . . 0.0 111.19 -178.187 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 599' ' ' SER . . . . . 0.588 ' N ' ' SG ' ' B' ' 598' ' ' CYS . 14.3 t -43.96 -25.88 0.24 Allowed 'General case' 0 N--CA 1.497 1.918 0 CA-C-O 122.197 0.999 . . . . 0.0 109.346 -178.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 600' ' ' GLU . . . . . 0.471 ' HG3' ' H ' ' B' ' 597' ' ' ARG . 20.0 mm-40 -46.61 -40.34 12.78 Favored 'General case' 0 C--N 1.3 -1.566 0 CA-C-O 122.31 1.052 . . . . 0.0 109.085 178.886 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 601' ' ' ILE . . . . . 0.533 ' O ' ' N ' ' B' ' 604' ' ' ARG . 1.3 mp -71.35 -33.09 49.0 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 -178.581 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 602' ' ' TRP . . . . . 0.413 ' C ' ' O ' ' B' ' 601' ' ' ILE . 64.7 t-105 -45.24 -37.65 4.82 Favored 'General case' 0 N--CA 1.494 1.751 0 N-CA-C 107.599 -1.26 . . . . 0.0 107.599 179.707 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 603' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -69.4 -42.98 74.39 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 177.536 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 604' ' ' ARG . . . . . 0.533 ' N ' ' O ' ' B' ' 601' ' ' ILE . 9.6 mmt-85 -56.96 -30.63 64.23 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.312 -0.868 . . . . 0.0 109.396 179.085 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 605' ' ' ILE . . . . . . . . . . . . . 85.3 mt -83.32 -46.91 18.5 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.0 0 O-C-N 121.423 -0.798 . . . . 0.0 110.902 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 606' ' ' THR . . . . . . . . . . . . . 21.4 p -49.84 -39.98 40.76 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.878 -1.139 . . . . 0.0 110.274 -179.013 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 607' ' ' THR . . . . . . . . . . . . . 29.2 p -39.62 -63.18 0.6 Allowed 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.4 -0.813 . . . . 0.0 111.413 -178.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 608' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -53.08 139.6 44.19 Favored Pre-proline 0 N--CA 1.489 1.49 0 O-C-N 120.946 -1.097 . . . . 0.0 109.244 -178.657 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 609' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -58.65 -12.94 15.74 Favored 'Trans proline' 0 C--O 1.215 -0.673 0 N-CA-C 108.456 -1.401 . . . . 0.0 108.456 179.032 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 610' ' ' LYS . . . . . 0.564 ' C ' ' H ' ' B' ' 612' ' ' SER . 17.3 tptp -172.15 136.15 0.83 Allowed 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 108.971 -0.752 . . . . 0.0 108.971 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 611' ' ' TYR . . . . . 0.571 ' CD1' ' N ' ' B' ' 611' ' ' TYR . 0.3 OUTLIER -53.66 4.19 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.32 -0.863 . . . . 0.0 110.829 -179.788 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 612' ' ' SER . . . . . 0.564 ' H ' ' C ' ' B' ' 610' ' ' LYS . 38.6 p 46.83 51.28 12.69 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.55 -1.344 . . . . 0.0 110.553 179.266 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 613' ' ' ASP . . . . . . . . . . . . . 36.4 t70 47.34 54.09 10.01 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.196 -0.94 . . . . 0.0 111.0 178.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 614' ' ' ILE . . . . . 0.541 ' CG2' ' N ' ' B' ' 615' ' ' ASP . 4.0 mt -82.48 174.91 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.773 0 N-CA-C 107.709 -1.219 . . . . 0.0 107.709 178.781 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 615' ' ' ASP . . . . . 0.541 ' N ' ' CG2' ' B' ' 614' ' ' ILE . 1.1 m-20 -107.49 109.19 20.82 Favored 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 107.621 -1.251 . . . . 0.0 107.621 178.748 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 616' ' ' VAL . . . . . 0.436 HG22 ' H ' ' B' ' 616' ' ' VAL . 8.4 m -74.55 -21.12 17.16 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.63 0 O-C-N 121.247 -0.908 . . . . 0.0 108.733 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 617' ' ' ASP . . . . . . . . . . . . . 57.7 m-20 -78.27 -43.6 27.69 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.435 -0.791 . . . . 0.0 110.327 -179.293 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 618' ' ' GLY . . . . . . . . . . . . . . . -69.47 -55.5 9.96 Favored Glycine 0 N--CA 1.488 2.16 0 N-CA-C 109.298 -1.521 . . . . 0.0 109.298 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 619' ' ' LEU . . . . . 0.69 ' C ' HD12 ' B' ' 619' ' ' LEU . 1.0 OUTLIER -57.2 -19.79 23.01 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.349 -1.089 . . . . 0.0 109.201 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 620' ' ' CYS . . . . . . . . . . . . . 7.0 t -75.09 -43.27 53.97 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.812 -1.18 . . . . 0.0 109.875 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 11.1 m -79.39 -0.33 32.38 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 120.879 -1.138 . . . . 0.0 109.126 179.736 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 622' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 -92.2 -44.11 8.95 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.356 -0.84 . . . . 0.0 109.525 177.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 623' ' ' LEU . . . . . . . . . . . . . 8.1 mp -85.74 -24.09 27.06 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 120.907 -1.121 . . . . 0.0 110.132 -179.342 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 624' ' ' MET . . . . . 0.44 ' O ' ' SD ' ' B' ' 624' ' ' MET . 0.3 OUTLIER -62.34 -34.07 75.94 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 120.994 -1.066 . . . . 0.0 111.543 -178.282 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 625' ' ' ALA . . . . . 0.435 ' C ' ' N ' ' B' ' 627' ' ' ALA . . . -105.29 -33.31 8.25 Favored 'General case' 0 N--CA 1.505 2.314 0 O-C-N 120.785 -1.197 . . . . 0.0 109.608 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 626' ' ' LYS . . . . . . . . . . . . . 64.9 mttm -61.72 -13.18 20.81 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 106.473 -1.677 . . . . 0.0 106.473 177.328 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 627' ' ' ALA . . . . . 0.435 ' N ' ' C ' ' B' ' 625' ' ' ALA . . . -47.08 137.61 7.53 Favored 'General case' 0 N--CA 1.492 1.663 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.547 -179.723 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 628' ' ' LYS . . . . . . . . . . . . . 59.8 tttm -107.63 91.98 3.88 Favored 'General case' 0 N--CA 1.496 1.86 0 N-CA-C 107.399 -1.334 . . . . 0.0 107.399 178.098 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 629' ' ' CYS . . . . . . . . . . . . . 44.1 t -58.8 137.01 57.93 Favored 'General case' 0 N--CA 1.492 1.652 0 CA-C-O 122.385 1.088 . . . . 0.0 112.402 -177.62 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 630' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -141.52 162.36 35.66 Favored 'General case' 0 N--CA 1.495 1.784 0 N-CA-C 107.29 -1.374 . . . . 0.0 107.29 178.294 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 631' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -69.79 -36.28 75.58 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.296 -1.502 . . . . 0.0 110.386 -178.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 632' ' ' ARG . . . . . 0.544 HH11 ' CG ' ' B' ' 632' ' ' ARG . 0.1 OUTLIER -71.28 -17.3 62.48 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.828 -1.17 . . . . 0.0 108.721 179.794 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 633' ' ' GLY . . . . . . . . . . . . . . . 143.41 179.18 19.83 Favored Glycine 0 N--CA 1.495 2.575 0 N-CA-C 108.915 -1.674 . . . . 0.0 108.915 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 634' ' ' VAL . . . . . 0.495 HG12 ' N ' ' B' ' 635' ' ' VAL . 75.9 t -78.91 162.44 3.95 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.383 0 O-C-N 120.771 -1.429 . . . . 0.0 109.896 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 635' ' ' VAL . . . . . 0.495 ' N ' HG12 ' B' ' 634' ' ' VAL . 22.7 m -152.24 140.7 14.35 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.172 -0.955 . . . . 0.0 108.645 178.153 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 636' ' ' ILE . . . . . 0.488 ' N ' ' O ' ' B' ' 596' ' ' LEU . 68.6 mt -131.43 141.17 46.54 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.973 0 O-C-N 121.482 -0.761 . . . . 0.0 109.355 -179.615 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 637' ' ' ASN . . . . . 0.53 ' O ' ' N ' ' B' ' 639' ' ' GLU . 40.5 m-80 -81.7 133.21 35.33 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.175 -0.953 . . . . 0.0 109.307 179.707 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -46.19 -11.66 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.899 -0.501 . . . . 0.0 110.595 -179.632 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 639' ' ' GLU . . . . . 0.53 ' N ' ' O ' ' B' ' 637' ' ' ASN . 68.6 mt-10 -82.45 -21.77 35.51 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.879 -1.138 . . . . 0.0 110.705 -179.489 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 640' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -81.26 -56.94 3.73 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 120.16 -1.588 . . . . 0.0 107.683 177.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 641' ' ' VAL . . . . . 0.625 HG13 ' N ' ' B' ' 642' ' ' GLN . 7.6 p -51.17 -53.37 15.11 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.533 0 O-C-N 121.103 -0.998 . . . . 0.0 108.519 177.47 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 642' ' ' GLN . . . . . 0.625 ' N ' HG13 ' B' ' 641' ' ' VAL . 43.0 tp60 -47.84 -34.97 9.5 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.907 -1.121 . . . . 0.0 109.224 179.74 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 643' ' ' LEU . . . . . . . . . . . . . 47.3 mt -82.46 -19.7 38.37 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.089 -1.007 . . . . 0.0 108.969 178.354 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 644' ' ' ALA . . . . . 0.487 ' N ' ' O ' ' B' ' 641' ' ' VAL . . . -87.12 -33.06 19.57 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 120.814 -1.179 . . . . 0.0 109.241 178.488 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 645' ' ' LEU . . . . . . . . . . . . . 84.9 mt -87.3 -23.76 24.54 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.997 -1.064 . . . . 0.0 109.804 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 646' ' ' ASN . . . . . . . . . . . . . 54.1 t30 -91.98 -17.5 25.03 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.024 -1.048 . . . . 0.0 110.421 -179.415 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 647' ' ' LYS . . . . . . . . . . . . . 3.6 ttmp? -93.38 -13.1 28.47 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 120.966 -1.084 . . . . 0.0 109.404 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 648' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -108.09 17.99 21.68 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.195 -0.941 . . . . 0.0 109.16 179.37 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 649' ' ' MET . . . . . 0.486 ' SD ' ' OG ' ' B' ' 612' ' ' SER . 42.8 tpp -96.52 100.05 11.66 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.422 -0.798 . . . . 0.0 109.342 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 650' ' ' ASN . . . . . . . . . . . . . 53.1 t30 . . . . . 0 N--CA 1.491 1.62 0 CA-C-O 117.978 -1.01 . . . . 0.0 109.381 179.934 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 279' ' ' ASN . . . . . 0.524 ' N ' HD21 ' A' ' 279' ' ' ASN . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 280' ' ' LEU . . . . . 0.586 HD12 ' N ' ' A' ' 280' ' ' LEU . 8.1 mp -67.2 85.79 0.15 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.276 -0.89 . . . . 0.0 109.285 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 281' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 52.83 28.4 6.4 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.199 -0.938 . . . . 0.0 109.521 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 282' ' ' SER . . . . . . . . . . . . . 56.3 m -71.22 85.81 0.78 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.269 -0.895 . . . . 0.0 109.442 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 283' ' ' ASN . . . . . . . . . . . . . 39.9 m-80 -68.45 94.23 0.54 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.173 -0.954 . . . . 0.0 109.425 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 284' ' ' MET . . . . . . . . . . . . . 45.4 mtt -77.14 41.84 0.31 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.267 -0.896 . . . . 0.0 109.485 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 285' ' ' PHE . . . . . 0.41 ' CD2' ' O ' ' A' ' 286' ' ' SER . 43.4 p90 -169.84 -172.56 1.4 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.299 -0.876 . . . . 0.0 109.41 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 286' ' ' SER . . . . . 0.41 ' O ' ' CD2' ' A' ' 285' ' ' PHE . 41.5 t -55.91 127.64 31.31 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.236 -0.915 . . . . 0.0 109.426 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 287' ' ' ASN . . . . . . . . . . . . . 13.3 p30 -64.16 153.35 38.08 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.191 -0.943 . . . . 0.0 109.35 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 288' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -68.2 172.8 5.34 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.221 -0.924 . . . . 0.0 109.466 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 289' ' ' PHE . . . . . 0.5 ' CD2' ' O ' ' A' ' 289' ' ' PHE . 53.7 t80 -167.93 0.42 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.256 -0.903 . . . . 0.0 109.462 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 290' ' ' ASN . . . . . 0.431 ' N ' ' OD1' ' A' ' 290' ' ' ASN . 1.7 m120 55.07 171.57 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.238 -0.914 . . . . 0.0 109.424 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 291' ' ' PHE . . . . . 0.516 ' CD2' ' O ' ' A' ' 291' ' ' PHE . 47.9 t80 50.06 18.2 0.36 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.248 -0.907 . . . . 0.0 109.42 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 292' ' ' GLU . . . . . . . . . . . . . 38.0 mm-40 -139.85 -39.22 0.46 Allowed 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.22 -0.925 . . . . 0.0 109.053 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 293' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 50.54 33.82 8.55 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.265 -0.897 . . . . 0.0 109.484 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 294' ' ' GLN . . . . . . . . . . . . . 37.2 tt0 -66.0 163.85 16.42 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.298 -0.876 . . . . 0.0 109.282 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 295' ' ' PHE . . . . . 0.526 ' O ' ' CD2' ' A' ' 295' ' ' PHE . 31.9 p90 -160.86 109.32 1.59 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.139 -0.976 . . . . 0.0 109.546 179.799 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 296' ' ' ASP . . . . . 0.42 ' O ' ' O ' ' A' ' 297' ' ' GLU . 1.7 m-20 53.67 95.04 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.316 -0.865 . . . . 0.0 109.557 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 297' ' ' GLU . . . . . 0.42 ' O ' ' O ' ' A' ' 296' ' ' ASP . 17.9 pt-20 -53.53 -174.98 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.184 -0.948 . . . . 0.0 109.297 179.808 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 298' ' ' GLN . . . . . 0.427 ' O ' ' O ' ' A' ' 299' ' ' VAL . 3.7 pt20 -172.28 -10.99 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.074 -1.016 . . . . 0.0 109.778 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 299' ' ' VAL . . . . . 0.427 ' O ' ' O ' ' A' ' 298' ' ' GLN . 2.1 p 36.6 96.16 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.5 2.072 0 CA-C-O 122.304 1.05 . . . . 0.0 110.621 -179.607 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 300' ' ' SER . . . . . 0.552 ' C ' ' N ' ' A' ' 302' ' ' PHE . 80.3 p -179.19 26.72 0.0 OUTLIER 'General case' 0 C--N 1.299 -1.611 0 CA-C-N 114.764 -1.107 . . . . 0.0 109.914 178.454 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 301' ' ' GLU . . . . . 0.525 ' H ' ' CD ' ' A' ' 301' ' ' GLU . 17.8 mp0 -52.49 -16.67 0.96 Allowed 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 105.835 -1.913 . . . . 0.0 105.835 177.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 302' ' ' PHE . . . . . 0.552 ' N ' ' C ' ' A' ' 300' ' ' SER . 0.1 OUTLIER -76.99 -66.6 0.8 Allowed 'General case' 0 C--N 1.31 -1.152 0 CA-C-N 114.861 -1.063 . . . . 0.0 108.994 178.379 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 303' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -61.0 -29.72 69.87 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.08 -1.012 . . . . 0.0 108.687 179.625 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 6.3 t -60.01 -37.9 81.07 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.639 -0.663 . . . . 0.0 111.39 -178.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . 53.8 mttp -103.29 -19.91 14.3 Favored 'General case' 0 N--CA 1.509 2.508 0 O-C-N 120.966 -1.084 . . . . 0.0 109.729 179.523 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 306' ' ' MET . . . . . 0.401 ' SD ' ' CE1' ' A' ' 302' ' ' PHE . 2.1 mtt -70.69 -23.81 62.55 Favored 'General case' 0 C--N 1.297 -1.716 0 N-CA-C 106.958 -1.497 . . . . 0.0 106.958 177.367 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 307' ' ' ASN . . . . . 0.451 ' O ' ' C ' ' A' ' 308' ' ' GLN . 67.4 m-20 -88.48 -40.01 13.78 Favored 'General case' 0 N--CA 1.495 1.788 0 N-CA-C 106.797 -1.557 . . . . 0.0 106.797 178.84 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 308' ' ' GLN . . . . . 0.551 ' O ' ' N ' ' A' ' 310' ' ' CYS . 35.2 tt0 -34.52 -36.7 0.05 OUTLIER 'General case' 0 N--CA 1.508 2.43 0 CA-C-O 121.695 0.76 . . . . 0.0 109.302 178.577 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 309' ' ' VAL . . . . . 0.43 ' N ' ' O ' ' A' ' 307' ' ' ASN . 30.5 t -46.66 -12.87 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.813 0 C-N-CA 120.067 -0.653 . . . . 0.0 109.56 179.141 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 310' ' ' CYS . . . . . 0.551 ' N ' ' O ' ' A' ' 308' ' ' GLN . 0.0 OUTLIER -88.16 16.12 6.59 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.428 -0.795 . . . . 0.0 108.956 179.348 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 311' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 308' ' ' GLN . . . -55.35 131.29 48.71 Favored Glycine 0 N--CA 1.492 2.414 0 N-CA-C 109.851 -1.299 . . . . 0.0 109.851 -179.666 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 312' ' ' THR . . . . . . . . . . . . . 63.0 m -129.9 124.62 33.59 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.576 -0.956 . . . . 0.0 109.31 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 313' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 . . . . . 0 N--CA 1.49 1.556 0 CA-C-O 118.013 -0.994 . . . . 0.0 109.486 179.934 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 565' ' ' ASN . . . . . 0.48 ' O ' ' N ' ' B' ' 567' ' ' SER . 29.3 m-80 . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 566' ' ' GLY . . . . . . . . . . . . . . . 66.81 -68.94 0.18 Allowed Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.402 -1.479 . . . . 0.0 109.402 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 567' ' ' SER . . . . . 0.48 ' N ' ' O ' ' B' ' 565' ' ' ASN . 40.6 t -168.58 172.84 7.82 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.299 -1.118 . . . . 0.0 109.597 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 568' ' ' SER . . . . . . . . . . . . . 54.6 m -67.6 91.29 0.28 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.341 -0.849 . . . . 0.0 109.347 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 569' ' ' LEU . . . . . . . . . . . . . 17.0 mt -66.35 -55.82 14.07 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.218 -0.926 . . . . 0.0 109.364 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 570' ' ' GLN . . . . . . . . . . . . . 25.9 tp60 -168.58 40.81 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.355 -0.841 . . . . 0.0 109.203 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 571' ' ' ASN . . . . . . . . . . . . . 34.5 m120 -75.98 -57.39 3.9 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.382 -0.824 . . . . 0.0 109.183 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -65.07 -165.32 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.435 -0.791 . . . . 0.0 109.282 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 573' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -172.18 -89.62 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.197 -0.94 . . . . 0.0 109.655 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 574' ' ' LYS . . . . . 0.531 ' O ' ' N ' ' B' ' 576' ' ' ASN . 48.8 mttp -152.24 99.12 2.48 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.365 -0.834 . . . . 0.0 109.349 -179.827 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 575' ' ' ILE . . . . . . . . . . . . . 65.1 mt 55.34 -82.87 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 121.392 -0.818 . . . . 0.0 109.82 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 576' ' ' ASN . . . . . 0.531 ' N ' ' O ' ' B' ' 574' ' ' LYS . 40.3 p30 -150.0 69.71 1.02 Allowed 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.104 -0.997 . . . . 0.0 109.261 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 577' ' ' ASN . . . . . 0.429 ' O ' ' O ' ' B' ' 576' ' ' ASN . 9.2 m-20 55.56 168.84 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.25 -0.906 . . . . 0.0 109.505 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 578' ' ' GLY . . . . . 0.458 ' C ' ' H ' ' B' ' 580' ' ' ASP . . . 161.77 -5.76 0.09 OUTLIER Glycine 0 N--CA 1.49 2.245 0 N-CA-C 109.541 -1.424 . . . . 0.0 109.541 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 579' ' ' ASN . . . . . . . . . . . . . 38.5 p-10 -75.47 30.01 0.1 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.236 -1.155 . . . . 0.0 109.484 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 580' ' ' ASP . . . . . 0.458 ' H ' ' C ' ' B' ' 578' ' ' GLY . 23.9 t0 -63.82 -36.44 83.9 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.22 -0.925 . . . . 0.0 109.51 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 581' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -64.51 -46.13 84.28 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.233 -0.917 . . . . 0.0 109.482 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 582' ' ' ASP . . . . . 0.437 ' OD1' ' N ' ' B' ' 583' ' ' ASN . 8.9 t70 -63.91 153.25 37.53 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.252 -0.905 . . . . 0.0 109.47 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 583' ' ' ASN . . . . . 0.48 ' O ' ' N ' ' B' ' 585' ' ' ASN . 22.7 p30 -170.27 -171.99 1.21 Allowed 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.255 -0.903 . . . . 0.0 109.476 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 584' ' ' ASP . . . . . 0.411 ' N ' ' OD1' ' B' ' 584' ' ' ASP . 37.7 p-10 -69.44 54.57 0.11 Allowed 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.214 -0.928 . . . . 0.0 109.463 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 585' ' ' ASN . . . . . 0.48 ' N ' ' O ' ' B' ' 583' ' ' ASN . 13.9 m120 53.29 -137.44 1.23 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.273 -0.892 . . . . 0.0 109.495 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 586' ' ' ASP . . . . . 0.434 ' O ' ' O ' ' B' ' 585' ' ' ASN . 17.2 t70 60.86 142.82 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.414 -0.804 . . . . 0.0 109.639 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 587' ' ' VAL . . . . . . . . . . . . . 4.0 t -148.24 149.48 15.17 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.293 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 179.762 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 588' ' ' VAL . . . . . . . . . . . . . 4.2 t 59.13 68.93 1.46 Allowed Pre-proline 0 C--N 1.296 -1.743 0 O-C-N 121.581 -0.7 . . . . 0.0 109.468 -179.606 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 589' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -60.67 -179.83 0.3 Allowed 'Trans proline' 0 C--N 1.318 -1.039 0 C-N-CA 121.446 1.431 . . . . 0.0 109.769 -179.728 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 590' ' ' SER . . . . . . . . . . . . . 10.0 p 57.25 -157.76 0.28 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.215 -0.928 . . . . 0.0 109.4 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 591' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -170.83 142.06 1.87 Allowed 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.315 -0.866 . . . . 0.0 109.517 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -148.52 142.19 25.54 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.244 -0.91 . . . . 0.0 109.37 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 593' ' ' GLY . . . . . . . . . . . . . . . -171.39 90.07 0.09 OUTLIER Glycine 0 N--CA 1.49 2.245 0 N-CA-C 109.333 -1.507 . . . . 0.0 109.333 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 594' ' ' SER . . . . . . . . . . . . . 66.8 m -78.79 165.49 23.52 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.228 -1.16 . . . . 0.0 110.061 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 595' ' ' LEU . . . . . 0.569 ' N ' HD12 ' B' ' 595' ' ' LEU . 8.0 mp -92.57 118.77 31.35 Favored 'General case' 0 C--N 1.3 -1.57 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 596' ' ' LEU . . . . . 0.496 ' H ' HD12 ' B' ' 596' ' ' LEU . 0.0 OUTLIER -127.32 158.03 38.32 Favored 'General case' 0 N--CA 1.502 2.152 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 179.893 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 597' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -101.24 -142.76 0.34 Allowed 'General case' 0 N--CA 1.501 2.086 0 O-C-N 121.177 -0.952 . . . . 0.0 111.353 -178.401 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 598' ' ' CYS . . . . . 0.551 ' O ' ' N ' ' B' ' 600' ' ' GLU . 7.1 p -74.36 -103.52 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.459 -0.775 . . . . 0.0 111.421 -178.046 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 599' ' ' SER . . . . . 0.498 ' O ' ' N ' ' B' ' 602' ' ' TRP . 26.1 t -44.59 -16.95 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.919 0 CA-C-O 122.041 0.924 . . . . 0.0 109.451 -179.251 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 600' ' ' GLU . . . . . 0.551 ' N ' ' O ' ' B' ' 598' ' ' CYS . 8.3 tp10 -43.85 -42.13 5.51 Favored 'General case' 0 C--N 1.302 -1.467 0 CA-C-O 122.573 1.177 . . . . 0.0 108.953 179.095 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 601' ' ' ILE . . . . . 0.536 ' O ' ' N ' ' B' ' 604' ' ' ARG . 1.3 mp -69.52 -33.06 55.31 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.086 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 -178.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 602' ' ' TRP . . . . . 0.498 ' N ' ' O ' ' B' ' 599' ' ' SER . 62.0 t-105 -44.94 -37.6 4.09 Favored 'General case' 0 N--CA 1.494 1.754 0 N-CA-C 107.817 -1.179 . . . . 0.0 107.817 179.725 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 603' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -69.17 -43.81 73.5 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 107.534 -1.284 . . . . 0.0 107.534 177.543 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 604' ' ' ARG . . . . . 0.569 ' CG ' HH11 ' B' ' 604' ' ' ARG . 0.0 OUTLIER -56.07 -42.74 77.15 Favored 'General case' 0 N--CA 1.497 1.924 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 178.683 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 605' ' ' ILE . . . . . . . . . . . . . 54.8 mt -72.23 -46.54 57.36 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.796 0 O-C-N 121.701 -0.625 . . . . 0.0 109.947 179.181 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 606' ' ' THR . . . . . 0.516 ' C ' ' H ' ' B' ' 608' ' ' HIS . 18.0 m -60.48 -50.21 74.49 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 120.939 -1.1 . . . . 0.0 109.85 -179.418 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 607' ' ' THR . . . . . . . . . . . . . 62.9 p -60.73 11.07 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.987 -1.071 . . . . 0.0 111.159 -179.147 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 608' ' ' HIS . . . . . 0.516 ' H ' ' C ' ' B' ' 606' ' ' THR . 1.9 m-70 -68.42 151.46 97.21 Favored Pre-proline 0 N--CA 1.49 1.558 0 O-C-N 120.634 -1.291 . . . . 0.0 107.558 179.044 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 609' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -58.44 -33.52 97.98 Favored 'Trans proline' 0 C--N 1.32 -0.967 0 N-CA-C 108.893 -1.233 . . . . 0.0 108.893 -179.573 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 610' ' ' LYS . . . . . 0.431 ' NZ ' ' CB ' ' B' ' 610' ' ' LYS . 2.8 ttmp? -172.57 132.82 0.59 Allowed 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 611' ' ' TYR . . . . . 0.431 ' O ' ' O ' ' B' ' 610' ' ' LYS . 0.2 OUTLIER -55.56 -169.48 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.054 -1.029 . . . . 0.0 108.785 -179.745 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 612' ' ' SER . . . . . . . . . . . . . 4.6 t -178.74 -81.41 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.195 -0.941 . . . . 0.0 109.58 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 613' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -172.43 78.3 0.05 OUTLIER 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.178 -0.951 . . . . 0.0 109.914 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 614' ' ' ILE . . . . . 0.735 HG22 ' H ' ' B' ' 615' ' ' ASP . 68.4 mt -97.26 -179.78 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.911 0 O-C-N 121.307 -0.871 . . . . 0.0 109.225 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 615' ' ' ASP . . . . . 0.735 ' H ' HG22 ' B' ' 614' ' ' ILE . 75.9 m-20 -118.91 106.44 12.48 Favored 'General case' 0 N--CA 1.495 1.798 0 N-CA-C 108.153 -1.055 . . . . 0.0 108.153 179.327 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 616' ' ' VAL . . . . . . . . . . . . . 17.5 t -80.27 -16.77 12.72 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.623 0 O-C-N 121.426 -0.796 . . . . 0.0 109.169 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 617' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -72.74 -46.65 52.42 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.323 -0.861 . . . . 0.0 110.672 -178.839 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 618' ' ' GLY . . . . . . . . . . . . . . . -69.35 -41.99 76.16 Favored Glycine 0 N--CA 1.492 2.379 0 N-CA-C 109.568 -1.413 . . . . 0.0 109.568 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 619' ' ' LEU . . . . . 0.716 HD22 HD21 ' B' ' 645' ' ' LEU . 20.5 tp -61.95 -22.57 65.74 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.283 -1.128 . . . . 0.0 108.622 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 620' ' ' CYS . . . . . . . . . . . . . 19.1 t -73.37 -48.82 31.02 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.124 -0.985 . . . . 0.0 110.898 -179.47 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 24.9 m -80.78 0.13 36.14 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 120.83 -1.169 . . . . 0.0 109.356 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 622' ' ' GLU . . . . . 0.482 ' OE2' ' NZ ' ' B' ' 626' ' ' LYS . 5.7 tp10 -98.24 -48.81 4.94 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.549 -0.719 . . . . 0.0 110.047 178.88 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 623' ' ' LEU . . . . . 0.576 HD11 HD11 ' B' ' 619' ' ' LEU . 14.4 mt -85.73 -19.26 31.08 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 120.312 -1.492 . . . . 0.0 110.119 -179.74 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 624' ' ' MET . . . . . . . . . . . . . 28.3 ttt -73.33 -30.26 63.23 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.128 -0.983 . . . . 0.0 111.679 -178.308 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 625' ' ' ALA . . . . . . . . . . . . . . . -103.94 -5.86 21.84 Favored 'General case' 0 N--CA 1.506 2.339 0 O-C-N 120.8 -1.188 . . . . 0.0 109.752 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 626' ' ' LYS . . . . . 0.482 ' NZ ' ' OE2' ' B' ' 622' ' ' GLU . 42.7 mttp -89.01 -9.31 51.84 Favored 'General case' 0 N--CA 1.492 1.645 0 N-CA-C 106.066 -1.827 . . . . 0.0 106.066 176.271 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 627' ' ' ALA . . . . . . . . . . . . . . . -42.71 140.65 1.24 Allowed 'General case' 0 N--CA 1.491 1.585 0 CA-C-N 115.268 -0.878 . . . . 0.0 111.108 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 628' ' ' LYS . . . . . . . . . . . . . 44.2 mtmt -120.78 92.39 3.75 Favored 'General case' 0 N--CA 1.498 1.947 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 178.587 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 629' ' ' CYS . . . . . . . . . . . . . 1.3 m -51.3 117.38 2.56 Favored 'General case' 0 N--CA 1.494 1.768 0 CA-C-O 122.25 1.024 . . . . 0.0 111.748 -177.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 630' ' ' SER . . . . . . . . . . . . . 31.1 t -142.79 158.23 43.84 Favored 'General case' 0 N--CA 1.496 1.832 0 N-CA-C 107.391 -1.337 . . . . 0.0 107.391 177.702 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 631' ' ' GLU . . . . . 0.615 ' H ' ' CD ' ' B' ' 631' ' ' GLU . 12.4 pm0 -62.88 -23.56 67.38 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.247 -1.533 . . . . 0.0 109.806 -179.42 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 51.2 ttt180 -78.52 34.27 0.21 Allowed 'General case' 0 N--CA 1.491 1.598 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 178.149 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 633' ' ' GLY . . . . . 0.491 ' H ' ' C ' ' B' ' 631' ' ' GLU . . . 73.54 -171.89 51.16 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 107.476 -2.25 . . . . 0.0 107.476 -178.416 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 634' ' ' VAL . . . . . . . . . . . . . 7.1 p -76.71 140.34 17.34 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.385 0 O-C-N 120.341 -1.682 . . . . 0.0 109.22 179.253 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 15.8 m -133.16 135.86 56.02 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.121 0 O-C-N 121.117 -0.99 . . . . 0.0 109.598 179.052 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 636' ' ' ILE . . . . . 0.431 ' O ' HD12 ' B' ' 596' ' ' LEU . 95.2 mt -133.26 156.88 42.42 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.835 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 -179.576 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 637' ' ' ASN . . . . . 0.501 ' O ' ' N ' ' B' ' 639' ' ' GLU . 5.8 m120 -87.17 126.08 34.57 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.882 -1.136 . . . . 0.0 110.887 -179.188 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -48.29 -10.46 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.881 -0.512 . . . . 0.0 109.854 178.46 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 639' ' ' GLU . . . . . 0.501 ' N ' ' O ' ' B' ' 637' ' ' ASN . 37.8 tt0 -74.94 -17.39 60.56 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.028 -1.045 . . . . 0.0 109.331 179.165 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 640' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -87.96 -41.53 13.08 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 120.59 -1.319 . . . . 0.0 108.729 177.655 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 641' ' ' VAL . . . . . 0.418 ' H ' HG13 ' B' ' 641' ' ' VAL . 1.0 OUTLIER -70.38 -34.98 60.35 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.901 0 O-C-N 120.857 -1.152 . . . . 0.0 108.802 179.024 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 642' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -70.32 -38.54 74.92 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.347 -0.845 . . . . 0.0 109.717 -179.673 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 643' ' ' LEU . . . . . . . . . . . . . 88.1 mt -83.63 -19.15 35.95 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.013 -1.054 . . . . 0.0 108.865 178.735 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 644' ' ' ALA . . . . . . . . . . . . . . . -86.79 -53.14 5.09 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.908 -1.12 . . . . 0.0 108.066 178.01 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 645' ' ' LEU . . . . . 0.716 HD21 HD22 ' B' ' 619' ' ' LEU . 86.3 mt -56.22 -70.09 0.13 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.312 -0.868 . . . . 0.0 109.194 178.419 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 646' ' ' ASN . . . . . . . . . . . . . 33.7 p-10 -47.57 -9.79 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.944 -1.097 . . . . 0.0 110.948 -178.817 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 647' ' ' LYS . . . . . 0.535 ' N ' ' O ' ' B' ' 645' ' ' LEU . 22.7 ttmt -100.96 174.24 6.11 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.075 -1.016 . . . . 0.0 109.785 -179.502 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 648' ' ' HIS . . . . . 0.496 ' N ' ' CG ' ' B' ' 647' ' ' LYS . 63.4 m-70 55.71 9.59 0.44 Allowed 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 -179.713 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 649' ' ' MET . . . . . 0.432 ' H ' ' C ' ' B' ' 647' ' ' LYS . 13.4 ttm -94.23 144.2 25.72 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.554 -0.716 . . . . 0.0 109.563 -179.099 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 650' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 117.95 -1.024 . . . . 0.0 109.369 -179.963 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 301' ' ' GLU . . . . . . . . . . . . . 21.0 pt-20 . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 302' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -61.83 -64.76 0.84 Allowed 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.563 -0.71 . . . . 0.0 109.298 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 303' ' ' CYS . . . . . . . . . . . . . 19.9 t -76.54 -48.1 20.49 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.191 -0.943 . . . . 0.0 110.624 -179.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 16.2 m -51.7 -20.16 1.95 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.291 -0.881 . . . . 0.0 111.142 -178.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -102.97 -19.17 14.69 Favored 'General case' 0 N--CA 1.504 2.259 0 O-C-N 120.947 -1.096 . . . . 0.0 108.78 178.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 306' ' ' MET . . . . . . . . . . . . . 19.8 mmm -70.06 -23.44 63.08 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 107.662 -1.236 . . . . 0.0 107.662 177.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 307' ' ' ASN . . . . . 0.438 ' O ' ' C ' ' A' ' 308' ' ' GLN . 3.9 m-80 -91.82 -37.48 12.92 Favored 'General case' 0 N--CA 1.499 2.003 0 N-CA-C 106.931 -1.507 . . . . 0.0 106.931 178.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 308' ' ' GLN . . . . . 0.541 ' O ' ' N ' ' A' ' 310' ' ' CYS . 29.2 tt0 -35.64 -38.71 0.12 Allowed 'General case' 0 N--CA 1.506 2.347 0 CA-C-O 121.748 0.785 . . . . 0.0 109.255 178.321 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 309' ' ' VAL . . . . . 0.482 HG21 ' O ' ' B' ' 624' ' ' MET . 48.6 t -46.8 -12.42 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.775 0 CA-C-O 121.526 0.679 . . . . 0.0 109.759 179.377 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 310' ' ' CYS . . . . . 0.541 ' N ' ' O ' ' A' ' 308' ' ' GLN . 4.2 t -73.63 9.9 1.27 Allowed 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.512 -0.743 . . . . 0.0 109.547 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 311' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.314 0 N-CA-C 109.412 -1.475 . . . . 0.0 109.412 179.898 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 593' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.233 0 N-CA-C 109.315 -1.514 . . . . 0.0 109.315 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 594' ' ' SER . . . . . . . . . . . . . 74.4 m -82.27 164.55 21.08 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.223 -1.163 . . . . 0.0 109.987 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 595' ' ' LEU . . . . . . . . . . . . . 5.4 tt -94.06 117.54 30.24 Favored 'General case' 0 C--N 1.299 -1.605 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 596' ' ' LEU . . . . . 0.631 HD12 ' H ' ' B' ' 596' ' ' LEU . 0.0 OUTLIER -131.04 161.63 31.6 Favored 'General case' 0 N--CA 1.504 2.256 0 O-C-N 121.372 -0.83 . . . . 0.0 109.206 -179.834 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 597' ' ' ARG . . . . . 0.488 ' H ' ' CB ' ' B' ' 600' ' ' GLU . 0.9 OUTLIER -109.99 -156.17 0.58 Allowed 'General case' 0 N--CA 1.504 2.228 0 CA-C-O 121.687 0.756 . . . . 0.0 111.216 -178.864 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 598' ' ' CYS . . . . . 0.53 ' O ' ' N ' ' B' ' 600' ' ' GLU . 7.1 p -59.02 -105.39 0.0 OUTLIER 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.734 -0.604 . . . . 0.0 111.777 -178.046 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 599' ' ' SER . . . . . 0.528 ' O ' ' N ' ' B' ' 602' ' ' TRP . 14.5 t -44.21 -18.12 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.853 0 CA-C-O 121.852 0.834 . . . . 0.0 109.593 -178.719 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 600' ' ' GLU . . . . . 0.53 ' N ' ' O ' ' B' ' 598' ' ' CYS . 5.4 tp10 -47.63 -38.13 14.09 Favored 'General case' 0 C--N 1.301 -1.508 0 CA-C-O 122.733 1.254 . . . . 0.0 108.108 179.182 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 601' ' ' ILE . . . . . 0.574 ' O ' ' N ' ' B' ' 604' ' ' ARG . 1.3 mp -69.47 -32.04 51.49 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.07 0 N-CA-C 107.423 -1.325 . . . . 0.0 107.423 -179.323 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 602' ' ' TRP . . . . . 0.528 ' N ' ' O ' ' B' ' 599' ' ' SER . 59.4 t-105 -45.46 -36.77 4.63 Favored 'General case' 0 N--CA 1.495 1.809 0 N-CA-C 107.228 -1.397 . . . . 0.0 107.228 179.266 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 603' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -68.12 -43.55 78.15 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 107.5 -1.296 . . . . 0.0 107.5 177.33 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 604' ' ' ARG . . . . . 0.574 ' N ' ' O ' ' B' ' 601' ' ' ILE . 4.7 tpp180 -55.76 -50.47 70.34 Favored 'General case' 0 N--CA 1.497 1.923 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 178.513 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 605' ' ' ILE . . . . . . . . . . . . . 25.7 mm -46.98 -46.6 8.44 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.993 0 O-C-N 121.65 -0.656 . . . . 0.0 109.922 178.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 606' ' ' THR . . . . . . . . . . . . . 75.1 p . . . . . 0 C--N 1.297 -1.682 0 O-C-N 120.618 -1.301 . . . . 0.0 110.493 -178.893 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 614' ' ' ILE . . . . . 0.573 HG22 ' N ' ' B' ' 615' ' ' ASP . 77.3 mt . . . . . 0 N--CA 1.495 1.793 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 615' ' ' ASP . . . . . 0.573 ' N ' HG22 ' B' ' 614' ' ' ILE . 30.6 p-10 -119.9 117.52 28.33 Favored 'General case' 0 N--CA 1.495 1.8 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 179.364 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 616' ' ' VAL . . . . . . . . . . . . . 27.7 m -77.95 -16.79 14.02 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.389 -0.819 . . . . 0.0 108.988 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 617' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -75.07 -36.47 61.77 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.381 -0.824 . . . . 0.0 109.592 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 618' ' ' GLY . . . . . . . . . . . . . . . -67.27 -36.86 90.33 Favored Glycine 0 N--CA 1.488 2.162 0 N-CA-C 109.667 -1.373 . . . . 0.0 109.667 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 619' ' ' LEU . . . . . 0.424 HD13 HD21 ' B' ' 645' ' ' LEU . 3.5 mt -65.53 -29.34 69.96 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.016 -1.285 . . . . 0.0 108.109 179.516 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 620' ' ' CYS . . . . . . . . . . . . . 49.2 t -64.86 -52.72 55.09 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.599 -0.688 . . . . 0.0 110.702 -179.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 35.2 t -81.54 -2.78 51.2 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 120.433 -1.417 . . . . 0.0 110.123 -179.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 622' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -100.44 -43.29 6.27 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.134 -0.979 . . . . 0.0 109.273 178.235 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 623' ' ' LEU . . . . . . . . . . . . . 10.0 mp -87.51 -19.48 27.87 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 120.55 -1.344 . . . . 0.0 110.02 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 624' ' ' MET . . . . . 0.482 ' O ' HG21 ' A' ' 309' ' ' VAL . 0.8 OUTLIER -75.84 -27.87 58.01 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 120.775 -1.203 . . . . 0.0 111.643 -178.043 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 625' ' ' ALA . . . . . . . . . . . . . . . -101.89 -5.1 25.15 Favored 'General case' 0 N--CA 1.506 2.371 0 O-C-N 120.631 -1.293 . . . . 0.0 109.184 179.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 626' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -95.65 -12.39 25.64 Favored 'General case' 0 N--CA 1.493 1.716 0 N-CA-C 105.451 -2.055 . . . . 0.0 105.451 175.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 627' ' ' ALA . . . . . . . . . . . . . . . -48.65 145.05 3.87 Favored 'General case' 0 N--CA 1.492 1.635 0 CA-C-N 115.318 -0.855 . . . . 0.0 111.082 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 628' ' ' LYS . . . . . . . . . . . . . 44.4 mtpt -126.02 89.22 2.98 Favored 'General case' 0 N--CA 1.497 1.9 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 179.052 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 629' ' ' CYS . . . . . . . . . . . . . 18.2 t -49.28 120.7 4.24 Favored 'General case' 0 N--CA 1.494 1.734 0 CA-C-O 122.309 1.052 . . . . 0.0 111.376 -178.326 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 630' ' ' SER . . . . . . . . . . . . . 31.1 m -143.28 161.31 38.63 Favored 'General case' 0 N--CA 1.495 1.781 0 N-CA-C 107.861 -1.162 . . . . 0.0 107.861 178.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 631' ' ' GLU . . . . . 0.495 ' C ' ' H ' ' B' ' 633' ' ' GLY . 43.3 mm-40 -62.23 -24.61 67.35 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.477 -1.39 . . . . 0.0 109.0 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 56.6 mtp180 -80.39 33.25 0.29 Allowed 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 107.363 -1.347 . . . . 0.0 107.363 177.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 633' ' ' GLY . . . . . 0.495 ' H ' ' C ' ' B' ' 631' ' ' GLU . . . 71.14 -170.55 47.38 Favored Glycine 0 N--CA 1.488 2.149 0 N-CA-C 107.731 -2.148 . . . . 0.0 107.731 -178.441 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 634' ' ' VAL . . . . . . . . . . . . . 7.5 p -73.88 139.04 20.0 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.451 0 O-C-N 120.601 -1.529 . . . . 0.0 109.276 179.372 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 26.0 m -133.25 136.13 55.45 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.13 0 O-C-N 121.175 -0.953 . . . . 0.0 109.669 179.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 636' ' ' ILE . . . . . 0.412 HG22 ' N ' ' B' ' 637' ' ' ASN . 96.3 mt -134.97 154.74 37.0 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.847 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 -179.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 637' ' ' ASN . . . . . 0.557 HD22 ' N ' ' B' ' 637' ' ' ASN . 0.9 OUTLIER -81.56 132.38 35.31 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.099 -1.001 . . . . 0.0 110.122 -179.803 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -52.38 -10.57 0.15 Allowed 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.653 -0.655 . . . . 0.0 110.309 179.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 639' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -77.72 -19.76 54.69 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.837 -1.164 . . . . 0.0 109.526 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 640' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -88.65 -37.09 15.86 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 120.596 -1.315 . . . . 0.0 108.674 177.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 641' ' ' VAL . . . . . . . . . . . . . 2.1 m -76.0 -27.31 18.07 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.745 0 O-C-N 121.079 -1.013 . . . . 0.0 109.059 179.001 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 642' ' ' GLN . . . . . . . . . . . . . 9.4 tm0? -76.9 -33.51 57.78 Favored 'General case' 0 N--CA 1.491 1.625 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 178.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 643' ' ' LEU . . . . . . . . . . . . . 90.0 mt -85.33 -21.76 28.79 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.233 -0.917 . . . . 0.0 108.679 178.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 644' ' ' ALA . . . . . . . . . . . . . . . -85.65 -28.06 24.99 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.97 -1.081 . . . . 0.0 108.284 178.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 645' ' ' LEU . . . . . 0.424 HD21 HD13 ' B' ' 619' ' ' LEU . 66.0 mt -87.59 -23.33 24.34 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.444 -0.785 . . . . 0.0 109.455 179.259 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 646' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -94.1 -13.24 27.02 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.984 -1.073 . . . . 0.0 110.846 -179.088 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 647' ' ' LYS . . . . . . . . . . . . . 18.5 ptmt -91.37 -9.33 45.21 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 120.654 -1.279 . . . . 0.0 109.906 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 648' ' ' HIS . . . . . . . . . . . . . 40.2 m-70 -111.76 18.13 19.22 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.453 -0.779 . . . . 0.0 109.479 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 649' ' ' MET . . . . . . . . . . . . . 40.3 tpp -96.15 99.7 11.42 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.209 -0.932 . . . . 0.0 109.386 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 650' ' ' ASN . . . . . . . . . . . . . 12.9 m120 . . . . . 0 N--CA 1.491 1.609 0 CA-C-O 118.024 -0.989 . . . . 0.0 109.432 179.933 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 301' ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 . . . . . 0 N--CA 1.477 0.908 0 N-CA-C 108.423 -0.955 . . . . 0.0 108.423 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 302' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -67.72 -58.46 4.6 Favored 'General case' 0 C--N 1.306 -1.291 0 C-N-CA 119.093 -1.043 . . . . 0.0 109.376 -178.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 303' ' ' CYS . . . . . 0.498 ' SG ' ' OG ' ' B' ' 599' ' ' SER . 58.3 m -79.29 -51.6 9.23 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.253 -0.904 . . . . 0.0 110.117 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 19.2 t -48.26 -26.77 2.12 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.35 -0.844 . . . . 0.0 111.076 -178.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . 24.3 mtpp -102.09 -13.89 17.32 Favored 'General case' 0 N--CA 1.502 2.166 0 O-C-N 120.873 -1.142 . . . . 0.0 108.972 178.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 306' ' ' MET . . . . . . . . . . . . . 5.7 tpp -72.4 -27.07 62.13 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 120.55 -1.344 . . . . 0.0 107.507 177.029 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 307' ' ' ASN . . . . . 0.486 ' O ' ' N ' ' A' ' 310' ' ' CYS . 1.2 p-10 -86.42 -38.15 17.64 Favored 'General case' 0 N--CA 1.498 1.944 0 N-CA-C 106.734 -1.58 . . . . 0.0 106.734 178.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 308' ' ' GLN . . . . . 0.524 ' O ' ' N ' ' A' ' 311' ' ' GLY . 9.0 tp-100 -37.36 -41.16 0.4 Allowed 'General case' 0 N--CA 1.503 2.224 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 178.735 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 309' ' ' VAL . . . . . . . . . . . . . 15.1 t -46.73 -16.74 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.961 0 CA-C-O 122.081 0.944 . . . . 0.0 109.05 179.155 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 310' ' ' CYS . . . . . 0.515 ' N ' ' O ' ' A' ' 308' ' ' GLN . 54.5 m -93.1 -20.61 20.35 Favored 'General case' 0 C--N 1.303 -1.414 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.907 -179.162 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 311' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' A' ' 308' ' ' GLN . . . . . . . . 0 N--CA 1.491 2.338 0 N-CA-C 109.462 -1.455 . . . . 0.0 109.462 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 593' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.148 0 N-CA-C 108.976 -1.65 . . . . 0.0 108.976 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 594' ' ' SER . . . . . 0.401 ' C ' HD12 ' B' ' 595' ' ' LEU . 69.6 m -108.77 164.51 12.32 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.444 -1.033 . . . . 0.0 110.0 179.788 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 595' ' ' LEU . . . . . 0.573 HD12 ' N ' ' B' ' 595' ' ' LEU . 8.4 mp -94.28 117.99 30.92 Favored 'General case' 0 C--N 1.3 -1.565 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 596' ' ' LEU . . . . . 0.594 HD12 ' H ' ' B' ' 596' ' ' LEU . 0.0 OUTLIER -128.93 146.67 50.89 Favored 'General case' 0 N--CA 1.505 2.279 0 O-C-N 121.343 -0.848 . . . . 0.0 108.85 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 597' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -86.67 -164.99 1.15 Allowed 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.259 -0.9 . . . . 0.0 109.858 -179.405 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 598' ' ' CYS . . . . . 0.493 ' O ' ' N ' ' B' ' 600' ' ' GLU . 5.2 p -67.93 -88.38 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.3 -0.875 . . . . 0.0 111.142 -178.436 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 599' ' ' SER . . . . . 0.498 ' OG ' ' SG ' ' A' ' 303' ' ' CYS . 1.4 m -44.69 -21.35 0.05 Allowed 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.042 -1.036 . . . . 0.0 109.206 -179.432 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 600' ' ' GLU . . . . . 0.493 ' N ' ' O ' ' B' ' 598' ' ' CYS . 5.0 tp10 -46.63 -39.92 12.12 Favored 'General case' 0 C--N 1.299 -1.605 0 CA-C-O 122.332 1.063 . . . . 0.0 108.633 179.354 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 601' ' ' ILE . . . . . 0.558 ' O ' ' N ' ' B' ' 604' ' ' ARG . 1.4 mp -69.89 -32.0 50.14 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.065 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 -178.54 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 602' ' ' TRP . . . . . 0.461 ' N ' ' O ' ' B' ' 599' ' ' SER . 17.7 t-105 -45.23 -38.15 5.22 Favored 'General case' 0 N--CA 1.493 1.698 0 N-CA-C 107.452 -1.314 . . . . 0.0 107.452 179.399 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 603' ' ' ASP . . . . . 0.432 ' O ' ' OG1' ' B' ' 606' ' ' THR . 39.9 t0 -68.07 -43.22 79.06 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 107.637 -1.246 . . . . 0.0 107.637 177.394 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 604' ' ' ARG . . . . . 0.558 ' N ' ' O ' ' B' ' 601' ' ' ILE . 25.4 mmt180 -55.4 -31.41 61.81 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.115 -0.991 . . . . 0.0 108.676 178.651 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 605' ' ' ILE . . . . . 0.401 ' O ' ' C ' ' B' ' 606' ' ' THR . 51.9 mt -80.76 -45.83 21.29 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.93 0 O-C-N 121.532 -0.73 . . . . 0.0 110.416 179.642 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 606' ' ' THR . . . . . 0.432 ' OG1' ' O ' ' B' ' 603' ' ' ASP . 16.4 p . . . . . 0 N--CA 1.497 1.92 0 O-C-N 121.28 -0.887 . . . . 0.0 110.189 -179.032 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 614' ' ' ILE . . . . . . . . . . . . . 5.0 mt . . . . . 0 N--CA 1.498 1.932 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 615' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 57.59 90.64 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.915 -1.116 . . . . 0.0 109.071 -179.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 616' ' ' VAL . . . . . . . . . . . . . 47.0 t -78.36 -16.74 13.77 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 CA-C-O 121.755 0.788 . . . . 0.0 108.94 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 617' ' ' ASP . . . . . 0.415 ' O ' ' SG ' ' B' ' 620' ' ' CYS . 1.4 m-20 -74.61 -32.72 62.42 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.427 -0.795 . . . . 0.0 109.301 179.516 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 618' ' ' GLY . . . . . 0.423 ' O ' ' OE1' ' B' ' 622' ' ' GLU . . . -68.68 -34.52 78.46 Favored Glycine 0 N--CA 1.49 2.233 0 N-CA-C 109.672 -1.371 . . . . 0.0 109.672 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 619' ' ' LEU . . . . . 0.483 HD13 HD21 ' B' ' 645' ' ' LEU . 1.9 mt -68.17 -28.98 67.75 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.025 -1.28 . . . . 0.0 108.547 179.796 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 620' ' ' CYS . . . . . 0.581 ' SG ' ' N ' ' B' ' 621' ' ' SER . 1.5 p -65.99 -47.56 74.14 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.236 -0.915 . . . . 0.0 110.479 -179.65 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 621' ' ' SER . . . . . 0.581 ' N ' ' SG ' ' B' ' 620' ' ' CYS . 34.9 t -83.01 -2.12 54.43 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 120.489 -1.382 . . . . 0.0 110.423 -179.344 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 622' ' ' GLU . . . . . 0.492 ' OE2' ' CE1' ' B' ' 648' ' ' HIS . 34.0 mt-10 -99.78 -43.99 6.24 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.007 -1.058 . . . . 0.0 109.135 177.718 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 623' ' ' LEU . . . . . 0.402 HD12 ' N ' ' B' ' 623' ' ' LEU . 8.3 mp -86.43 -20.76 27.7 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 120.994 -1.066 . . . . 0.0 110.277 -179.719 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 624' ' ' MET . . . . . . . . . . . . . 10.3 ttt -72.33 -28.76 63.26 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 120.845 -1.159 . . . . 0.0 111.818 -178.153 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 625' ' ' ALA . . . . . . . . . . . . . . . -105.32 -4.74 21.19 Favored 'General case' 0 N--CA 1.505 2.322 0 O-C-N 120.694 -1.254 . . . . 0.0 109.632 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 626' ' ' LYS . . . . . . . . . . . . . 53.7 mmtt -91.29 -13.72 32.14 Favored 'General case' 0 N--CA 1.492 1.636 0 N-CA-C 106.336 -1.727 . . . . 0.0 106.336 176.358 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 627' ' ' ALA . . . . . . . . . . . . . . . -45.15 136.18 5.16 Favored 'General case' 0 N--CA 1.491 1.618 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.171 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 628' ' ' LYS . . . . . . . . . . . . . 5.2 mtpm? -113.52 92.05 3.86 Favored 'General case' 0 N--CA 1.498 1.968 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 178.362 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 629' ' ' CYS . . . . . . . . . . . . . 81.6 m -53.53 119.41 4.83 Favored 'General case' 0 N--CA 1.493 1.694 0 CA-C-O 122.459 1.123 . . . . 0.0 111.829 -177.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 630' ' ' SER . . . . . . . . . . . . . 48.2 t -142.88 160.06 41.05 Favored 'General case' 0 N--CA 1.493 1.72 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 178.316 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 631' ' ' GLU . . . . . 0.506 ' C ' ' H ' ' B' ' 633' ' ' GLY . 40.8 mt-10 -64.28 -22.46 66.96 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.34 -1.475 . . . . 0.0 109.365 -179.686 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 632' ' ' ARG . . . . . 0.542 ' CG ' HH11 ' B' ' 632' ' ' ARG . 0.3 OUTLIER -79.47 33.68 0.25 Allowed 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 107.572 -1.27 . . . . 0.0 107.572 178.125 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 633' ' ' GLY . . . . . 0.506 ' H ' ' C ' ' B' ' 631' ' ' GLU . . . 73.1 -170.67 51.82 Favored Glycine 0 N--CA 1.49 2.285 0 N-CA-C 107.531 -2.227 . . . . 0.0 107.531 -178.489 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 634' ' ' VAL . . . . . . . . . . . . . 7.1 p -77.32 141.16 15.96 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.43 0 O-C-N 120.423 -1.634 . . . . 0.0 109.631 179.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 33.6 m -135.87 140.34 44.36 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.965 0 O-C-N 121.23 -0.919 . . . . 0.0 109.24 179.116 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 636' ' ' ILE . . . . . 0.54 ' O ' HD12 ' B' ' 596' ' ' LEU . 95.8 mt -133.75 154.67 38.86 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.893 0 O-C-N 121.439 -0.788 . . . . 0.0 109.209 -179.383 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 637' ' ' ASN . . . . . 0.522 ' O ' ' N ' ' B' ' 639' ' ' GLU . 0.7 OUTLIER -85.84 129.47 34.82 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.095 -1.003 . . . . 0.0 109.819 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 638' ' ' ALA . . . . . 0.557 ' C ' HE21 ' B' ' 642' ' ' GLN . . . -46.83 -10.64 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.759 -0.588 . . . . 0.0 110.827 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 639' ' ' GLU . . . . . 0.522 ' N ' ' O ' ' B' ' 637' ' ' ASN . 34.3 tt0 -78.27 -18.54 55.16 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.887 -1.133 . . . . 0.0 110.089 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 640' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -86.54 -50.92 6.49 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 120.359 -1.463 . . . . 0.0 108.724 178.066 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 641' ' ' VAL . . . . . 0.413 HG12 ' H ' ' B' ' 641' ' ' VAL . 0.8 OUTLIER -60.82 -46.66 95.81 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 120.851 -1.156 . . . . 0.0 108.578 178.671 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 642' ' ' GLN . . . . . 0.557 HE21 ' C ' ' B' ' 638' ' ' ALA . 33.4 mt-30 -57.98 -36.41 72.58 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.0 -1.063 . . . . 0.0 109.52 -179.758 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 643' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -83.5 -20.3 34.21 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.17 -0.957 . . . . 0.0 108.65 178.69 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 644' ' ' ALA . . . . . . . . . . . . . . . -87.54 -33.14 19.04 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.905 -1.122 . . . . 0.0 108.913 178.385 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 645' ' ' LEU . . . . . 0.534 ' O ' ' N ' ' B' ' 647' ' ' LYS . 34.7 mt -84.72 -69.54 0.64 Allowed 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.156 -0.965 . . . . 0.0 109.185 179.317 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 646' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -45.9 -14.23 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.215 -0.928 . . . . 0.0 110.367 -179.182 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 647' ' ' LYS . . . . . 0.534 ' N ' ' O ' ' B' ' 645' ' ' LEU . 79.0 tttt -97.4 -9.82 26.64 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.003 -1.061 . . . . 0.0 109.709 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 648' ' ' HIS . . . . . 0.492 ' CE1' ' OE2' ' B' ' 622' ' ' GLU . 0.3 OUTLIER -111.25 12.77 21.74 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.422 -0.799 . . . . 0.0 109.49 -179.888 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 649' ' ' MET . . . . . . . . . . . . . 36.9 tpp -96.92 133.57 41.38 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.189 -0.945 . . . . 0.0 109.447 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 650' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 . . . . . 0 N--CA 1.49 1.555 0 CA-C-O 118.057 -0.973 . . . . 0.0 109.47 179.968 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 301' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 . . . . . 0 N--CA 1.491 1.619 0 CA-C-O 121.677 0.751 . . . . 0.0 109.317 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 302' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -65.02 -58.73 5.34 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.279 -0.888 . . . . 0.0 109.512 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 303' ' ' CYS . . . . . . . . . . . . . 60.9 m -84.75 -42.87 14.79 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.348 -0.845 . . . . 0.0 110.396 -179.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 40.2 t -54.2 -25.13 21.19 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.22 -0.925 . . . . 0.0 110.0 -179.413 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . 9.7 tmtt? -97.09 -22.18 16.93 Favored 'General case' 0 N--CA 1.5 2.068 0 N-CA-C 107.046 -1.464 . . . . 0.0 107.046 178.22 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 306' ' ' MET . . . . . 0.516 ' O ' HG22 ' A' ' 309' ' ' VAL . 15.3 ttt -70.45 -19.61 62.95 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 106.941 -1.503 . . . . 0.0 106.941 176.398 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 307' ' ' ASN . . . . . 0.437 ' O ' ' C ' ' A' ' 308' ' ' GLN . 87.9 m-20 -82.96 -38.29 22.94 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 106.076 -1.824 . . . . 0.0 106.076 178.339 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 308' ' ' GLN . . . . . 0.534 ' O ' ' N ' ' A' ' 310' ' ' CYS . 6.5 tp-100 -36.99 -41.41 0.34 Allowed 'General case' 0 N--CA 1.507 2.415 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 178.605 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 309' ' ' VAL . . . . . 0.516 HG22 ' O ' ' A' ' 306' ' ' MET . 10.3 m -43.03 -20.36 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.501 2.122 0 CA-C-O 122.055 0.931 . . . . 0.0 109.104 178.656 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 310' ' ' CYS . . . . . 0.534 ' N ' ' O ' ' A' ' 308' ' ' GLN . 67.9 m -102.02 -31.67 10.54 Favored 'General case' 0 N--CA 1.488 1.466 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.564 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 311' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 308' ' ' GLN . . . . . . . . 0 N--CA 1.492 2.394 0 N-CA-C 109.695 -1.362 . . . . 0.0 109.695 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 593' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.299 0 N-CA-C 109.192 -1.563 . . . . 0.0 109.192 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 594' ' ' SER . . . . . 0.414 ' C ' HD22 ' B' ' 595' ' ' LEU . 60.6 m -81.16 166.61 20.5 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.194 -1.18 . . . . 0.0 110.162 -179.773 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 595' ' ' LEU . . . . . 0.64 HD22 ' N ' ' B' ' 595' ' ' LEU . 3.6 mm? -94.2 125.53 38.9 Favored 'General case' 0 C--N 1.3 -1.581 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 179.591 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 596' ' ' LEU . . . . . . . . . . . . . 1.2 mp -128.27 154.33 46.01 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.295 -0.878 . . . . 0.0 109.623 -179.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 597' ' ' ARG . . . . . . . . . . . . . 86.3 mtt180 -102.14 -143.99 0.35 Allowed 'General case' 0 N--CA 1.501 2.105 0 O-C-N 121.473 -0.767 . . . . 0.0 111.42 -178.103 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 598' ' ' CYS . . . . . 0.593 ' SG ' ' N ' ' B' ' 599' ' ' SER . 12.5 t -75.98 -100.21 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.615 -0.678 . . . . 0.0 111.217 -178.217 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 599' ' ' SER . . . . . 0.593 ' N ' ' SG ' ' B' ' 598' ' ' CYS . 91.0 p -44.3 -19.89 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.951 0 CA-C-O 122.149 0.976 . . . . 0.0 109.377 -179.045 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 600' ' ' GLU . . . . . 0.517 ' N ' ' O ' ' B' ' 598' ' ' CYS . 11.9 tp10 -47.31 -40.28 16.65 Favored 'General case' 0 C--N 1.3 -1.557 0 CA-C-O 122.668 1.223 . . . . 0.0 108.392 178.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 601' ' ' ILE . . . . . 0.576 ' O ' ' N ' ' B' ' 604' ' ' ARG . 1.4 mp -68.87 -31.72 51.77 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.077 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -178.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 602' ' ' TRP . . . . . 0.464 ' N ' ' O ' ' B' ' 599' ' ' SER . 59.1 t-105 -45.37 -39.95 7.41 Favored 'General case' 0 N--CA 1.494 1.738 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 179.519 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 603' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -65.13 -42.6 93.73 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 107.432 -1.322 . . . . 0.0 107.432 177.351 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 604' ' ' ARG . . . . . 0.576 ' N ' ' O ' ' B' ' 601' ' ' ILE . 0.2 OUTLIER -56.24 -43.9 79.1 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.23 -0.918 . . . . 0.0 109.183 178.65 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 605' ' ' ILE . . . . . . . . . . . . . 19.8 mm -58.66 -47.17 89.61 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.922 0 O-C-N 121.431 -0.793 . . . . 0.0 110.246 179.259 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 606' ' ' THR . . . . . . . . . . . . . 68.7 p . . . . . 0 N--CA 1.493 1.706 0 O-C-N 120.747 -1.221 . . . . 0.0 110.394 -179.13 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 614' ' ' ILE . . . . . 0.581 HG22 ' N ' ' B' ' 615' ' ' ASP . 89.3 mt . . . . . 0 N--CA 1.497 1.889 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 615' ' ' ASP . . . . . 0.581 ' N ' HG22 ' B' ' 614' ' ' ILE . 65.1 m-20 -113.28 118.37 34.44 Favored 'General case' 0 N--CA 1.492 1.635 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 179.088 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 616' ' ' VAL . . . . . . . . . . . . . 79.4 t -76.18 -19.04 15.23 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.558 0 O-C-N 121.234 -0.916 . . . . 0.0 108.953 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 617' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.89 -41.05 23.69 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.324 -0.86 . . . . 0.0 110.072 -179.553 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 618' ' ' GLY . . . . . . . . . . . . . . . -69.24 -49.32 40.39 Favored Glycine 0 N--CA 1.489 2.215 0 N-CA-C 109.099 -1.601 . . . . 0.0 109.099 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 619' ' ' LEU . . . . . 0.686 ' C ' HD12 ' B' ' 619' ' ' LEU . 1.0 OUTLIER -64.36 -20.01 65.84 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.245 -1.15 . . . . 0.0 108.938 179.685 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 620' ' ' CYS . . . . . . . . . . . . . 10.2 t -72.69 -43.79 62.62 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.103 -0.998 . . . . 0.0 109.208 179.325 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 17.2 m -80.37 -0.34 36.51 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.016 -1.053 . . . . 0.0 108.661 179.144 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 622' ' ' GLU . . . . . . . . . . . . . 58.5 tt0 -97.52 -45.31 6.47 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.415 -0.803 . . . . 0.0 109.326 177.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 623' ' ' LEU . . . . . . . . . . . . . 9.6 mp -85.44 -27.92 25.41 Favored 'General case' 0 N--CA 1.501 2.08 0 O-C-N 120.614 -1.304 . . . . 0.0 109.858 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 624' ' ' MET . . . . . . . . . . . . . 23.7 ttm -64.09 -32.45 74.01 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.255 -0.903 . . . . 0.0 112.239 -177.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 625' ' ' ALA . . . . . . . . . . . . . . . -105.02 -5.87 20.54 Favored 'General case' 0 N--CA 1.507 2.382 0 O-C-N 120.818 -1.176 . . . . 0.0 110.001 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 626' ' ' LYS . . . . . . . . . . . . . 58.5 mmtt -88.67 -10.0 50.05 Favored 'General case' 0 N--CA 1.493 1.687 0 N-CA-C 106.041 -1.837 . . . . 0.0 106.041 176.175 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 627' ' ' ALA . . . . . . . . . . . . . . . -45.52 137.26 5.15 Favored 'General case' 0 N--CA 1.491 1.595 0 CA-C-N 115.246 -0.888 . . . . 0.0 111.435 -179.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 628' ' ' LYS . . . . . . . . . . . . . 27.7 mmtp -115.11 92.21 3.86 Favored 'General case' 0 N--CA 1.499 2.009 0 N-CA-C 107.915 -1.143 . . . . 0.0 107.915 178.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 629' ' ' CYS . . . . . . . . . . . . . 96.3 m -54.57 124.28 15.74 Favored 'General case' 0 N--CA 1.493 1.679 0 CA-C-O 122.491 1.139 . . . . 0.0 112.313 -177.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 630' ' ' SER . . . . . . . . . . . . . 43.4 t -143.04 159.24 42.63 Favored 'General case' 0 N--CA 1.491 1.61 0 N-CA-C 107.163 -1.421 . . . . 0.0 107.163 177.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 631' ' ' GLU . . . . . 0.619 ' H ' ' CD ' ' B' ' 631' ' ' GLU . 1.3 pm0 -63.27 -19.77 64.86 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.279 -1.513 . . . . 0.0 109.324 -179.576 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 90.9 mtt180 -81.63 33.86 0.37 Allowed 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 107.395 -1.335 . . . . 0.0 107.395 177.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 633' ' ' GLY . . . . . 0.477 ' H ' ' C ' ' B' ' 631' ' ' GLU . . . 73.65 -169.34 53.52 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 107.747 -2.141 . . . . 0.0 107.747 -178.448 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 634' ' ' VAL . . . . . . . . . . . . . 7.6 p -77.55 144.36 11.57 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.416 0 O-C-N 120.476 -1.602 . . . . 0.0 109.445 179.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 28.2 m -138.11 141.17 38.93 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.0 0 O-C-N 121.065 -1.022 . . . . 0.0 109.394 179.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 636' ' ' ILE . . . . . . . . . . . . . 88.4 mt -131.6 151.69 35.85 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.949 0 O-C-N 121.505 -0.747 . . . . 0.0 109.426 -179.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 637' ' ' ASN . . . . . 0.407 ' O ' ' N ' ' B' ' 639' ' ' GLU . 28.1 m-20 -86.39 133.23 33.8 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.214 -0.929 . . . . 0.0 109.455 179.794 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -48.92 -11.02 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.735 -0.603 . . . . 0.0 111.766 -179.14 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 639' ' ' GLU . . . . . 0.407 ' N ' ' O ' ' B' ' 637' ' ' ASN . 7.7 pt-20 -85.76 -21.81 28.02 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 120.543 -1.348 . . . . 0.0 111.338 -178.783 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 640' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -82.83 -38.82 22.52 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 120.228 -1.545 . . . . 0.0 108.051 178.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 641' ' ' VAL . . . . . 0.601 HG13 ' N ' ' B' ' 642' ' ' GLN . 7.0 p -71.91 -51.52 30.81 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.633 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 177.65 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 642' ' ' GLN . . . . . 0.601 ' N ' HG13 ' B' ' 641' ' ' VAL . 67.1 tp60 -48.73 -31.76 7.41 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.735 -1.228 . . . . 0.0 108.837 179.748 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 643' ' ' LEU . . . . . . . . . . . . . 68.8 mt -84.17 -17.71 39.06 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.081 -1.012 . . . . 0.0 108.872 177.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 644' ' ' ALA . . . . . 0.536 ' N ' ' O ' ' B' ' 641' ' ' VAL . . . -87.91 -32.77 18.77 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 120.828 -1.17 . . . . 0.0 109.351 178.536 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 645' ' ' LEU . . . . . . . . . . . . . 64.2 mt -87.24 -24.57 24.34 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.163 -0.96 . . . . 0.0 110.001 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 646' ' ' ASN . . . . . . . . . . . . . 37.9 t30 -91.23 -12.67 34.57 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 120.886 -1.133 . . . . 0.0 110.313 -179.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 647' ' ' LYS . . . . . . . . . . . . . 39.5 mttp -89.43 -4.79 57.86 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 120.877 -1.139 . . . . 0.0 109.248 179.629 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 648' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -112.84 18.97 17.77 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.442 -0.786 . . . . 0.0 109.58 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 649' ' ' MET . . . . . . . . . . . . . 44.2 mtt -96.29 122.74 39.49 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.143 -0.973 . . . . 0.0 109.345 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 650' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 . . . . . 0 N--CA 1.49 1.546 0 CA-C-O 118.002 -0.999 . . . . 0.0 109.464 -179.966 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 301' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 . . . . . 0 N--CA 1.487 1.414 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 302' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -63.03 -66.13 0.59 Allowed 'General case' 0 C--N 1.302 -1.467 0 C-N-CA 119.711 -0.796 . . . . 0.0 109.1 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 303' ' ' CYS . . . . . . . . . . . . . 16.5 t -83.4 -46.09 12.93 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.331 -0.856 . . . . 0.0 109.855 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 49.2 m -48.66 -26.59 2.36 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.355 -0.841 . . . . 0.0 110.17 -179.463 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . 58.3 tttm -102.26 -14.91 16.79 Favored 'General case' 0 N--CA 1.502 2.131 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 178.275 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 306' ' ' MET . . . . . . . . . . . . . 2.4 tpp -71.59 -25.74 62.31 Favored 'General case' 0 C--N 1.301 -1.537 0 N-CA-C 107.579 -1.267 . . . . 0.0 107.579 176.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 307' ' ' ASN . . . . . 0.433 ' O ' ' C ' ' A' ' 308' ' ' GLN . 88.7 m-20 -87.21 -39.28 15.6 Favored 'General case' 0 N--CA 1.494 1.734 0 N-CA-C 106.679 -1.6 . . . . 0.0 106.679 178.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 308' ' ' GLN . . . . . 0.542 ' O ' ' N ' ' A' ' 310' ' ' CYS . 8.5 tp-100 -36.27 -39.3 0.18 Allowed 'General case' 0 N--CA 1.505 2.277 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.486 178.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 309' ' ' VAL . . . . . 0.418 ' CG2' ' SD ' ' B' ' 624' ' ' MET . 38.6 t -46.85 -13.01 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.891 0 C-N-CA 119.905 -0.718 . . . . 0.0 109.644 179.46 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 310' ' ' CYS . . . . . 0.542 ' N ' ' O ' ' A' ' 308' ' ' GLN . 8.9 t -72.24 -47.95 46.48 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.391 -0.818 . . . . 0.0 109.541 179.343 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 311' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.396 0 N-CA-C 109.672 -1.371 . . . . 0.0 109.672 -179.916 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 593' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.213 0 N-CA-C 109.134 -1.586 . . . . 0.0 109.134 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 594' ' ' SER . . . . . . . . . . . . . 71.9 m -101.75 164.61 11.65 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.321 -1.105 . . . . 0.0 110.001 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 595' ' ' LEU . . . . . 0.502 ' N ' HD12 ' B' ' 595' ' ' LEU . 7.7 mp -95.83 120.05 35.4 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 596' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -128.12 155.47 44.37 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.432 -0.793 . . . . 0.0 109.407 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 597' ' ' ARG . . . . . . . . . . . . . 66.7 mtm180 -87.78 -174.66 4.84 Favored 'General case' 0 N--CA 1.492 1.67 0 CA-C-O 121.97 0.891 . . . . 0.0 110.896 -179.092 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 598' ' ' CYS . . . . . 0.526 ' O ' ' N ' ' B' ' 600' ' ' GLU . 4.5 p -53.74 -103.07 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.73 0 CA-C-O 121.48 0.657 . . . . 0.0 111.902 -177.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 6.5 t -43.46 -17.86 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.449 -0.782 . . . . 0.0 110.613 -178.116 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 600' ' ' GLU . . . . . 0.526 ' N ' ' O ' ' B' ' 598' ' ' CYS . 41.3 tt0 -53.43 -32.32 49.29 Favored 'General case' 0 C--N 1.302 -1.479 0 C-N-CA 118.62 -1.232 . . . . 0.0 107.954 -179.527 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 601' ' ' ILE . . . . . 0.572 ' O ' ' N ' ' B' ' 604' ' ' ARG . 1.0 OUTLIER -70.62 -40.29 76.95 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.294 0 N-CA-C 107.493 -1.299 . . . . 0.0 107.493 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 602' ' ' TRP . . . . . 0.4 ' C ' ' O ' ' B' ' 601' ' ' ILE . 27.2 t-105 -41.43 -38.27 1.22 Allowed 'General case' 0 N--CA 1.496 1.83 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 603' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -70.62 -41.79 71.77 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 178.079 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 604' ' ' ARG . . . . . 0.572 ' N ' ' O ' ' B' ' 601' ' ' ILE . 4.4 tpp180 -57.03 -22.31 37.86 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.603 -0.685 . . . . 0.0 110.529 179.667 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 605' ' ' ILE . . . . . . . . . . . . . 3.6 mt -88.68 -35.79 8.27 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.147 0 O-C-N 120.822 -1.174 . . . . 0.0 110.621 -177.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 606' ' ' THR . . . . . . . . . . . . . 57.9 p . . . . . 0 N--CA 1.492 1.641 0 O-C-N 121.425 -0.797 . . . . 0.0 110.185 -178.935 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 614' ' ' ILE . . . . . 0.57 HG22 ' N ' ' B' ' 615' ' ' ASP . 86.2 mt . . . . . 0 N--CA 1.492 1.658 0 CA-C-O 121.729 0.776 . . . . 0.0 110.853 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 615' ' ' ASP . . . . . 0.57 ' N ' HG22 ' B' ' 614' ' ' ILE . 0.9 OUTLIER -115.45 107.65 15.46 Favored 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 107.894 -1.15 . . . . 0.0 107.894 179.176 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 616' ' ' VAL . . . . . . . . . . . . . 4.2 p -75.22 -18.59 16.07 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.523 0 O-C-N 121.232 -0.918 . . . . 0.0 108.8 -179.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 617' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -81.05 -38.55 27.21 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.439 -0.788 . . . . 0.0 109.832 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 618' ' ' GLY . . . . . . . . . . . . . . . -70.06 -41.2 71.54 Favored Glycine 0 N--CA 1.489 2.226 0 N-CA-C 109.183 -1.567 . . . . 0.0 109.183 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 619' ' ' LEU . . . . . 0.709 ' C ' HD12 ' B' ' 619' ' ' LEU . 0.6 OUTLIER -68.47 -22.82 64.54 Favored 'General case' 0 N--CA 1.486 1.346 0 O-C-N 121.219 -1.165 . . . . 0.0 108.063 179.44 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 620' ' ' CYS . . . . . . . . . . . . . 44.6 t -69.66 -49.2 55.97 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.42 -0.8 . . . . 0.0 110.177 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 30.2 t -79.21 -4.96 53.09 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 120.913 -1.117 . . . . 0.0 109.61 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 622' ' ' GLU . . . . . . . . . . . . . 38.5 tp10 -101.39 -34.01 9.77 Favored 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 108.377 -0.972 . . . . 0.0 108.377 177.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 623' ' ' LEU . . . . . 0.43 HD11 HG12 ' B' ' 641' ' ' VAL . 5.7 tt -89.63 -28.88 19.22 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 120.99 -1.069 . . . . 0.0 109.56 179.446 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 624' ' ' MET . . . . . 0.418 ' SD ' ' CG2' ' A' ' 309' ' ' VAL . 0.3 OUTLIER -77.74 -30.0 51.39 Favored 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 113.352 0.871 . . . . 0.0 113.352 -177.26 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 625' ' ' ALA . . . . . . . . . . . . . . . -96.02 -3.62 44.57 Favored 'General case' 0 N--CA 1.507 2.383 0 O-C-N 120.446 -1.408 . . . . 0.0 109.643 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 626' ' ' LYS . . . . . . . . . . . . . 4.2 tppt? -91.92 -2.75 56.64 Favored 'General case' 0 N--CA 1.492 1.651 0 N-CA-C 105.92 -1.882 . . . . 0.0 105.92 175.451 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 627' ' ' ALA . . . . . . . . . . . . . . . -52.93 147.88 8.56 Favored 'General case' 0 N--CA 1.494 1.741 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.769 -179.101 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 628' ' ' LYS . . . . . . . . . . . . . 84.1 mttt -121.98 88.72 2.99 Favored 'General case' 0 N--CA 1.496 1.862 0 N-CA-C 107.845 -1.168 . . . . 0.0 107.845 178.539 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 629' ' ' CYS . . . . . . . . . . . . . 16.6 t -51.81 137.97 24.85 Favored 'General case' 0 N--CA 1.492 1.652 0 CA-C-O 122.235 1.017 . . . . 0.0 111.704 -178.005 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 630' ' ' SER . . . . . . . . . . . . . 4.6 t -142.47 162.74 34.69 Favored 'General case' 0 N--CA 1.493 1.717 0 N-CA-C 107.526 -1.287 . . . . 0.0 107.526 178.411 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 631' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -67.19 -32.35 73.37 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.468 -1.395 . . . . 0.0 109.996 -179.274 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 74.5 mtm180 -72.57 -16.14 61.75 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.73 -1.231 . . . . 0.0 108.511 179.19 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 633' ' ' GLY . . . . . . . . . . . . . . . 134.86 -177.27 19.42 Favored Glycine 0 N--CA 1.497 2.73 0 N-CA-C 108.569 -1.812 . . . . 0.0 108.569 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 634' ' ' VAL . . . . . . . . . . . . . 7.2 p -75.46 140.85 16.69 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.389 0 O-C-N 120.598 -1.531 . . . . 0.0 109.769 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 11.6 m -136.14 140.33 44.04 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.976 0 O-C-N 121.217 -0.927 . . . . 0.0 108.594 178.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 636' ' ' ILE . . . . . . . . . . . . . 64.3 mt -136.2 153.36 31.46 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.909 0 O-C-N 121.537 -0.727 . . . . 0.0 109.329 -179.004 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 637' ' ' ASN . . . . . . . . . . . . . 15.8 m-20 -83.76 138.3 33.33 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.292 -0.88 . . . . 0.0 109.102 179.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -60.57 -10.77 5.58 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.383 -0.823 . . . . 0.0 110.261 -179.402 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 639' ' ' GLU . . . . . . . . . . . . . 76.5 mt-10 -79.49 -20.62 46.86 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.649 -1.282 . . . . 0.0 109.548 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 640' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -85.68 -34.48 21.29 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 120.594 -1.316 . . . . 0.0 108.298 178.073 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 641' ' ' VAL . . . . . 0.43 HG12 HD11 ' B' ' 623' ' ' LEU . 1.6 m -79.06 -33.33 15.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 178.458 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 642' ' ' GLN . . . . . 0.428 ' O ' ' OD1' ' B' ' 646' ' ' ASN . 33.3 tt0 -65.54 -37.41 86.66 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.261 -0.9 . . . . 0.0 108.76 178.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 643' ' ' LEU . . . . . . . . . . . . . 27.8 mt -84.83 -21.9 29.68 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.447 -0.783 . . . . 0.0 109.242 178.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 644' ' ' ALA . . . . . . . . . . . . . . . -84.36 -24.43 29.72 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.576 -1.327 . . . . 0.0 107.862 177.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 645' ' ' LEU . . . . . . . . . . . . . 28.8 mt -88.87 -25.22 22.27 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.406 -0.809 . . . . 0.0 109.247 178.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 646' ' ' ASN . . . . . 0.428 ' OD1' ' O ' ' B' ' 642' ' ' GLN . 19.5 m120 -90.9 -16.88 27.4 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.262 -0.899 . . . . 0.0 109.836 -179.681 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 647' ' ' LYS . . . . . 0.495 ' O ' ' N ' ' B' ' 649' ' ' MET . 94.2 mttt -91.94 -175.19 4.04 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.137 -0.977 . . . . 0.0 109.804 -179.588 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 648' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 43.85 20.96 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.706 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 -179.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 649' ' ' MET . . . . . 0.495 ' N ' ' O ' ' B' ' 647' ' ' LYS . 28.1 ttm -95.09 140.98 29.27 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.534 -0.729 . . . . 0.0 109.633 -179.324 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 650' ' ' ASN . . . . . . . . . . . . . 43.0 t30 . . . . . 0 N--CA 1.49 1.534 0 CA-C-O 117.959 -1.019 . . . . 0.0 109.395 -179.966 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 301' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 . . . . . 0 N--CA 1.489 1.507 0 CA-C-O 121.22 0.533 . . . . 0.0 109.652 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 302' ' ' PHE . . . . . 0.517 ' CD2' ' SD ' ' A' ' 306' ' ' MET . 5.5 t80 -77.77 -43.56 30.38 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 179.318 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 303' ' ' CYS . . . . . . . . . . . . . 85.8 m -86.37 -47.12 9.63 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.546 -0.721 . . . . 0.0 109.147 179.069 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 2.1 p -53.49 -31.06 44.24 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.499 -0.751 . . . . 0.0 111.672 -178.462 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . 78.6 mttt -104.59 -16.34 15.05 Favored 'General case' 0 N--CA 1.508 2.437 0 O-C-N 120.766 -1.209 . . . . 0.0 110.203 179.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 306' ' ' MET . . . . . 0.517 ' SD ' ' CD2' ' A' ' 302' ' ' PHE . 38.7 mtp -74.61 -25.66 59.39 Favored 'General case' 0 C--N 1.299 -1.595 0 N-CA-C 106.513 -1.662 . . . . 0.0 106.513 176.676 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 307' ' ' ASN . . . . . 0.454 ' O ' ' C ' ' A' ' 308' ' ' GLN . 2.0 m-20 -82.74 -42.99 17.32 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 106.352 -1.721 . . . . 0.0 106.352 178.538 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 308' ' ' GLN . . . . . 0.524 ' O ' ' N ' ' A' ' 311' ' ' GLY . 6.4 tm0? -35.08 -39.14 0.1 Allowed 'General case' 0 N--CA 1.505 2.306 0 CA-C-O 121.394 0.616 . . . . 0.0 109.419 178.606 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 309' ' ' VAL . . . . . 0.671 HG21 ' O ' ' B' ' 624' ' ' MET . 38.0 t -45.98 -16.62 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.861 0 CA-C-O 121.857 0.836 . . . . 0.0 109.021 179.219 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 310' ' ' CYS . . . . . 0.523 ' N ' ' O ' ' A' ' 308' ' ' GLN . 8.9 m -89.58 19.29 4.68 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.553 -0.717 . . . . 0.0 109.113 179.046 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 311' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' A' ' 308' ' ' GLN . . . . . . . . 0 N--CA 1.491 2.306 0 N-CA-C 109.495 -1.442 . . . . 0.0 109.495 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 593' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.37 0 N-CA-C 109.046 -1.622 . . . . 0.0 109.046 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 594' ' ' SER . . . . . 0.47 ' C ' HD22 ' B' ' 595' ' ' LEU . 69.3 m -82.65 165.54 19.92 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.016 -1.284 . . . . 0.0 110.126 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 595' ' ' LEU . . . . . 0.767 HD22 ' N ' ' B' ' 595' ' ' LEU . 2.8 mm? -98.53 124.22 43.15 Favored 'General case' 0 C--N 1.298 -1.631 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 179.78 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 596' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -128.93 141.89 51.12 Favored 'General case' 0 N--CA 1.504 2.266 0 O-C-N 121.182 -0.949 . . . . 0.0 109.212 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 597' ' ' ARG . . . . . 0.62 ' H ' ' CB ' ' B' ' 600' ' ' GLU . 34.9 mtp180 -112.84 -124.01 0.28 Allowed 'General case' 0 N--CA 1.505 2.321 0 O-C-N 121.63 -0.669 . . . . 0.0 111.263 -177.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 598' ' ' CYS . . . . . 0.565 ' SG ' ' N ' ' B' ' 599' ' ' SER . 41.7 t -75.95 -109.88 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.256 -0.902 . . . . 0.0 111.074 -178.472 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 599' ' ' SER . . . . . 0.565 ' N ' ' SG ' ' B' ' 598' ' ' CYS . 29.1 t -44.38 -22.71 0.08 Allowed 'General case' 0 N--CA 1.499 1.977 0 CA-C-O 122.366 1.079 . . . . 0.0 108.914 -179.283 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 600' ' ' GLU . . . . . 0.62 ' CB ' ' H ' ' B' ' 597' ' ' ARG . 16.5 mp0 -45.48 -46.56 13.77 Favored 'General case' 0 C--N 1.297 -1.703 0 CA-C-O 122.829 1.299 . . . . 0.0 109.084 178.565 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 601' ' ' ILE . . . . . 0.541 ' O ' ' N ' ' B' ' 604' ' ' ARG . 2.0 mt -68.16 -30.33 47.55 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.295 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 -178.354 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 602' ' ' TRP . . . . . 0.405 ' C ' ' O ' ' B' ' 601' ' ' ILE . 33.1 t-105 -47.27 -39.56 14.75 Favored 'General case' 0 N--CA 1.494 1.733 0 N-CA-C 107.423 -1.325 . . . . 0.0 107.423 179.225 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 603' ' ' ASP . . . . . 0.431 ' O ' ' OG1' ' B' ' 606' ' ' THR . 29.4 m-20 -64.04 -42.04 97.21 Favored 'General case' 0 C--N 1.305 -1.359 0 N-CA-C 107.138 -1.431 . . . . 0.0 107.138 177.343 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 604' ' ' ARG . . . . . 0.541 ' N ' ' O ' ' B' ' 601' ' ' ILE . 8.6 tpm_? -57.11 -39.65 75.52 Favored 'General case' 0 N--CA 1.496 1.866 0 C-N-CA 119.458 -0.897 . . . . 0.0 108.772 178.487 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 605' ' ' ILE . . . . . . . . . . . . . 43.7 mt -71.04 -47.42 61.72 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.965 0 O-C-N 121.466 -0.771 . . . . 0.0 110.47 179.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 606' ' ' THR . . . . . 0.431 ' OG1' ' O ' ' B' ' 603' ' ' ASP . 21.3 p . . . . . 0 N--CA 1.495 1.808 0 O-C-N 121.104 -0.997 . . . . 0.0 110.267 -179.065 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 614' ' ' ILE . . . . . 0.565 HG22 ' N ' ' B' ' 615' ' ' ASP . 65.6 mt . . . . . 0 N--CA 1.493 1.725 0 CA-C-O 121.724 0.773 . . . . 0.0 110.376 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 615' ' ' ASP . . . . . 0.565 ' N ' HG22 ' B' ' 614' ' ' ILE . 80.5 m-20 -128.69 109.92 11.75 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 179.486 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 616' ' ' VAL . . . . . . . . . . . . . 4.2 p -78.51 -17.58 13.57 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.37 -0.832 . . . . 0.0 109.1 -179.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 617' ' ' ASP . . . . . 0.482 ' O ' ' SG ' ' B' ' 620' ' ' CYS . 3.9 m-20 -75.2 -38.79 60.6 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.401 -0.812 . . . . 0.0 110.342 -179.551 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 618' ' ' GLY . . . . . 0.434 ' O ' ' OE2' ' B' ' 622' ' ' GLU . . . -66.41 -32.67 82.54 Favored Glycine 0 N--CA 1.49 2.294 0 C-N-CA 119.506 -1.33 . . . . 0.0 109.81 -179.646 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 619' ' ' LEU . . . . . 0.543 HD13 HD21 ' B' ' 645' ' ' LEU . 0.6 OUTLIER -70.07 -27.09 64.35 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.077 -1.249 . . . . 0.0 108.37 179.683 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 620' ' ' CYS . . . . . 0.587 ' SG ' ' N ' ' B' ' 621' ' ' SER . 1.4 p -67.69 -48.71 65.83 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.333 -0.854 . . . . 0.0 110.672 -179.541 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 621' ' ' SER . . . . . 0.587 ' N ' ' SG ' ' B' ' 620' ' ' CYS . 29.9 t -82.97 -3.31 57.02 Favored 'General case' 0 N--CA 1.503 2.197 0 O-C-N 120.5 -1.375 . . . . 0.0 110.353 -179.243 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 622' ' ' GLU . . . . . 0.434 ' OE2' ' O ' ' B' ' 618' ' ' GLY . 0.3 OUTLIER -99.39 -40.27 7.97 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.022 -1.049 . . . . 0.0 108.392 177.433 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 623' ' ' LEU . . . . . . . . . . . . . 18.0 mt -86.43 -19.78 29.13 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.996 -1.065 . . . . 0.0 110.661 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 624' ' ' MET . . . . . 0.671 ' O ' HG21 ' A' ' 309' ' ' VAL . 76.3 mtp -76.73 -28.06 55.66 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 120.627 -1.296 . . . . 0.0 111.779 -177.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 625' ' ' ALA . . . . . 0.419 ' C ' ' N ' ' B' ' 627' ' ' ALA . . . -104.64 -41.15 5.77 Favored 'General case' 0 N--CA 1.505 2.298 0 O-C-N 120.617 -1.302 . . . . 0.0 109.343 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 626' ' ' LYS . . . . . 0.504 ' NZ ' ' OD1' ' B' ' 640' ' ' ASP . 53.0 mtmt -60.78 -14.61 22.55 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 106.512 -1.662 . . . . 0.0 106.512 177.598 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 627' ' ' ALA . . . . . 0.419 ' N ' ' C ' ' B' ' 625' ' ' ALA . . . -44.96 136.88 4.44 Favored 'General case' 0 N--CA 1.491 1.625 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.877 179.53 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 628' ' ' LYS . . . . . . . . . . . . . 80.6 tttt -101.85 92.46 4.83 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 107.311 -1.366 . . . . 0.0 107.311 178.337 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 629' ' ' CYS . . . . . . . . . . . . . 51.0 t -59.98 134.74 57.32 Favored 'General case' 0 N--CA 1.49 1.572 0 CA-C-O 122.557 1.17 . . . . 0.0 112.215 -177.516 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 630' ' ' SER . . . . . . . . . . . . . 6.8 t -141.96 161.04 38.96 Favored 'General case' 0 N--CA 1.492 1.674 0 N-CA-C 107.062 -1.459 . . . . 0.0 107.062 178.229 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 631' ' ' GLU . . . . . 0.615 ' H ' ' CD ' ' B' ' 631' ' ' GLU . 1.4 pm0 -66.44 -28.3 68.5 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.253 -1.529 . . . . 0.0 109.684 -179.32 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 632' ' ' ARG . . . . . 0.423 HH11 ' HG3' ' B' ' 632' ' ' ARG . 29.0 mtm-85 -74.04 -15.42 61.08 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.9 -1.125 . . . . 0.0 108.213 178.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 633' ' ' GLY . . . . . . . . . . . . . . . 133.62 -174.87 20.54 Favored Glycine 0 N--CA 1.497 2.724 0 N-CA-C 108.442 -1.863 . . . . 0.0 108.442 -179.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 634' ' ' VAL . . . . . . . . . . . . . 7.6 m -79.44 162.18 3.93 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 O-C-N 120.597 -1.531 . . . . 0.0 109.792 179.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 5.3 p -148.5 140.59 18.08 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 O-C-N 120.988 -1.07 . . . . 0.0 108.855 177.493 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 636' ' ' ILE . . . . . . . . . . . . . 18.1 mm -118.67 132.91 67.17 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.957 0 O-C-N 121.884 -0.51 . . . . 0.0 110.224 -178.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 637' ' ' ASN . . . . . 0.51 ' O ' ' N ' ' B' ' 639' ' ' GLU . 47.6 m-20 -83.95 134.32 34.66 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 107.9 -1.148 . . . . 0.0 107.9 178.12 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 638' ' ' ALA . . . . . 0.406 ' O ' ' CG ' ' B' ' 642' ' ' GLN . . . -46.54 -13.44 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.424 -0.797 . . . . 0.0 110.848 -178.204 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 639' ' ' GLU . . . . . 0.51 ' N ' ' O ' ' B' ' 637' ' ' ASN . 72.0 mt-10 -82.24 -20.93 36.67 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.913 -1.117 . . . . 0.0 110.61 -179.333 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 640' ' ' ASP . . . . . 0.504 ' OD1' ' NZ ' ' B' ' 626' ' ' LYS . 19.2 t0 -85.46 -58.34 2.71 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 120.457 -1.402 . . . . 0.0 107.881 178.121 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 641' ' ' VAL . . . . . 0.587 HG13 ' N ' ' B' ' 642' ' ' GLN . 7.8 p -50.12 -47.21 24.67 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 120.788 -1.195 . . . . 0.0 108.562 177.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 642' ' ' GLN . . . . . 0.587 ' N ' HG13 ' B' ' 641' ' ' VAL . 17.5 mm100 -57.65 -35.75 70.94 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.008 -1.058 . . . . 0.0 109.572 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 643' ' ' LEU . . . . . . . . . . . . . 61.1 mt -80.67 -23.31 39.72 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.176 -0.952 . . . . 0.0 109.001 178.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 644' ' ' ALA . . . . . . . . . . . . . . . -86.59 -48.16 8.58 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.823 -1.173 . . . . 0.0 108.881 178.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 645' ' ' LEU . . . . . 0.543 HD21 HD13 ' B' ' 619' ' ' LEU . 46.9 mt -66.68 -69.73 0.29 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.858 -1.151 . . . . 0.0 109.523 179.42 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 646' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -46.61 -13.57 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.144 -0.972 . . . . 0.0 110.917 -178.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 647' ' ' LYS . . . . . 0.507 ' N ' ' O ' ' B' ' 645' ' ' LEU . 54.6 tttp -99.69 -11.66 20.69 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 120.952 -1.092 . . . . 0.0 110.109 -179.6 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 648' ' ' HIS . . . . . . . . . . . . . 51.4 m-70 -111.17 12.78 21.84 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.344 -0.848 . . . . 0.0 109.52 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 649' ' ' MET . . . . . 0.431 ' O ' ' ND2' ' B' ' 650' ' ' ASN . 12.7 mtt -97.03 125.76 41.7 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.249 -0.907 . . . . 0.0 109.402 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 650' ' ' ASN . . . . . 0.431 ' ND2' ' O ' ' B' ' 649' ' ' MET . 35.4 m120 . . . . . 0 N--CA 1.491 1.616 0 CA-C-O 118.006 -0.997 . . . . 0.0 109.447 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 301' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 . . . . . 0 N--CA 1.493 1.714 0 N-CA-C 106.414 -1.698 . . . . 0.0 106.414 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 302' ' ' PHE . . . . . . . . . . . . . 38.6 t80 -75.18 -63.55 1.25 Allowed 'General case' 0 C--N 1.304 -1.385 0 CA-C-N 114.276 -1.329 . . . . 0.0 109.578 178.362 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 303' ' ' CYS . . . . . . . . . . . . . 66.3 m -70.96 -45.01 64.85 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.081 -1.012 . . . . 0.0 109.543 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 42.2 t -53.97 -26.33 25.28 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.429 -0.795 . . . . 0.0 111.587 -178.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . 24.6 mtpp -97.13 -13.68 22.0 Favored 'General case' 0 N--CA 1.507 2.389 0 O-C-N 120.828 -1.17 . . . . 0.0 108.317 178.282 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 306' ' ' MET . . . . . . . . . . . . . 6.0 mmt -72.71 -26.07 61.46 Favored 'General case' 0 C--N 1.295 -1.766 0 N-CA-C 107.327 -1.361 . . . . 0.0 107.327 177.232 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 307' ' ' ASN . . . . . 0.424 ' O ' ' C ' ' A' ' 308' ' ' GLN . 30.5 t30 -84.65 -39.2 18.91 Favored 'General case' 0 N--CA 1.492 1.675 0 N-CA-C 106.673 -1.603 . . . . 0.0 106.673 179.521 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 308' ' ' GLN . . . . . 0.543 ' O ' ' N ' ' A' ' 310' ' ' CYS . 43.6 mm-40 -37.17 -40.14 0.3 Allowed 'General case' 0 N--CA 1.506 2.336 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 178.444 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 309' ' ' VAL . . . . . 0.414 ' H ' HG23 ' A' ' 309' ' ' VAL . 11.0 t -46.82 -12.66 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.874 0 CA-C-O 121.361 0.601 . . . . 0.0 109.729 179.283 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 310' ' ' CYS . . . . . 0.543 ' N ' ' O ' ' A' ' 308' ' ' GLN . 3.1 t -76.61 -59.9 2.58 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.417 -0.802 . . . . 0.0 109.314 179.476 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 311' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.453 0 N-CA-C 109.547 -1.421 . . . . 0.0 109.547 179.945 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 593' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.402 0 N-CA-C 109.421 -1.471 . . . . 0.0 109.421 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 594' ' ' SER . . . . . . . . . . . . . 62.8 m -69.62 166.71 18.47 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.319 -1.107 . . . . 0.0 110.015 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 595' ' ' LEU . . . . . 0.548 HD12 ' N ' ' B' ' 595' ' ' LEU . 8.2 mp -90.19 118.27 29.58 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 179.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 596' ' ' LEU . . . . . 0.531 HD12 ' H ' ' B' ' 596' ' ' LEU . 0.0 OUTLIER -128.06 146.55 50.64 Favored 'General case' 0 N--CA 1.501 2.087 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 -179.89 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 597' ' ' ARG . . . . . 0.414 HH11 ' CG ' ' B' ' 597' ' ' ARG . 0.0 OUTLIER -78.92 -169.22 1.71 Allowed 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.361 -0.837 . . . . 0.0 109.847 -179.507 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 598' ' ' CYS . . . . . 0.519 ' O ' ' N ' ' B' ' 600' ' ' GLU . 1.8 p -65.41 -92.36 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.516 -0.74 . . . . 0.0 110.701 -178.688 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 14.2 t -45.04 -18.04 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.861 0 CA-C-O 121.957 0.884 . . . . 0.0 109.439 -179.404 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 600' ' ' GLU . . . . . 0.519 ' N ' ' O ' ' B' ' 598' ' ' CYS . 6.7 tm-20 -48.01 -41.63 26.03 Favored 'General case' 0 C--N 1.302 -1.472 0 CA-C-O 122.675 1.226 . . . . 0.0 108.564 179.333 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 601' ' ' ILE . . . . . 0.535 ' O ' ' N ' ' B' ' 604' ' ' ARG . 1.0 OUTLIER -66.34 -35.78 75.77 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.083 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 -178.269 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 602' ' ' TRP . . . . . 0.403 ' C ' ' O ' ' B' ' 601' ' ' ILE . 15.5 t-105 -44.99 -40.55 6.56 Favored 'General case' 0 N--CA 1.494 1.75 0 N-CA-C 108.061 -1.089 . . . . 0.0 108.061 179.81 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 603' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -65.13 -41.88 94.41 Favored 'General case' 0 C--N 1.304 -1.411 0 N-CA-C 107.721 -1.215 . . . . 0.0 107.721 177.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 604' ' ' ARG . . . . . 0.535 ' N ' ' O ' ' B' ' 601' ' ' ILE . 15.7 tpt180 -58.6 -33.48 70.06 Favored 'General case' 0 N--CA 1.497 1.921 0 CA-C-O 121.844 0.83 . . . . 0.0 109.464 179.108 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 605' ' ' ILE . . . . . . . . . . . . . 85.7 mt -80.05 -48.33 20.44 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.784 0 O-C-N 121.792 -0.567 . . . . 0.0 111.109 -179.381 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 606' ' ' THR . . . . . . . . . . . . . 35.1 p . . . . . 0 C--N 1.3 -1.583 0 O-C-N 120.518 -1.364 . . . . 0.0 110.611 -178.825 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 614' ' ' ILE . . . . . 0.444 HG22 ' N ' ' B' ' 615' ' ' ASP . 16.8 mm . . . . . 0 N--CA 1.489 1.495 0 CA-C-O 121.339 0.59 . . . . 0.0 109.765 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 615' ' ' ASP . . . . . 0.444 ' N ' HG22 ' B' ' 614' ' ' ILE . 24.4 t0 -130.94 106.58 8.51 Favored 'General case' 0 N--CA 1.491 1.614 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 179.165 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 616' ' ' VAL . . . . . 0.442 HG22 ' H ' ' B' ' 616' ' ' VAL . 13.1 m -80.57 -16.97 12.54 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 CA-C-O 121.627 0.727 . . . . 0.0 109.356 -179.768 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 617' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -68.5 -43.97 75.72 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.29 -0.881 . . . . 0.0 110.217 -179.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 618' ' ' GLY . . . . . 0.436 ' O ' ' OE2' ' B' ' 622' ' ' GLU . . . -65.46 -37.64 93.98 Favored Glycine 0 N--CA 1.489 2.225 0 N-CA-C 110.003 -1.239 . . . . 0.0 110.003 -179.493 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 619' ' ' LEU . . . . . . . . . . . . . 4.4 mt -64.09 -22.42 66.93 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.104 -1.233 . . . . 0.0 108.064 179.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 620' ' ' CYS . . . . . . . . . . . . . 11.3 t -69.51 -53.58 18.41 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.558 -0.714 . . . . 0.0 110.849 -179.508 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 34.8 t -82.46 -1.59 50.7 Favored 'General case' 0 N--CA 1.502 2.128 0 O-C-N 120.562 -1.336 . . . . 0.0 110.531 -179.167 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 622' ' ' GLU . . . . . 0.436 ' OE2' ' O ' ' B' ' 618' ' ' GLY . 0.4 OUTLIER -99.14 -47.72 5.11 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.045 -1.034 . . . . 0.0 109.107 178.128 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 623' ' ' LEU . . . . . 0.478 HD12 ' N ' ' B' ' 623' ' ' LEU . 9.1 mp -86.24 -19.71 29.56 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 120.85 -1.156 . . . . 0.0 110.706 -179.204 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 624' ' ' MET . . . . . . . . . . . . . 24.5 ttt -71.46 -28.23 63.81 Favored 'General case' 0 N--CA 1.502 2.133 0 O-C-N 120.763 -1.211 . . . . 0.0 111.716 -178.437 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 625' ' ' ALA . . . . . . . . . . . . . . . -103.73 -3.39 25.08 Favored 'General case' 0 N--CA 1.506 2.361 0 O-C-N 120.746 -1.221 . . . . 0.0 109.288 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 626' ' ' LYS . . . . . 0.438 ' O ' ' NZ ' ' B' ' 628' ' ' LYS . 32.0 mmtm -96.38 -15.32 21.9 Favored 'General case' 0 N--CA 1.494 1.734 0 N-CA-C 106.879 -1.526 . . . . 0.0 106.879 176.524 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 627' ' ' ALA . . . . . . . . . . . . . . . -48.48 145.95 3.2 Favored 'General case' 0 N--CA 1.493 1.691 0 CA-C-O 121.478 0.656 . . . . 0.0 110.954 -179.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 628' ' ' LYS . . . . . 0.438 ' NZ ' ' O ' ' B' ' 626' ' ' LYS . 40.5 mmtm -123.94 89.79 3.15 Favored 'General case' 0 N--CA 1.497 1.925 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 179.422 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 629' ' ' CYS . . . . . . . . . . . . . 18.0 t -48.83 118.31 2.51 Favored 'General case' 0 N--CA 1.494 1.741 0 CA-C-O 122.249 1.024 . . . . 0.0 111.12 -178.595 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 630' ' ' SER . . . . . . . . . . . . . 13.1 t -142.93 161.86 37.0 Favored 'General case' 0 N--CA 1.495 1.811 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 178.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 631' ' ' GLU . . . . . 0.507 ' C ' ' H ' ' B' ' 633' ' ' GLY . 63.1 tt0 -63.35 -29.75 71.0 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.546 -1.346 . . . . 0.0 109.202 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 16.4 mmt180 -79.75 32.78 0.25 Allowed 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 107.548 -1.278 . . . . 0.0 107.548 178.041 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 633' ' ' GLY . . . . . 0.507 ' H ' ' C ' ' B' ' 631' ' ' GLU . . . 74.77 -171.52 53.49 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 108.296 -1.922 . . . . 0.0 108.296 -178.72 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 634' ' ' VAL . . . . . 0.433 ' O ' HG23 ' B' ' 634' ' ' VAL . 30.8 m -77.47 140.62 16.77 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 O-C-N 120.796 -1.414 . . . . 0.0 109.689 179.582 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 18.3 m -127.91 133.72 66.74 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.384 0 O-C-N 121.097 -1.002 . . . . 0.0 108.766 178.352 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 636' ' ' ILE . . . . . 0.45 ' O ' HD12 ' B' ' 596' ' ' LEU . 4.2 mt -125.32 156.46 34.49 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.877 0 CA-C-O 121.339 0.59 . . . . 0.0 109.953 -178.373 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 637' ' ' ASN . . . . . 0.527 ' O ' ' N ' ' B' ' 639' ' ' GLU . 4.1 m-80 -89.58 121.92 32.24 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.19 -0.944 . . . . 0.0 109.033 179.207 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -47.6 -10.4 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.617 -0.677 . . . . 0.0 110.242 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 639' ' ' GLU . . . . . 0.527 ' N ' ' O ' ' B' ' 637' ' ' ASN . 41.0 tt0 -77.11 -20.31 55.83 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.9 -1.125 . . . . 0.0 109.685 179.623 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 640' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -87.97 -44.94 10.64 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 120.564 -1.335 . . . . 0.0 108.598 177.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 641' ' ' VAL . . . . . 0.446 ' H ' HG13 ' B' ' 641' ' ' VAL . 1.8 m -65.22 -32.76 59.67 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 121.031 -1.043 . . . . 0.0 108.918 178.58 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 642' ' ' GLN . . . . . . . . . . . . . 21.6 tp60 -72.61 -32.97 66.36 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.209 -0.932 . . . . 0.0 109.21 179.506 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 643' ' ' LEU . . . . . . . . . . . . . 89.2 mt -83.97 -21.94 31.6 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.212 -0.93 . . . . 0.0 108.761 178.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 644' ' ' ALA . . . . . . . . . . . . . . . -87.74 -36.26 17.45 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.085 -1.01 . . . . 0.0 108.791 178.41 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 645' ' ' LEU . . . . . . . . . . . . . 18.8 mt -77.59 -24.46 49.68 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.293 -0.88 . . . . 0.0 109.2 179.079 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 646' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -91.95 -8.15 47.04 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.912 -1.118 . . . . 0.0 109.882 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 647' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -104.79 -10.07 17.65 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.359 -0.838 . . . . 0.0 109.401 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 648' ' ' HIS . . . . . . . . . . . . . 23.3 m-70 -112.33 7.21 19.19 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.508 -0.745 . . . . 0.0 109.461 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 649' ' ' MET . . . . . . . . . . . . . 25.5 mmm -96.19 103.09 14.97 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.238 -0.914 . . . . 0.0 109.227 179.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 650' ' ' ASN . . . . . . . . . . . . . 14.0 m120 . . . . . 0 N--CA 1.489 1.509 0 CA-C-O 118.087 -0.959 . . . . 0.0 109.471 179.955 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 301' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 . . . . . 0 N--CA 1.489 1.508 0 CA-C-O 121.49 0.662 . . . . 0.0 109.276 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 302' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -63.36 -62.65 1.54 Allowed 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 303' ' ' CYS . . . . . . . . . . . . . 78.8 m -80.64 -49.38 11.33 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.429 -0.794 . . . . 0.0 110.135 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 9.2 p -48.09 -25.96 1.65 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.402 -0.811 . . . . 0.0 110.807 -178.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . 23.9 mtpp -104.2 -14.7 15.74 Favored 'General case' 0 N--CA 1.504 2.235 0 O-C-N 121.04 -1.037 . . . . 0.0 108.773 178.556 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 306' ' ' MET . . . . . . . . . . . . . 26.7 tpp -72.46 -25.64 61.52 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 107.013 -1.477 . . . . 0.0 107.013 176.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 307' ' ' ASN . . . . . 0.465 ' O ' ' N ' ' A' ' 310' ' ' CYS . 30.2 t30 -85.87 -41.46 14.95 Favored 'General case' 0 N--CA 1.494 1.768 0 N-CA-C 106.439 -1.689 . . . . 0.0 106.439 178.333 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 308' ' ' GLN . . . . . 0.529 ' O ' ' N ' ' A' ' 310' ' ' CYS . 42.8 tt0 -35.19 -37.11 0.07 Allowed 'General case' 0 N--CA 1.505 2.286 0 CA-C-O 121.458 0.647 . . . . 0.0 109.416 178.806 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 309' ' ' VAL . . . . . 0.417 ' N ' ' O ' ' A' ' 307' ' ' ASN . 21.6 t -47.8 -13.78 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.879 0 O-C-N 121.346 -0.847 . . . . 0.0 109.051 178.748 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 310' ' ' CYS . . . . . 0.529 ' N ' ' O ' ' A' ' 308' ' ' GLN . 1.8 m -84.24 -17.06 41.02 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.482 -0.761 . . . . 0.0 109.242 179.72 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 311' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.229 0 N-CA-C 109.4 -1.48 . . . . 0.0 109.4 179.767 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 593' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.413 0 N-CA-C 109.325 -1.51 . . . . 0.0 109.325 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 594' ' ' SER . . . . . 0.431 ' C ' HD22 ' B' ' 595' ' ' LEU . 67.6 m -79.93 165.94 22.14 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.146 -1.208 . . . . 0.0 110.262 -179.693 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 595' ' ' LEU . . . . . 0.624 HD22 ' N ' ' B' ' 595' ' ' LEU . 3.7 mm? -96.15 126.9 41.69 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 179.588 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 596' ' ' LEU . . . . . . . . . . . . . 1.6 mp -129.27 150.58 50.59 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.25 -0.906 . . . . 0.0 109.781 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 597' ' ' ARG . . . . . 0.524 HH11 ' CG ' ' B' ' 597' ' ' ARG . 0.0 OUTLIER -94.26 -161.25 0.84 Allowed 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.398 -0.814 . . . . 0.0 110.27 -178.896 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 598' ' ' CYS . . . . . . . . . . . . . 2.7 p -71.1 -84.95 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.398 -0.813 . . . . 0.0 110.176 -179.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 599' ' ' SER . . . . . 0.459 ' O ' ' N ' ' B' ' 602' ' ' TRP . 1.1 p -45.6 -29.35 1.18 Allowed 'General case' 0 N--CA 1.496 1.874 0 CA-C-O 122.342 1.068 . . . . 0.0 108.778 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 600' ' ' GLU . . . . . . . . . . . . . 25.1 tp10 -47.78 -38.05 14.81 Favored 'General case' 0 C--N 1.303 -1.431 0 CA-C-O 122.548 1.166 . . . . 0.0 108.342 179.295 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 601' ' ' ILE . . . . . 0.592 ' O ' ' N ' ' B' ' 604' ' ' ARG . 1.3 mp -68.86 -34.6 65.27 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.109 0 N-CA-C 107.601 -1.259 . . . . 0.0 107.601 -178.722 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 602' ' ' TRP . . . . . 0.459 ' N ' ' O ' ' B' ' 599' ' ' SER . 54.4 t-105 -44.15 -36.82 2.8 Favored 'General case' 0 N--CA 1.494 1.754 0 N-CA-C 107.397 -1.335 . . . . 0.0 107.397 179.481 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 603' ' ' ASP . . . . . 0.435 ' O ' ' OG1' ' B' ' 606' ' ' THR . 27.5 t70 -68.66 -42.85 77.33 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 107.633 -1.247 . . . . 0.0 107.633 177.355 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 604' ' ' ARG . . . . . 0.592 ' N ' ' O ' ' B' ' 601' ' ' ILE . 10.8 mmt-85 -56.56 -39.9 74.25 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.151 -0.968 . . . . 0.0 109.223 178.774 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 605' ' ' ILE . . . . . . . . . . . . . 10.4 mm -66.07 -47.61 84.37 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.075 0 O-C-N 121.357 -0.84 . . . . 0.0 110.345 179.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 606' ' ' THR . . . . . 0.435 ' OG1' ' O ' ' B' ' 603' ' ' ASP . 37.8 p . . . . . 0 N--CA 1.494 1.748 0 O-C-N 120.896 -1.127 . . . . 0.0 109.971 -179.33 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 614' ' ' ILE . . . . . 0.668 HG22 ' N ' ' B' ' 615' ' ' ASP . 68.2 mt . . . . . 0 N--CA 1.499 2.018 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 615' ' ' ASP . . . . . 0.668 ' N ' HG22 ' B' ' 614' ' ' ILE . 69.7 m-20 -122.08 132.84 54.7 Favored 'General case' 0 N--CA 1.498 1.945 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 179.462 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 616' ' ' VAL . . . . . . . . . . . . . 14.3 m -77.89 -17.17 14.03 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 O-C-N 121.39 -0.819 . . . . 0.0 109.862 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 617' ' ' ASP . . . . . 0.425 ' OD1' ' N ' ' B' ' 618' ' ' GLY . 2.0 p30 -75.44 -31.86 60.47 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.168 -0.957 . . . . 0.0 110.107 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 618' ' ' GLY . . . . . 0.425 ' N ' ' OD1' ' B' ' 617' ' ' ASP . . . -68.33 -41.05 86.78 Favored Glycine 0 N--CA 1.49 2.298 0 C-N-CA 119.723 -1.227 . . . . 0.0 110.375 -179.295 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 619' ' ' LEU . . . . . 0.855 HD22 ' H ' ' B' ' 619' ' ' LEU . 1.5 mm? -70.11 -22.84 62.98 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 120.716 -1.461 . . . . 0.0 108.067 179.495 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 620' ' ' CYS . . . . . . . . . . . . . 96.4 m -69.29 -53.47 19.54 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.227 -0.921 . . . . 0.0 110.362 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 31.4 t -83.5 -1.35 53.48 Favored 'General case' 0 N--CA 1.502 2.151 0 O-C-N 120.522 -1.361 . . . . 0.0 110.806 -179.115 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 622' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -100.12 -46.66 5.24 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 120.966 -1.084 . . . . 0.0 109.76 178.166 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 623' ' ' LEU . . . . . . . . . . . . . 9.4 mp -85.55 -17.45 36.28 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 120.962 -1.086 . . . . 0.0 110.204 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 624' ' ' MET . . . . . . . . . . . . . 12.9 ttt -68.6 -29.25 67.74 Favored 'General case' 0 N--CA 1.499 2.025 0 O-C-N 120.7 -1.25 . . . . 0.0 111.293 -178.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 625' ' ' ALA . . . . . . . . . . . . . . . -105.23 -30.92 9.36 Favored 'General case' 0 N--CA 1.504 2.256 0 O-C-N 120.739 -1.226 . . . . 0.0 109.369 179.6 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 626' ' ' LYS . . . . . . . . . . . . . 66.7 mmtt -63.85 -14.5 53.66 Favored 'General case' 0 C--N 1.299 -1.614 0 N-CA-C 106.124 -1.806 . . . . 0.0 106.124 176.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 627' ' ' ALA . . . . . . . . . . . . . . . -45.86 122.41 3.75 Favored 'General case' 0 N--CA 1.492 1.641 0 CA-C-N 115.215 -0.902 . . . . 0.0 111.956 -179.504 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 628' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -94.98 88.4 5.24 Favored 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 106.325 -1.731 . . . . 0.0 106.325 176.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 629' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -58.67 138.92 56.71 Favored 'General case' 0 C--N 1.299 -1.625 0 CA-C-O 122.431 1.11 . . . . 0.0 112.334 -176.577 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 630' ' ' SER . . . . . . . . . . . . . 3.6 t -142.1 162.69 34.83 Favored 'General case' 0 N--CA 1.493 1.725 0 N-CA-C 107.347 -1.353 . . . . 0.0 107.347 178.274 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 631' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -69.09 -34.4 75.06 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.444 -1.41 . . . . 0.0 110.518 -178.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 632' ' ' ARG . . . . . 0.572 ' CG ' HH11 ' B' ' 632' ' ' ARG . 3.1 mtt-85 -70.9 -17.27 62.71 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.855 -1.153 . . . . 0.0 108.856 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 633' ' ' GLY . . . . . . . . . . . . . . . 143.82 179.9 20.71 Favored Glycine 0 N--CA 1.496 2.633 0 N-CA-C 108.722 -1.751 . . . . 0.0 108.722 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 634' ' ' VAL . . . . . 0.468 HG22 ' N ' ' B' ' 635' ' ' VAL . 3.2 p -79.33 160.42 4.35 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.39 0 O-C-N 120.685 -1.479 . . . . 0.0 110.015 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 635' ' ' VAL . . . . . 0.468 ' N ' HG22 ' B' ' 634' ' ' VAL . 19.4 m -150.5 143.56 17.18 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 N-CA-C 107.929 -1.138 . . . . 0.0 107.929 177.722 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 636' ' ' ILE . . . . . . . . . . . . . 80.8 mt -130.99 147.54 33.07 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.051 0 O-C-N 121.25 -0.906 . . . . 0.0 109.959 -178.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 637' ' ' ASN . . . . . 0.507 ' ND2' ' OE1' ' B' ' 639' ' ' GLU . 59.9 t30 -88.83 136.83 32.8 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.247 -0.908 . . . . 0.0 109.054 179.429 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -48.59 -10.6 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.472 -0.768 . . . . 0.0 110.992 -179.326 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 639' ' ' GLU . . . . . 0.528 ' N ' ' OE1' ' B' ' 639' ' ' GLU . 11.5 mp0 -80.83 -19.81 43.81 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.9 -1.125 . . . . 0.0 110.663 -179.645 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 640' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -86.81 -44.64 11.58 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 120.311 -1.493 . . . . 0.0 108.722 178.292 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 641' ' ' VAL . . . . . 0.424 ' H ' HG12 ' B' ' 641' ' ' VAL . 0.8 OUTLIER -66.67 -44.52 89.64 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 120.876 -1.14 . . . . 0.0 108.45 178.34 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 642' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -60.51 -35.81 76.86 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.119 -0.988 . . . . 0.0 109.752 -179.471 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 643' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -83.23 -18.85 37.79 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.024 -1.048 . . . . 0.0 108.832 178.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 644' ' ' ALA . . . . . . . . . . . . . . . -86.65 -38.98 16.53 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 120.814 -1.179 . . . . 0.0 109.163 178.535 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 645' ' ' LEU . . . . . 0.519 ' O ' ' N ' ' B' ' 647' ' ' LYS . 44.4 mt -77.61 -68.02 0.66 Allowed 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.576 -1.328 . . . . 0.0 108.805 178.732 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 646' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -45.43 -15.22 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.171 -0.955 . . . . 0.0 110.508 -179.196 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 647' ' ' LYS . . . . . 0.519 ' N ' ' O ' ' B' ' 645' ' ' LEU . 77.4 tttt -94.38 -11.88 29.03 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.003 -1.061 . . . . 0.0 109.753 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 648' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -109.84 18.49 20.1 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.474 -0.766 . . . . 0.0 109.424 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 649' ' ' MET . . . . . . . . . . . . . 6.5 mmt -96.56 99.73 11.35 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.284 -0.885 . . . . 0.0 109.227 179.556 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 650' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 . . . . . 0 N--CA 1.49 1.53 0 CA-C-O 117.958 -1.02 . . . . 0.0 109.506 -179.933 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 301' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 . . . . . 0 N--CA 1.494 1.748 0 N-CA-C 107.209 -1.404 . . . . 0.0 107.209 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 302' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -75.47 -56.41 4.73 Favored 'General case' 0 C--N 1.303 -1.447 0 CA-C-N 114.821 -1.082 . . . . 0.0 109.314 178.55 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 303' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -76.85 -37.88 54.77 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.125 -0.985 . . . . 0.0 109.28 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 11.0 t -56.48 -30.97 63.56 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.471 -0.768 . . . . 0.0 110.793 -179.072 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . 54.0 mttp -95.14 -15.37 23.39 Favored 'General case' 0 N--CA 1.503 2.196 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 178.305 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 306' ' ' MET . . . . . . . . . . . . . 24.8 ttm -73.08 -22.8 60.52 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 107.347 -1.353 . . . . 0.0 107.347 177.202 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 307' ' ' ASN . . . . . 0.439 ' O ' ' N ' ' A' ' 310' ' ' CYS . 2.6 t30 -83.94 -38.24 21.29 Favored 'General case' 0 N--CA 1.491 1.591 0 N-CA-C 106.195 -1.78 . . . . 0.0 106.195 178.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 308' ' ' GLN . . . . . 0.529 ' O ' ' N ' ' A' ' 310' ' ' CYS . 70.8 tp60 -38.09 -44.2 0.81 Allowed 'General case' 0 N--CA 1.503 2.194 0 CA-C-N 115.791 -0.641 . . . . 0.0 109.329 178.468 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 309' ' ' VAL . . . . . 0.43 ' H ' HG23 ' A' ' 309' ' ' VAL . 10.8 t -45.75 -16.22 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.499 1.989 0 CA-C-O 122.024 0.916 . . . . 0.0 109.383 179.372 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 310' ' ' CYS . . . . . 0.529 ' N ' ' O ' ' A' ' 308' ' ' GLN . 63.1 m -94.1 -37.45 11.6 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 179.287 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 311' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 308' ' ' GLN . . . . . . . . 0 N--CA 1.491 2.33 0 N-CA-C 109.676 -1.37 . . . . 0.0 109.676 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 593' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.203 0 N-CA-C 109.504 -1.438 . . . . 0.0 109.504 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 594' ' ' SER . . . . . 0.427 ' C ' HD22 ' B' ' 595' ' ' LEU . 11.5 p -76.64 165.32 24.92 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.224 -1.162 . . . . 0.0 110.17 -179.743 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 595' ' ' LEU . . . . . 0.746 HD22 ' N ' ' B' ' 595' ' ' LEU . 2.9 mm? -94.85 121.1 36.11 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 179.711 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 596' ' ' LEU . . . . . 0.533 HD21 HH21 ' B' ' 604' ' ' ARG . 0.0 OUTLIER -128.17 153.53 46.78 Favored 'General case' 0 N--CA 1.507 2.388 0 O-C-N 121.292 -0.88 . . . . 0.0 109.459 -179.804 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 597' ' ' ARG . . . . . 0.751 HH21 ' H ' ' B' ' 634' ' ' VAL . 0.0 OUTLIER -88.03 -144.7 0.14 Allowed 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.339 -0.851 . . . . 0.0 110.186 -179.472 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 598' ' ' CYS . . . . . 0.478 ' O ' ' N ' ' B' ' 600' ' ' GLU . 1.8 p -88.85 -87.19 0.17 Allowed 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.201 -0.937 . . . . 0.0 110.399 -178.659 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 599' ' ' SER . . . . . 0.45 ' O ' ' N ' ' B' ' 602' ' ' TRP . 29.2 t -45.42 -21.57 0.1 Allowed 'General case' 0 N--CA 1.498 1.934 0 CA-C-O 122.187 0.994 . . . . 0.0 108.758 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 600' ' ' GLU . . . . . 0.478 ' N ' ' O ' ' B' ' 598' ' ' CYS . 5.4 tm-20 -45.9 -42.59 12.88 Favored 'General case' 0 C--N 1.303 -1.442 0 CA-C-O 122.958 1.361 . . . . 0.0 108.49 178.761 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 601' ' ' ILE . . . . . 0.565 ' O ' ' N ' ' B' ' 604' ' ' ARG . 1.4 mp -68.69 -32.38 54.74 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.105 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 -178.301 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 602' ' ' TRP . . . . . 0.45 ' N ' ' O ' ' B' ' 599' ' ' SER . 60.4 t-105 -45.89 -37.28 6.13 Favored 'General case' 0 N--CA 1.495 1.825 0 N-CA-C 107.325 -1.361 . . . . 0.0 107.325 179.274 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 603' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -68.84 -41.58 78.3 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 107.564 -1.273 . . . . 0.0 107.564 177.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 604' ' ' ARG . . . . . 0.565 ' N ' ' O ' ' B' ' 601' ' ' ILE . 28.0 mmt180 -57.58 -40.41 78.94 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.326 -0.859 . . . . 0.0 109.12 178.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 605' ' ' ILE . . . . . . . . . . . . . 31.1 mt -68.92 -48.34 70.95 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 121.358 -0.839 . . . . 0.0 110.522 179.377 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 606' ' ' THR . . . . . . . . . . . . . 25.0 p . . . . . 0 N--CA 1.491 1.621 0 O-C-N 120.764 -1.21 . . . . 0.0 109.994 -179.246 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 614' ' ' ILE . . . . . . . . . . . . . 19.5 tt . . . . . 0 N--CA 1.497 1.881 0 N-CA-C 109.692 -0.485 . . . . 0.0 109.692 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 615' ' ' ASP . . . . . . . . . . . . . 13.3 t0 64.59 83.73 0.16 Allowed 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.272 -0.893 . . . . 0.0 109.237 -179.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 616' ' ' VAL . . . . . 0.408 ' O ' ' SG ' ' B' ' 620' ' ' CYS . 20.2 t -80.86 -18.36 11.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.537 -0.727 . . . . 0.0 109.61 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 617' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -74.61 -37.91 62.72 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.204 -0.935 . . . . 0.0 110.087 -179.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 618' ' ' GLY . . . . . . . . . . . . . . . -70.63 -46.55 46.44 Favored Glycine 0 N--CA 1.49 2.262 0 C-N-CA 119.773 -1.203 . . . . 0.0 110.114 -179.587 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 619' ' ' LEU . . . . . 0.436 HD23 ' N ' ' B' ' 620' ' ' CYS . 0.0 OUTLIER -65.04 -19.38 65.97 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.043 -1.269 . . . . 0.0 108.526 -179.555 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 620' ' ' CYS . . . . . 0.436 ' N ' HD23 ' B' ' 619' ' ' LEU . 34.4 m -71.4 -44.41 64.98 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.942 -1.099 . . . . 0.0 109.234 179.372 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 36.1 t -82.42 -0.34 45.68 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.068 -1.02 . . . . 0.0 108.746 179.207 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 622' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -98.24 -45.35 6.22 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.482 -0.761 . . . . 0.0 109.185 178.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 623' ' ' LEU . . . . . . . . . . . . . 10.6 mp -86.04 -27.17 24.94 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 120.606 -1.309 . . . . 0.0 109.595 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 624' ' ' MET . . . . . . . . . . . . . 21.0 ttt -71.53 -32.24 67.94 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.285 -0.884 . . . . 0.0 112.514 -177.145 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 625' ' ' ALA . . . . . . . . . . . . . . . -101.88 -8.07 21.92 Favored 'General case' 0 N--CA 1.508 2.454 0 O-C-N 120.554 -1.341 . . . . 0.0 110.203 -179.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 626' ' ' LYS . . . . . . . . . . . . . 53.7 mttm -85.96 -4.64 59.21 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 105.871 -1.9 . . . . 0.0 105.871 176.148 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 627' ' ' ALA . . . . . . . . . . . . . . . -43.48 139.78 1.95 Allowed 'General case' 0 N--CA 1.489 1.515 0 CA-C-N 114.985 -1.007 . . . . 0.0 111.455 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 628' ' ' LYS . . . . . . . . . . . . . 50.3 tttp -113.88 92.12 3.87 Favored 'General case' 0 N--CA 1.497 1.876 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 178.52 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 629' ' ' CYS . . . . . . . . . . . . . 88.8 m -54.18 116.52 2.64 Favored 'General case' 0 N--CA 1.493 1.684 0 CA-C-O 122.353 1.073 . . . . 0.0 111.616 -178.138 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 630' ' ' SER . . . . . . . . . . . . . 40.1 t -142.84 159.87 41.41 Favored 'General case' 0 N--CA 1.493 1.721 0 N-CA-C 107.902 -1.147 . . . . 0.0 107.902 178.628 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 631' ' ' GLU . . . . . 0.515 ' C ' ' H ' ' B' ' 633' ' ' GLY . 6.9 pt-20 -63.86 -22.99 67.18 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.44 -1.413 . . . . 0.0 109.223 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 52.4 mtp180 -79.29 34.39 0.25 Allowed 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 177.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 633' ' ' GLY . . . . . 0.515 ' H ' ' C ' ' B' ' 631' ' ' GLU . . . 70.74 -170.35 46.56 Favored Glycine 0 N--CA 1.49 2.283 0 N-CA-C 107.487 -2.245 . . . . 0.0 107.487 -178.298 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 634' ' ' VAL . . . . . 0.751 ' H ' HH21 ' B' ' 597' ' ' ARG . 54.8 t -77.4 142.22 14.52 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.438 0 O-C-N 120.399 -1.648 . . . . 0.0 109.052 179.427 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 26.0 m -137.38 139.69 43.25 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.04 0 O-C-N 121.114 -0.991 . . . . 0.0 109.425 179.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 636' ' ' ILE . . . . . 0.465 ' O ' HD12 ' B' ' 596' ' ' LEU . 88.8 mt -128.7 152.9 37.49 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.022 0 O-C-N 121.62 -0.675 . . . . 0.0 109.362 -179.571 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 637' ' ' ASN . . . . . 0.67 HD22 ' N ' ' B' ' 637' ' ' ASN . 1.1 m120 -85.02 124.49 31.77 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.005 -1.059 . . . . 0.0 109.013 179.398 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 638' ' ' ALA . . . . . 0.417 ' O ' ' OE1' ' B' ' 642' ' ' GLN . . . -46.97 -11.82 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.794 -0.566 . . . . 0.0 110.647 -179.344 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 639' ' ' GLU . . . . . 0.508 ' N ' ' O ' ' B' ' 637' ' ' ASN . 52.4 tt0 -81.56 -20.42 39.98 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.955 -1.091 . . . . 0.0 110.333 -179.543 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 640' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -82.34 -56.81 3.67 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 120.356 -1.465 . . . . 0.0 107.665 178.04 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 641' ' ' VAL . . . . . 0.606 HG13 ' N ' ' B' ' 642' ' ' GLN . 6.3 p -52.35 -50.84 36.33 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.55 0 O-C-N 120.985 -1.072 . . . . 0.0 108.427 177.604 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 642' ' ' GLN . . . . . 0.606 ' N ' HG13 ' B' ' 641' ' ' VAL . 66.0 mt-30 -49.33 -36.15 20.42 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.932 -1.105 . . . . 0.0 108.623 179.503 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 643' ' ' LEU . . . . . . . . . . . . . 50.8 mt -78.6 -20.6 50.11 Favored 'General case' 0 N--CA 1.491 1.59 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 177.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 644' ' ' ALA . . . . . 0.534 ' N ' ' O ' ' B' ' 641' ' ' VAL . . . -86.25 -48.28 8.67 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.993 -1.067 . . . . 0.0 108.553 177.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 645' ' ' LEU . . . . . . . . . . . . . 84.5 mt -60.63 -25.33 66.22 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.016 -1.052 . . . . 0.0 108.928 179.057 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 646' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -93.96 -8.6 39.6 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.386 -0.821 . . . . 0.0 109.601 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 647' ' ' LYS . . . . . 0.527 ' C ' ' H ' ' B' ' 649' ' ' MET . 27.2 ttpp -74.44 -83.67 0.05 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.149 -0.969 . . . . 0.0 110.383 -179.204 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 648' ' ' HIS . . . . . . . . . . . . . 2.6 p80 -67.81 29.5 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.087 -1.008 . . . . 0.0 110.495 -178.365 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 649' ' ' MET . . . . . 0.527 ' H ' ' C ' ' B' ' 647' ' ' LYS . 4.8 tpt -91.26 103.8 16.42 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.911 -1.118 . . . . 0.0 109.31 -179.712 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 650' ' ' ASN . . . . . . . . . . . . . 61.5 t-20 . . . . . 0 N--CA 1.489 1.507 0 CA-C-O 117.928 -1.034 . . . . 0.0 109.475 179.994 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 301' ' ' GLU . . . . . 0.421 ' OE2' ' N ' ' A' ' 302' ' ' PHE . 1.4 pp20? . . . . . 0 N--CA 1.495 1.797 0 N-CA-C 106.821 -1.548 . . . . 0.0 106.821 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 302' ' ' PHE . . . . . 0.421 ' N ' ' OE2' ' A' ' 301' ' ' GLU . 47.0 t80 -68.74 -65.34 0.71 Allowed 'General case' 0 C--N 1.302 -1.475 0 CA-C-N 114.363 -1.29 . . . . 0.0 109.274 178.451 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 303' ' ' CYS . . . . . . . . . . . . . 5.4 t -65.41 -35.25 80.38 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.18 -0.95 . . . . 0.0 109.632 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 7.0 t -52.59 -31.67 37.47 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.59 -0.694 . . . . 0.0 111.325 -178.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . 43.0 mtpt -99.85 -14.88 18.6 Favored 'General case' 0 N--CA 1.507 2.407 0 O-C-N 120.917 -1.115 . . . . 0.0 109.257 178.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 306' ' ' MET . . . . . 0.549 ' O ' HG12 ' A' ' 309' ' ' VAL . 31.1 mmm -73.23 -24.63 60.51 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 120.317 -1.489 . . . . 0.0 107.215 176.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 307' ' ' ASN . . . . . 0.418 ' O ' ' C ' ' A' ' 308' ' ' GLN . 35.5 t30 -85.15 -37.8 19.77 Favored 'General case' 0 N--CA 1.495 1.804 0 N-CA-C 106.467 -1.679 . . . . 0.0 106.467 178.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 308' ' ' GLN . . . . . 0.559 ' O ' ' N ' ' A' ' 310' ' ' CYS . 8.0 tt0 -38.38 -38.47 0.37 Allowed 'General case' 0 N--CA 1.504 2.237 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 178.541 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 309' ' ' VAL . . . . . 0.549 HG12 ' O ' ' A' ' 306' ' ' MET . 13.5 p -45.28 -14.17 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.501 2.08 0 O-C-N 121.716 -0.615 . . . . 0.0 109.392 178.559 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 310' ' ' CYS . . . . . 0.559 ' N ' ' O ' ' A' ' 308' ' ' GLN . 3.0 t -81.95 -61.56 1.88 Allowed 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.238 -0.914 . . . . 0.0 109.761 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 311' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.271 0 N-CA-C 109.882 -1.287 . . . . 0.0 109.882 -179.66 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 593' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.26 0 N-CA-C 109.326 -1.51 . . . . 0.0 109.326 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 594' ' ' SER . . . . . 0.411 ' C ' HD22 ' B' ' 595' ' ' LEU . 68.5 m -82.97 166.03 19.19 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.099 -1.236 . . . . 0.0 110.242 -179.797 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 595' ' ' LEU . . . . . 0.591 HD22 ' N ' ' B' ' 595' ' ' LEU . 3.9 mm? -96.01 125.77 40.79 Favored 'General case' 0 C--N 1.301 -1.507 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 179.699 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 596' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -128.34 152.73 47.81 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.365 -0.835 . . . . 0.0 109.558 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 597' ' ' ARG . . . . . . . . . . . . . 27.9 mtp180 -97.75 -138.03 0.28 Allowed 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.373 -0.829 . . . . 0.0 110.426 -178.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 598' ' ' CYS . . . . . 0.412 ' C ' ' N ' ' B' ' 600' ' ' GLU . 2.6 p -86.91 -93.71 0.09 Allowed 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.447 -0.783 . . . . 0.0 110.367 -179.014 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 599' ' ' SER . . . . . 0.424 ' O ' ' N ' ' B' ' 602' ' ' TRP . 15.2 m -44.91 -25.34 0.3 Allowed 'General case' 0 N--CA 1.497 1.923 0 CA-C-O 122.175 0.988 . . . . 0.0 109.003 -179.651 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 600' ' ' GLU . . . . . 0.415 ' O ' ' OE1' ' B' ' 600' ' ' GLU . 2.0 tm-20 -45.16 -41.81 8.47 Favored 'General case' 0 C--N 1.303 -1.434 0 CA-C-O 122.672 1.225 . . . . 0.0 108.697 178.746 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 601' ' ' ILE . . . . . 0.537 ' O ' ' N ' ' B' ' 604' ' ' ARG . 2.5 mt -70.67 -32.8 50.58 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.301 0 CA-C-N 115.474 -0.785 . . . . 0.0 108.931 -177.663 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 602' ' ' TRP . . . . . 0.424 ' N ' ' O ' ' B' ' 599' ' ' SER . 61.6 t-105 -45.33 -36.83 4.39 Favored 'General case' 0 N--CA 1.492 1.658 0 N-CA-C 107.395 -1.335 . . . . 0.0 107.395 179.397 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 603' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -70.38 -43.43 70.12 Favored 'General case' 0 C--N 1.303 -1.443 0 N-CA-C 107.798 -1.186 . . . . 0.0 107.798 177.621 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 604' ' ' ARG . . . . . 0.621 HH21 HE22 ' B' ' 642' ' ' GLN . 0.2 OUTLIER -56.14 -30.19 61.8 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.248 -0.908 . . . . 0.0 108.839 179.063 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 605' ' ' ILE . . . . . . . . . . . . . 97.2 mt -79.93 -45.25 22.88 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 O-C-N 121.261 -0.899 . . . . 0.0 110.102 179.487 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 606' ' ' THR . . . . . . . . . . . . . 30.5 p . . . . . 0 N--CA 1.492 1.626 0 O-C-N 120.943 -1.098 . . . . 0.0 110.188 -179.253 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 614' ' ' ILE . . . . . 0.664 HG22 ' N ' ' B' ' 615' ' ' ASP . 76.6 mt . . . . . 0 N--CA 1.5 2.028 0 CA-C-O 121.16 0.505 . . . . 0.0 109.677 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 615' ' ' ASP . . . . . 0.664 ' N ' HG22 ' B' ' 614' ' ' ILE . 1.1 m-20 -127.76 117.86 22.67 Favored 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 179.421 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 616' ' ' VAL . . . . . . . . . . . . . 58.9 t -82.22 -16.27 11.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.48 -0.762 . . . . 0.0 109.522 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 617' ' ' ASP . . . . . 0.494 ' OD1' ' N ' ' B' ' 618' ' ' GLY . 1.7 p30 -66.29 -46.24 77.67 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.26 -0.9 . . . . 0.0 110.783 -178.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 618' ' ' GLY . . . . . 0.494 ' N ' ' OD1' ' B' ' 617' ' ' ASP . . . -66.63 -32.91 82.86 Favored Glycine 0 N--CA 1.492 2.391 0 C-N-CA 119.773 -1.204 . . . . 0.0 110.301 -179.132 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 619' ' ' LEU . . . . . . . . . . . . . 4.3 mt -68.15 -19.78 64.84 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 120.899 -1.353 . . . . 0.0 108.184 179.53 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 620' ' ' CYS . . . . . . . . . . . . . 15.7 t -73.85 -52.52 12.75 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.539 -0.726 . . . . 0.0 110.815 -179.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 86.3 p -83.03 -1.78 53.57 Favored 'General case' 0 N--CA 1.503 2.178 0 O-C-N 120.642 -1.287 . . . . 0.0 110.262 -179.252 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 622' ' ' GLU . . . . . 0.426 ' OE1' ' O ' ' B' ' 618' ' ' GLY . 47.2 mt-10 -98.07 -48.14 5.24 Favored 'General case' 0 C--N 1.297 -1.705 0 O-C-N 121.275 -0.891 . . . . 0.0 109.428 178.584 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 623' ' ' LEU . . . . . 0.426 HD12 ' N ' ' B' ' 623' ' ' LEU . 7.3 mp -87.38 -19.32 28.28 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 120.861 -1.149 . . . . 0.0 110.742 -179.444 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 624' ' ' MET . . . . . 0.45 ' SD ' ' C ' ' B' ' 624' ' ' MET . 2.1 tmt? -69.49 -28.0 65.69 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 120.617 -1.302 . . . . 0.0 111.107 -178.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 625' ' ' ALA . . . . . 0.416 ' C ' ' N ' ' B' ' 627' ' ' ALA . . . -104.48 -39.01 6.57 Favored 'General case' 0 N--CA 1.503 2.211 0 O-C-N 120.863 -1.148 . . . . 0.0 108.865 179.308 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 626' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -61.02 -15.35 31.09 Favored 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 106.48 -1.674 . . . . 0.0 106.48 177.359 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 627' ' ' ALA . . . . . 0.416 ' N ' ' C ' ' B' ' 625' ' ' ALA . . . -47.76 147.65 1.84 Allowed 'General case' 0 N--CA 1.49 1.545 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.652 -179.557 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 628' ' ' LYS . . . . . . . . . . . . . 58.8 tttp -121.71 87.15 2.7 Favored 'General case' 0 N--CA 1.496 1.848 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 178.35 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 629' ' ' CYS . . . . . . . . . . . . . 16.6 t -50.55 133.11 25.5 Favored 'General case' 0 N--CA 1.495 1.78 0 CA-C-O 122.349 1.071 . . . . 0.0 111.931 -177.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 630' ' ' SER . . . . . . . . . . . . . 8.5 t -142.88 160.03 41.11 Favored 'General case' 0 N--CA 1.493 1.676 0 N-CA-C 107.481 -1.303 . . . . 0.0 107.481 178.223 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 631' ' ' GLU . . . . . . . . . . . . . 48.5 tt0 -65.8 -20.61 66.32 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.342 -1.474 . . . . 0.0 109.891 -179.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 11.1 tpt180 -82.66 -15.9 50.3 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.916 -1.115 . . . . 0.0 108.051 178.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 633' ' ' GLY . . . . . . . . . . . . . . . 132.67 -175.07 20.17 Favored Glycine 0 N--CA 1.497 2.764 0 N-CA-C 108.508 -1.837 . . . . 0.0 108.508 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 634' ' ' VAL . . . . . 0.47 ' H ' HG12 ' B' ' 634' ' ' VAL . 1.4 p -76.8 145.05 10.88 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.347 0 O-C-N 120.819 -1.401 . . . . 0.0 109.461 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 36.0 m -141.04 138.71 34.1 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.835 0 O-C-N 121.146 -0.971 . . . . 0.0 108.879 178.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 636' ' ' ILE . . . . . . . . . . . . . 95.2 mt -133.25 154.36 39.1 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.004 0 O-C-N 121.527 -0.733 . . . . 0.0 109.447 -179.478 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 637' ' ' ASN . . . . . 0.489 ' O ' ' N ' ' B' ' 639' ' ' GLU . 9.4 t-20 -84.36 136.25 33.96 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.267 -0.896 . . . . 0.0 109.584 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -49.18 -9.47 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.614 -0.679 . . . . 0.0 110.509 179.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 639' ' ' GLU . . . . . 0.489 ' N ' ' O ' ' B' ' 637' ' ' ASN . 51.1 tt0 -80.94 -23.94 38.51 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.762 -1.211 . . . . 0.0 111.242 -179.321 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 640' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -85.72 -59.82 2.2 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 120.137 -1.602 . . . . 0.0 108.192 178.148 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 641' ' ' VAL . . . . . 0.663 HG13 ' N ' ' B' ' 642' ' ' GLN . 11.8 p -48.6 -52.49 8.78 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 120.957 -1.089 . . . . 0.0 108.747 178.085 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 642' ' ' GLN . . . . . 0.663 ' N ' HG13 ' B' ' 641' ' ' VAL . 8.3 tp-100 -54.84 -33.39 61.64 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.98 -1.075 . . . . 0.0 109.073 179.51 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 643' ' ' LEU . . . . . . . . . . . . . 9.6 tp -77.82 -22.74 49.54 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.239 -0.913 . . . . 0.0 108.588 178.348 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 644' ' ' ALA . . . . . . . . . . . . . . . -87.58 -53.37 4.83 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.049 -1.032 . . . . 0.0 108.655 178.144 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 645' ' ' LEU . . . . . . . . . . . . . 75.1 mt -55.88 -26.82 48.95 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.19 -0.944 . . . . 0.0 109.608 179.411 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 646' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -93.82 -7.38 43.5 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.0 -1.062 . . . . 0.0 110.102 -179.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 647' ' ' LYS . . . . . . . . . . . . . 56.0 tttm -92.79 -12.75 30.43 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.046 -1.034 . . . . 0.0 110.02 -179.647 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 648' ' ' HIS . . . . . 0.404 ' NE2' ' CD ' ' B' ' 622' ' ' GLU . 5.0 m-70 -117.22 15.17 14.92 Favored 'General case' 0 N--CA 1.502 2.168 0 O-C-N 121.355 -0.84 . . . . 0.0 109.894 -179.5 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 649' ' ' MET . . . . . . . . . . . . . 18.5 ttm -96.77 102.87 14.73 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.226 -0.921 . . . . 0.0 109.615 -179.368 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 650' ' ' ASN . . . . . . . . . . . . . 30.4 m120 . . . . . 0 N--CA 1.49 1.553 0 CA-C-O 117.998 -1.001 . . . . 0.0 109.481 179.928 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 301' ' ' GLU . . . . . 0.449 ' CD ' ' N ' ' A' ' 301' ' ' GLU . 11.5 mp0 . . . . . 0 N--CA 1.493 1.675 0 N-CA-C 105.964 -1.865 . . . . 0.0 105.964 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 302' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -72.94 -64.78 0.9 Allowed 'General case' 0 C--N 1.306 -1.32 0 CA-C-N 114.263 -1.335 . . . . 0.0 109.377 178.299 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 303' ' ' CYS . . . . . . . . . . . . . 9.7 m -63.25 -47.55 81.96 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.238 -0.914 . . . . 0.0 109.993 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 34.5 t -49.23 -32.67 11.05 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.348 -0.845 . . . . 0.0 110.949 -179.125 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . 11.0 mptt -100.33 -13.46 18.79 Favored 'General case' 0 N--CA 1.503 2.194 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 178.414 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 306' ' ' MET . . . . . 0.576 ' O ' HG22 ' A' ' 309' ' ' VAL . 5.4 ttt -73.79 -29.13 62.01 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 120.487 -1.383 . . . . 0.0 107.523 177.292 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 307' ' ' ASN . . . . . 0.442 ' O ' ' C ' ' A' ' 308' ' ' GLN . 33.2 m120 -82.38 -40.12 21.76 Favored 'General case' 0 N--CA 1.492 1.625 0 N-CA-C 106.299 -1.741 . . . . 0.0 106.299 179.46 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 308' ' ' GLN . . . . . 0.522 ' O ' ' N ' ' A' ' 310' ' ' CYS . 5.8 tm0? -36.75 -39.71 0.23 Allowed 'General case' 0 N--CA 1.502 2.14 0 CA-C-O 121.54 0.686 . . . . 0.0 109.25 178.816 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 309' ' ' VAL . . . . . 0.576 HG22 ' O ' ' A' ' 306' ' ' MET . 17.5 m -44.66 -17.67 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.499 2.007 0 CA-C-O 121.553 0.692 . . . . 0.0 109.292 178.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 310' ' ' CYS . . . . . 0.522 ' N ' ' O ' ' A' ' 308' ' ' GLN . 7.4 m -93.21 25.94 3.1 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.546 -0.722 . . . . 0.0 109.211 179.68 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 311' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 308' ' ' GLN . . . . . . . . 0 N--CA 1.49 2.3 0 N-CA-C 109.526 -1.43 . . . . 0.0 109.526 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 593' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.27 0 N-CA-C 109.37 -1.492 . . . . 0.0 109.37 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 594' ' ' SER . . . . . . . . . . . . . 67.1 m -83.33 165.6 19.17 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.17 -1.194 . . . . 0.0 110.054 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 595' ' ' LEU . . . . . 0.539 HD12 ' N ' ' B' ' 595' ' ' LEU . 7.4 mp -92.08 123.61 35.56 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 179.705 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 596' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -125.94 148.0 49.35 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.348 -0.845 . . . . 0.0 109.284 -179.659 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 597' ' ' ARG . . . . . 0.536 ' NH1' ' O ' ' B' ' 632' ' ' ARG . 2.4 tpp180 -89.67 -147.72 0.18 Allowed 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.434 -0.791 . . . . 0.0 111.025 -178.201 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 598' ' ' CYS . . . . . 0.497 ' O ' ' N ' ' B' ' 600' ' ' GLU . 9.3 t -79.83 -92.25 0.05 OUTLIER 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.637 -0.665 . . . . 0.0 110.73 -178.774 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 599' ' ' SER . . . . . 0.49 ' N ' ' SG ' ' B' ' 598' ' ' CYS . 13.7 m -44.79 -20.88 0.04 OUTLIER 'General case' 0 N--CA 1.497 1.91 0 CA-C-O 122.267 1.032 . . . . 0.0 108.971 -179.525 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 600' ' ' GLU . . . . . 0.497 ' N ' ' O ' ' B' ' 598' ' ' CYS . 4.5 tp10 -48.9 -45.93 41.99 Favored 'General case' 0 C--N 1.297 -1.675 0 CA-C-O 122.96 1.362 . . . . 0.0 108.603 179.079 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 601' ' ' ILE . . . . . 0.57 ' O ' ' N ' ' B' ' 604' ' ' ARG . 1.1 mp -64.18 -33.66 63.92 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.188 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 -178.073 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 602' ' ' TRP . . . . . . . . . . . . . 48.1 t-105 -46.99 -41.33 16.12 Favored 'General case' 0 N--CA 1.493 1.712 0 N-CA-C 107.56 -1.274 . . . . 0.0 107.56 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 603' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -60.19 -41.03 92.04 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 107.138 -1.43 . . . . 0.0 107.138 177.432 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 604' ' ' ARG . . . . . 0.57 ' N ' ' O ' ' B' ' 601' ' ' ILE . 12.3 tpt180 -55.94 -46.23 78.57 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.518 -0.739 . . . . 0.0 109.091 178.6 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 605' ' ' ILE . . . . . 0.538 ' N ' HD12 ' B' ' 605' ' ' ILE . 1.8 mp -62.33 -44.87 99.65 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.92 0 O-C-N 121.237 -0.914 . . . . 0.0 109.14 178.764 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 606' ' ' THR . . . . . . . . . . . . . 66.7 p . . . . . 0 N--CA 1.491 1.59 0 O-C-N 120.904 -1.123 . . . . 0.0 110.195 -179.062 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 614' ' ' ILE . . . . . 0.642 HG22 ' N ' ' B' ' 615' ' ' ASP . 75.4 mt . . . . . 0 N--CA 1.493 1.7 0 CA-C-O 121.681 0.753 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 615' ' ' ASP . . . . . 0.642 ' N ' HG22 ' B' ' 614' ' ' ILE . 40.9 t0 -127.15 116.44 20.65 Favored 'General case' 0 N--CA 1.493 1.7 0 N-CA-C 107.91 -1.144 . . . . 0.0 107.91 179.324 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 616' ' ' VAL . . . . . . . . . . . . . 16.1 m -79.81 -15.97 13.07 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 121.518 -0.739 . . . . 0.0 109.452 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 617' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -70.12 -40.32 74.92 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.287 -0.883 . . . . 0.0 109.839 -179.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 618' ' ' GLY . . . . . . . . . . . . . . . -68.14 -41.13 87.55 Favored Glycine 0 N--CA 1.49 2.245 0 N-CA-C 110.055 -1.218 . . . . 0.0 110.055 -179.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 619' ' ' LEU . . . . . . . . . . . . . 9.3 mt -59.64 -28.92 67.65 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.054 -1.262 . . . . 0.0 108.823 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 620' ' ' CYS . . . . . . . . . . . . . 44.7 t -67.57 -51.65 47.98 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.397 -0.814 . . . . 0.0 110.869 -178.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 89.9 p -81.11 -2.0 46.59 Favored 'General case' 0 N--CA 1.5 2.06 0 O-C-N 120.441 -1.412 . . . . 0.0 109.811 -179.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 622' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -100.47 -46.98 5.05 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.268 -0.895 . . . . 0.0 109.41 178.46 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 623' ' ' LEU . . . . . . . . . . . . . 6.3 mt -86.24 -18.35 32.33 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 120.571 -1.33 . . . . 0.0 110.216 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 624' ' ' MET . . . . . 0.508 ' O ' HG11 ' A' ' 309' ' ' VAL . 1.1 tmt? -76.88 -26.47 54.22 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 120.747 -1.221 . . . . 0.0 111.75 -178.231 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 625' ' ' ALA . . . . . 0.481 ' C ' ' H ' ' B' ' 627' ' ' ALA . . . -105.45 -30.14 9.77 Favored 'General case' 0 N--CA 1.507 2.39 0 O-C-N 120.717 -1.239 . . . . 0.0 109.967 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 626' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -62.26 -8.27 5.52 Favored 'General case' 0 N--CA 1.49 1.533 0 N-CA-C 106.028 -1.842 . . . . 0.0 106.028 177.089 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 627' ' ' ALA . . . . . 0.481 ' H ' ' C ' ' B' ' 625' ' ' ALA . . . -46.08 143.67 2.21 Favored 'General case' 0 N--CA 1.49 1.542 0 CA-C-N 115.305 -0.862 . . . . 0.0 111.936 -179.686 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 628' ' ' LYS . . . . . . . . . . . . . 66.1 mmtt -118.21 96.16 5.2 Favored 'General case' 0 N--CA 1.495 1.819 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 178.435 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 629' ' ' CYS . . . . . . . . . . . . . 18.3 t -56.48 120.46 7.73 Favored 'General case' 0 N--CA 1.494 1.765 0 CA-C-O 122.333 1.063 . . . . 0.0 111.83 -178.041 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 630' ' ' SER . . . . . . . . . . . . . 45.8 t -143.06 158.89 43.19 Favored 'General case' 0 N--CA 1.495 1.784 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 178.481 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 631' ' ' GLU . . . . . 0.548 ' H ' ' CD ' ' B' ' 631' ' ' GLU . 2.4 mp0 -64.17 -23.3 67.26 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.266 -1.521 . . . . 0.0 108.87 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 632' ' ' ARG . . . . . 0.587 ' CG ' HH11 ' B' ' 632' ' ' ARG . 0.1 OUTLIER -78.09 34.78 0.2 Allowed 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 107.279 -1.378 . . . . 0.0 107.279 177.649 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 633' ' ' GLY . . . . . 0.533 ' H ' ' C ' ' B' ' 631' ' ' GLU . . . 68.74 -169.25 42.15 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 107.219 -2.353 . . . . 0.0 107.219 -178.069 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 634' ' ' VAL . . . . . . . . . . . . . 7.5 p -77.31 142.21 14.54 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.535 0 O-C-N 120.22 -1.753 . . . . 0.0 109.612 179.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 17.1 m -136.97 138.38 45.94 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.958 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 178.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 636' ' ' ILE . . . . . 0.417 HG22 ' N ' ' B' ' 637' ' ' ASN . 97.6 mt -135.32 155.06 36.67 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.975 0 O-C-N 121.494 -0.754 . . . . 0.0 109.473 -179.138 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 637' ' ' ASN . . . . . 0.457 ' O ' ' N ' ' B' ' 639' ' ' GLU . 3.4 m-80 -88.59 139.0 30.92 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.157 -0.964 . . . . 0.0 110.292 -179.382 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -49.39 -9.9 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.704 -0.622 . . . . 0.0 110.893 179.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 639' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' B' ' 637' ' ' ASN . 7.3 tm-20 -76.26 -18.31 59.06 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.882 -1.136 . . . . 0.0 109.887 179.343 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 640' ' ' ASP . . . . . 0.525 ' N ' ' OD1' ' B' ' 640' ' ' ASP . 0.6 OUTLIER -86.93 -55.8 3.68 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 120.333 -1.479 . . . . 0.0 108.658 177.811 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 641' ' ' VAL . . . . . 0.416 HG12 ' H ' ' B' ' 641' ' ' VAL . 0.3 OUTLIER -53.93 -52.95 31.17 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 O-C-N 120.661 -1.274 . . . . 0.0 108.259 178.843 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 642' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -55.44 -34.16 64.22 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.088 -1.007 . . . . 0.0 109.194 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 643' ' ' LEU . . . . . . . . . . . . . 35.6 tp -82.06 -23.62 35.73 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.283 -0.886 . . . . 0.0 108.868 178.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 644' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' B' ' 640' ' ' ASP . . . -86.13 -40.01 16.12 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 120.927 -1.108 . . . . 0.0 108.956 178.643 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 645' ' ' LEU . . . . . 0.54 ' O ' ' N ' ' B' ' 647' ' ' LYS . 82.7 mt -70.61 -68.6 0.42 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.738 -1.226 . . . . 0.0 109.257 178.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 646' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -47.12 -9.95 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.187 -0.946 . . . . 0.0 110.744 -179.232 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 647' ' ' LYS . . . . . 0.54 ' N ' ' O ' ' B' ' 645' ' ' LEU . 52.9 tttp -88.85 -12.86 40.69 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 120.828 -1.17 . . . . 0.0 109.917 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 648' ' ' HIS . . . . . . . . . . . . . 62.4 m-70 -112.37 19.57 17.51 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 121.385 -0.822 . . . . 0.0 109.14 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 649' ' ' MET . . . . . . . . . . . . . 23.7 mmt -96.47 129.25 43.88 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.271 -0.893 . . . . 0.0 109.514 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 650' ' ' ASN . . . . . . . . . . . . . 30.3 m120 . . . . . 0 N--CA 1.491 1.59 0 CA-C-O 118.019 -0.991 . . . . 0.0 109.444 -179.942 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 301' ' ' GLU . . . . . 0.431 ' OE2' ' O ' ' A' ' 301' ' ' GLU . 0.8 OUTLIER . . . . . 0 N--CA 1.49 1.542 0 CA-C-O 121.353 0.597 . . . . 0.0 109.485 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 302' ' ' PHE . . . . . . . . . . . . . 31.4 t80 -61.26 -60.62 3.46 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.392 -0.818 . . . . 0.0 109.323 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 303' ' ' CYS . . . . . . . . . . . . . 7.0 t -79.53 -49.21 12.58 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.252 -0.905 . . . . 0.0 110.173 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 31.3 t -52.89 -25.79 12.81 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.385 -0.822 . . . . 0.0 110.76 -179.124 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . 32.4 ttpt -98.57 -14.8 19.77 Favored 'General case' 0 N--CA 1.504 2.26 0 O-C-N 120.994 -1.066 . . . . 0.0 108.141 178.409 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 306' ' ' MET . . . . . . . . . . . . . 36.8 ttm -74.67 -21.41 59.43 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 176.708 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 307' ' ' ASN . . . . . 0.46 ' O ' ' N ' ' A' ' 310' ' ' CYS . 74.0 m-20 -84.62 -40.29 17.65 Favored 'General case' 0 N--CA 1.492 1.666 0 N-CA-C 106.033 -1.84 . . . . 0.0 106.033 178.296 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 308' ' ' GLN . . . . . 0.527 ' O ' ' N ' ' A' ' 311' ' ' GLY . 32.0 tp60 -38.39 -43.61 0.84 Allowed 'General case' 0 N--CA 1.502 2.139 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.375 178.22 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 309' ' ' VAL . . . . . 0.4 HG21 ' O ' ' B' ' 624' ' ' MET . 42.6 t -46.91 -16.36 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.893 0 CA-C-O 122.133 0.968 . . . . 0.0 108.951 179.497 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 310' ' ' CYS . . . . . 0.52 ' N ' ' O ' ' A' ' 308' ' ' GLN . 47.1 m -88.38 12.75 13.34 Favored 'General case' 0 C--N 1.302 -1.459 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.652 179.551 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 311' ' ' GLY . . . . . 0.527 ' N ' ' O ' ' A' ' 308' ' ' GLN . . . . . . . . 0 N--CA 1.493 2.453 0 N-CA-C 109.411 -1.476 . . . . 0.0 109.411 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 593' ' ' GLY . . . . . 0.515 ' O ' ' ND2' ' B' ' 637' ' ' ASN . . . . . . . . 0 N--CA 1.488 2.133 0 N-CA-C 109.062 -1.615 . . . . 0.0 109.062 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 594' ' ' SER . . . . . . . . . . . . . 57.9 m -90.93 164.25 14.08 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.127 -1.219 . . . . 0.0 110.34 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 595' ' ' LEU . . . . . . . . . . . . . 30.4 mt -81.41 118.7 22.9 Favored 'General case' 0 C--N 1.299 -1.612 0 N-CA-C 108.75 -0.834 . . . . 0.0 108.75 179.234 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 596' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -126.98 153.88 45.31 Favored 'General case' 0 N--CA 1.506 2.341 0 O-C-N 121.461 -0.774 . . . . 0.0 109.101 -179.078 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 597' ' ' ARG . . . . . 0.572 HH11 ' CG ' ' B' ' 597' ' ' ARG . 3.4 mtt-85 -103.45 -144.48 0.36 Allowed 'General case' 0 N--CA 1.501 2.107 0 O-C-N 121.418 -0.801 . . . . 0.0 111.359 -178.309 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 598' ' ' CYS . . . . . 0.492 ' O ' ' N ' ' B' ' 600' ' ' GLU . 5.1 p -76.02 -99.73 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.619 -0.676 . . . . 0.0 111.226 -178.366 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 599' ' ' SER . . . . . 0.412 ' N ' ' SG ' ' B' ' 598' ' ' CYS . 1.8 t -43.79 -21.6 0.04 OUTLIER 'General case' 0 N--CA 1.497 1.906 0 CA-C-O 121.855 0.836 . . . . 0.0 109.526 -178.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 600' ' ' GLU . . . . . 0.492 ' N ' ' O ' ' B' ' 598' ' ' CYS . 9.6 tp10 -46.72 -40.75 13.95 Favored 'General case' 0 C--N 1.302 -1.481 0 CA-C-O 122.961 1.363 . . . . 0.0 108.459 179.039 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 601' ' ' ILE . . . . . 0.528 ' O ' ' N ' ' B' ' 604' ' ' ARG . 1.1 mp -70.51 -35.8 63.26 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.151 0 CA-C-N 115.243 -0.89 . . . . 0.0 108.932 -178.759 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 602' ' ' TRP . . . . . 0.409 ' C ' ' O ' ' B' ' 601' ' ' ILE . 72.9 t-105 -44.22 -38.07 3.57 Favored 'General case' 0 N--CA 1.496 1.837 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 603' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -69.71 -42.6 73.83 Favored 'General case' 0 C--N 1.302 -1.463 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 177.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 604' ' ' ARG . . . . . 0.528 ' N ' ' O ' ' B' ' 601' ' ' ILE . 13.6 tpt180 -58.05 -27.76 63.9 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.441 -0.787 . . . . 0.0 110.02 179.256 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 605' ' ' ILE . . . . . . . . . . . . . 69.5 mt -84.25 -42.87 17.29 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.922 0 O-C-N 121.372 -0.83 . . . . 0.0 110.637 -179.214 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 606' ' ' THR . . . . . . . . . . . . . 40.9 p . . . . . 0 N--CA 1.492 1.656 0 O-C-N 120.936 -1.103 . . . . 0.0 110.056 -179.233 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 614' ' ' ILE . . . . . 0.67 HG22 ' N ' ' B' ' 615' ' ' ASP . 94.5 mt . . . . . 0 N--CA 1.5 2.051 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 615' ' ' ASP . . . . . 0.67 ' N ' HG22 ' B' ' 614' ' ' ILE . 3.6 m-20 -113.26 109.89 19.48 Favored 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 107.179 -1.415 . . . . 0.0 107.179 178.44 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 616' ' ' VAL . . . . . 0.431 ' O ' ' SG ' ' B' ' 620' ' ' CYS . 1.4 p -78.52 -16.32 13.71 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.57 0 O-C-N 121.354 -0.841 . . . . 0.0 109.16 -179.105 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 617' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -77.02 -39.21 51.02 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.308 -0.87 . . . . 0.0 110.462 -179.446 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 618' ' ' GLY . . . . . . . . . . . . . . . -69.78 -49.59 35.11 Favored Glycine 0 N--CA 1.489 2.206 0 N-CA-C 109.785 -1.326 . . . . 0.0 109.785 -179.635 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 619' ' ' LEU . . . . . 0.702 ' C ' HD12 ' B' ' 619' ' ' LEU . 3.5 pp -60.63 -21.28 62.55 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.087 -1.243 . . . . 0.0 109.278 -179.785 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 620' ' ' CYS . . . . . 0.509 ' N ' HD12 ' B' ' 619' ' ' LEU . 32.9 m -69.19 -40.75 77.86 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.862 -1.149 . . . . 0.0 109.524 179.207 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 84.1 p -81.88 -2.5 51.38 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 120.839 -1.163 . . . . 0.0 109.637 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 622' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -98.25 -47.66 5.37 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.063 -1.023 . . . . 0.0 108.683 177.043 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 623' ' ' LEU . . . . . . . . . . . . . 8.2 mp -74.81 -25.97 59.4 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.792 -1.192 . . . . 0.0 109.815 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 624' ' ' MET . . . . . 0.487 ' SD ' ' O ' ' B' ' 620' ' ' CYS . 58.5 mtp -73.66 -31.35 63.44 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.938 -1.101 . . . . 0.0 111.775 -178.114 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 625' ' ' ALA . . . . . . . . . . . . . . . -98.37 -15.8 19.56 Favored 'General case' 0 N--CA 1.504 2.244 0 O-C-N 120.726 -1.234 . . . . 0.0 108.752 179.056 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 626' ' ' LYS . . . . . . . . . . . . . 54.5 mmtt -80.89 -10.9 59.67 Favored 'General case' 0 C--N 1.299 -1.587 0 N-CA-C 104.902 -2.258 . . . . 0.0 104.902 175.158 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 627' ' ' ALA . . . . . . . . . . . . . . . -49.99 104.38 0.07 Allowed 'General case' 0 N--CA 1.489 1.488 0 CA-C-N 114.666 -1.152 . . . . 0.0 111.379 -179.606 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 628' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -80.13 89.92 5.44 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 106.706 -1.59 . . . . 0.0 106.706 177.673 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 629' ' ' CYS . . . . . . . . . . . . . 63.7 m -55.56 139.3 44.6 Favored 'General case' 0 N--CA 1.493 1.69 0 CA-C-O 122.399 1.095 . . . . 0.0 112.188 -177.314 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 630' ' ' SER . . . . . . . . . . . . . 5.3 t -141.9 162.22 36.02 Favored 'General case' 0 N--CA 1.494 1.753 0 N-CA-C 107.369 -1.345 . . . . 0.0 107.369 178.294 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 631' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -68.09 -28.7 67.57 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.463 -1.398 . . . . 0.0 110.374 -178.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 21.3 mmt180 -76.28 -16.74 59.72 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.753 -1.217 . . . . 0.0 108.622 179.483 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 633' ' ' GLY . . . . . . . . . . . . . . . 140.79 -178.41 20.1 Favored Glycine 0 N--CA 1.496 2.654 0 N-CA-C 108.466 -1.853 . . . . 0.0 108.466 -179.468 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 634' ' ' VAL . . . . . . . . . . . . . 32.1 m -78.59 157.8 4.88 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.335 0 O-C-N 120.516 -1.579 . . . . 0.0 110.155 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 1.7 m -148.26 139.03 17.26 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 178.081 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 636' ' ' ILE . . . . . . . . . . . . . 61.2 mt -129.0 144.67 37.46 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.993 0 O-C-N 121.526 -0.734 . . . . 0.0 109.503 -179.286 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 637' ' ' ASN . . . . . 0.515 ' ND2' ' O ' ' B' ' 593' ' ' GLY . 12.3 t-20 -84.01 135.78 34.3 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.298 -0.876 . . . . 0.0 108.842 179.417 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -49.34 -10.77 0.04 OUTLIER 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.363 -0.836 . . . . 0.0 109.962 -179.667 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 639' ' ' GLU . . . . . 0.498 ' N ' ' O ' ' B' ' 637' ' ' ASN . 6.1 tm-20 -83.15 -26.66 30.72 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.123 -0.986 . . . . 0.0 111.383 -178.656 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 640' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -78.11 -47.99 16.99 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 119.853 -1.779 . . . . 0.0 107.794 178.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 641' ' ' VAL . . . . . 0.554 HG13 ' N ' ' B' ' 642' ' ' GLN . 4.7 p -57.9 -51.36 71.52 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.623 0 O-C-N 121.256 -0.902 . . . . 0.0 108.659 177.387 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 642' ' ' GLN . . . . . 0.554 ' N ' HG13 ' B' ' 641' ' ' VAL . 26.3 mt-30 -48.1 -33.72 8.64 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 120.803 -1.185 . . . . 0.0 109.277 179.734 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 643' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -79.3 -24.73 42.65 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.273 -0.892 . . . . 0.0 109.373 178.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 644' ' ' ALA . . . . . 0.418 ' N ' ' O ' ' B' ' 641' ' ' VAL . . . -86.2 -35.44 20.06 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 120.557 -1.339 . . . . 0.0 109.777 178.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 645' ' ' LEU . . . . . . . . . . . . . 81.3 mt -76.09 -23.68 54.99 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.763 -1.211 . . . . 0.0 109.122 179.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 646' ' ' ASN . . . . . 0.675 HD22 ' N ' ' B' ' 646' ' ' ASN . 0.8 OUTLIER -93.53 -12.06 30.48 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.359 -0.838 . . . . 0.0 110.033 -179.856 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 647' ' ' LYS . . . . . 0.426 ' C ' ' H ' ' B' ' 649' ' ' MET . 37.9 ttpt -67.7 -80.06 0.05 OUTLIER 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.994 -1.066 . . . . 0.0 110.538 -179.209 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 648' ' ' HIS . . . . . 0.703 ' CD2' ' H ' ' B' ' 648' ' ' HIS . 0.1 OUTLIER -74.69 35.71 0.1 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.22 -0.925 . . . . 0.0 110.004 -178.696 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 649' ' ' MET . . . . . 0.426 ' H ' ' C ' ' B' ' 647' ' ' LYS . 0.8 OUTLIER -93.0 135.69 33.93 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.964 -1.085 . . . . 0.0 109.512 -179.946 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 650' ' ' ASN . . . . . . . . . . . . . 48.4 t30 . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 117.98 -1.01 . . . . 0.0 109.505 179.983 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 301' ' ' GLU . . . . . 0.443 ' O ' ' CG ' ' A' ' 305' ' ' LYS . 32.3 tt0 . . . . . 0 N--CA 1.494 1.775 0 N-CA-C 107.055 -1.461 . . . . 0.0 107.055 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 302' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -70.77 -65.32 0.75 Allowed 'General case' 0 C--N 1.299 -1.616 0 CA-C-N 114.233 -1.349 . . . . 0.0 109.818 179.402 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 303' ' ' CYS . . . . . 0.451 ' O ' ' N ' ' A' ' 306' ' ' MET . 5.2 t -66.65 -51.34 57.28 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.241 -0.912 . . . . 0.0 109.483 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 19.5 m -48.83 -25.02 1.65 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.388 -0.82 . . . . 0.0 110.163 -179.684 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 305' ' ' LYS . . . . . 0.443 ' CG ' ' O ' ' A' ' 301' ' ' GLU . 4.7 mmmm -101.14 -13.61 18.09 Favored 'General case' 0 N--CA 1.5 2.074 0 N-CA-C 108.18 -1.044 . . . . 0.0 108.18 177.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 306' ' ' MET . . . . . 0.451 ' N ' ' O ' ' A' ' 303' ' ' CYS . 9.3 ttt -74.25 -25.44 59.63 Favored 'General case' 0 C--N 1.301 -1.509 0 N-CA-C 107.702 -1.221 . . . . 0.0 107.702 177.374 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 307' ' ' ASN . . . . . 0.427 ' O ' ' C ' ' A' ' 308' ' ' GLN . 1.4 t30 -86.72 -40.0 15.47 Favored 'General case' 0 N--CA 1.493 1.696 0 N-CA-C 106.349 -1.723 . . . . 0.0 106.349 178.395 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 308' ' ' GLN . . . . . 0.529 ' O ' ' N ' ' A' ' 310' ' ' CYS . 32.8 tt0 -36.13 -42.73 0.31 Allowed 'General case' 0 N--CA 1.501 2.102 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.057 178.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 309' ' ' VAL . . . . . . . . . . . . . 11.8 t -45.29 -16.74 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.499 2.011 0 CA-C-O 121.908 0.861 . . . . 0.0 109.513 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 310' ' ' CYS . . . . . 0.529 ' N ' ' O ' ' A' ' 308' ' ' GLN . 0.5 OUTLIER -88.71 14.89 9.13 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.697 -0.627 . . . . 0.0 109.498 179.476 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 311' ' ' GLY . . . . . 0.518 ' N ' ' O ' ' A' ' 308' ' ' GLN . . . . . . . . 0 N--CA 1.49 2.28 0 N-CA-C 109.359 -1.497 . . . . 0.0 109.359 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 593' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.998 0 N-CA-C 109.023 -1.631 . . . . 0.0 109.023 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 594' ' ' SER . . . . . . . . . . . . . 65.8 m -124.8 166.25 16.56 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.686 -0.89 . . . . 0.0 110.057 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 595' ' ' LEU . . . . . 0.573 HD22 ' N ' ' B' ' 595' ' ' LEU . 3.8 mm? -94.07 124.91 38.38 Favored 'General case' 0 C--N 1.3 -1.57 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 179.364 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 596' ' ' LEU . . . . . . . . . . . . . 1.3 mp -128.54 153.7 46.92 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.34 -0.85 . . . . 0.0 109.573 -179.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 597' ' ' ARG . . . . . . . . . . . . . 40.3 mtp180 -102.59 -146.9 0.37 Allowed 'General case' 0 N--CA 1.501 2.113 0 CA-C-O 121.802 0.811 . . . . 0.0 111.521 -178.014 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 598' ' ' CYS . . . . . 0.615 ' SG ' ' N ' ' B' ' 599' ' ' SER . 14.8 t -69.64 -104.44 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.858 -0.526 . . . . 0.0 111.6 -177.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 599' ' ' SER . . . . . 0.615 ' N ' ' SG ' ' B' ' 598' ' ' CYS . 41.7 m -45.0 -18.0 0.02 OUTLIER 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.129 -0.982 . . . . 0.0 109.487 -178.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 600' ' ' GLU . . . . . 0.524 ' N ' ' O ' ' B' ' 598' ' ' CYS . 8.6 tp10 -46.41 -40.46 12.19 Favored 'General case' 0 C--N 1.3 -1.578 0 CA-C-O 122.341 1.067 . . . . 0.0 109.015 179.389 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 601' ' ' ILE . . . . . 0.576 ' O ' ' N ' ' B' ' 604' ' ' ARG . 1.2 mp -68.13 -35.11 70.25 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.163 0 N-CA-C 107.517 -1.29 . . . . 0.0 107.517 -178.601 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 602' ' ' TRP . . . . . 0.445 ' N ' ' O ' ' B' ' 599' ' ' SER . 46.8 t-105 -43.18 -38.05 2.34 Favored 'General case' 0 N--CA 1.494 1.729 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 179.75 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 603' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -68.88 -42.77 76.54 Favored 'General case' 0 C--N 1.304 -1.374 0 N-CA-C 107.921 -1.141 . . . . 0.0 107.921 177.569 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 604' ' ' ARG . . . . . 0.576 ' N ' ' O ' ' B' ' 601' ' ' ILE . 15.6 mmt180 -56.38 -42.71 78.33 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.371 -0.831 . . . . 0.0 109.293 178.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 605' ' ' ILE . . . . . . . . . . . . . 17.3 mm -57.86 -48.97 82.57 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.998 0 O-C-N 121.504 -0.747 . . . . 0.0 110.312 179.283 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 606' ' ' THR . . . . . . . . . . . . . 67.1 p . . . . . 0 N--CA 1.491 1.584 0 O-C-N 120.911 -1.118 . . . . 0.0 110.087 -178.995 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 614' ' ' ILE . . . . . 0.602 HG22 ' N ' ' B' ' 615' ' ' ASP . 82.2 mt . . . . . 0 N--CA 1.494 1.762 0 CA-C-O 121.585 0.707 . . . . 0.0 110.831 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 615' ' ' ASP . . . . . 0.602 ' N ' HG22 ' B' ' 614' ' ' ILE . 1.2 m-20 -121.93 116.9 25.19 Favored 'General case' 0 N--CA 1.493 1.679 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 179.437 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 616' ' ' VAL . . . . . . . . . . . . . 41.6 t -80.05 -16.43 12.89 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.55 0 O-C-N 121.323 -0.861 . . . . 0.0 109.24 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 617' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -75.87 -43.65 44.52 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.247 -0.908 . . . . 0.0 110.449 -178.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 618' ' ' GLY . . . . . . . . . . . . . . . -67.19 -42.51 91.09 Favored Glycine 0 N--CA 1.491 2.349 0 N-CA-C 109.571 -1.411 . . . . 0.0 109.571 -179.711 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 619' ' ' LEU . . . . . 0.613 ' HG ' HD13 ' B' ' 623' ' ' LEU . 0.5 OUTLIER -63.4 -26.02 68.55 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.229 -1.159 . . . . 0.0 108.107 179.578 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 620' ' ' CYS . . . . . 0.486 ' O ' ' CG ' ' B' ' 624' ' ' MET . 14.3 t -67.78 -54.45 19.1 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.313 -0.867 . . . . 0.0 110.533 -179.704 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 37.5 t -76.61 -0.51 23.6 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 120.666 -1.271 . . . . 0.0 109.354 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 622' ' ' GLU . . . . . . . . . . . . . 53.8 tt0 -100.18 -43.77 6.19 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.235 -0.916 . . . . 0.0 109.069 177.683 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 623' ' ' LEU . . . . . 0.613 HD13 ' HG ' ' B' ' 619' ' ' LEU . 3.9 mp -86.15 -30.14 22.71 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 120.739 -1.225 . . . . 0.0 109.953 -179.847 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 624' ' ' MET . . . . . 0.486 ' CG ' ' O ' ' B' ' 620' ' ' CYS . 30.8 mmm -59.09 -31.94 69.35 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 121.033 -1.042 . . . . 0.0 111.967 -178.279 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 625' ' ' ALA . . . . . . . . . . . . . . . -103.62 -3.8 24.68 Favored 'General case' 0 N--CA 1.507 2.406 0 O-C-N 120.645 -1.284 . . . . 0.0 110.28 -179.708 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 626' ' ' LYS . . . . . . . . . . . . . 34.3 mmtm -88.19 -12.23 44.48 Favored 'General case' 0 N--CA 1.492 1.65 0 N-CA-C 106.756 -1.572 . . . . 0.0 106.756 176.51 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 627' ' ' ALA . . . . . . . . . . . . . . . -45.32 138.24 4.22 Favored 'General case' 0 N--CA 1.492 1.669 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.843 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 628' ' ' LYS . . . . . . . . . . . . . 51.0 mttp -117.52 93.42 4.16 Favored 'General case' 0 N--CA 1.499 1.977 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 178.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 629' ' ' CYS . . . . . . . . . . . . . 14.4 m -54.78 119.48 5.41 Favored 'General case' 0 N--CA 1.494 1.739 0 CA-C-O 122.401 1.096 . . . . 0.0 111.532 -178.152 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 630' ' ' SER . . . . . . . . . . . . . 44.6 t -142.58 160.15 40.86 Favored 'General case' 0 N--CA 1.494 1.751 0 N-CA-C 107.461 -1.311 . . . . 0.0 107.461 178.363 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 631' ' ' GLU . . . . . 0.491 ' C ' ' H ' ' B' ' 633' ' ' GLY . 8.6 pt-20 -64.3 -23.29 67.25 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.27 -1.519 . . . . 0.0 108.797 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 17.8 mmt180 -79.44 34.5 0.26 Allowed 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 107.391 -1.337 . . . . 0.0 107.391 177.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 633' ' ' GLY . . . . . 0.491 ' H ' ' C ' ' B' ' 631' ' ' GLU . . . 70.48 -169.7 46.86 Favored Glycine 0 N--CA 1.491 2.361 0 N-CA-C 107.633 -2.187 . . . . 0.0 107.633 -178.327 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 634' ' ' VAL . . . . . . . . . . . . . 9.2 p -78.48 141.98 14.72 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.408 0 O-C-N 120.399 -1.648 . . . . 0.0 109.293 179.495 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 31.3 m -133.36 138.3 51.47 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.155 0 O-C-N 121.242 -0.911 . . . . 0.0 108.934 178.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 636' ' ' ILE . . . . . . . . . . . . . 62.7 mt -129.91 153.8 39.4 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.924 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 -179.198 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 637' ' ' ASN . . . . . 0.7 HD22 ' N ' ' B' ' 637' ' ' ASN . 0.7 OUTLIER -90.71 138.0 31.92 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.154 -0.966 . . . . 0.0 110.008 -179.678 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -53.57 -11.04 0.31 Allowed 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.69 -0.631 . . . . 0.0 111.092 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 639' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -78.16 -19.37 54.11 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.809 -1.182 . . . . 0.0 110.612 -179.685 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 640' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -86.48 -59.58 2.24 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 120.231 -1.543 . . . . 0.0 108.421 177.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 641' ' ' VAL . . . . . 0.462 ' HA ' HD11 ' B' ' 623' ' ' LEU . 1.9 p -51.01 -35.0 14.44 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 121.021 -1.049 . . . . 0.0 109.262 178.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 642' ' ' GLN . . . . . . . . . . . . . 40.0 tp60 -70.08 -35.01 73.89 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.216 -0.928 . . . . 0.0 109.011 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 643' ' ' LEU . . . . . . . . . . . . . 97.2 mt -83.72 -18.49 37.72 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.042 -1.036 . . . . 0.0 108.553 178.158 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 644' ' ' ALA . . . . . 0.422 ' O ' ' CD2' ' B' ' 648' ' ' HIS . . . -88.38 -34.47 17.57 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.989 -1.069 . . . . 0.0 109.202 178.511 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 645' ' ' LEU . . . . . 0.421 HD21 HD13 ' B' ' 619' ' ' LEU . 69.5 mt -87.3 -25.72 23.78 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.058 -1.026 . . . . 0.0 110.009 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 646' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -88.03 -12.96 42.82 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 120.912 -1.118 . . . . 0.0 109.754 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 647' ' ' LYS . . . . . . . . . . . . . 49.7 mtpt -96.16 -4.5 42.52 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.044 -1.035 . . . . 0.0 108.834 179.114 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 648' ' ' HIS . . . . . 0.422 ' CD2' ' O ' ' B' ' 644' ' ' ALA . 4.3 m-70 -113.25 12.29 18.9 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.631 -0.668 . . . . 0.0 109.416 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 649' ' ' MET . . . . . . . . . . . . . 50.6 tpp -95.48 128.87 42.69 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.285 -0.885 . . . . 0.0 109.497 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 650' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 . . . . . 0 N--CA 1.489 1.512 0 CA-C-O 118.032 -0.985 . . . . 0.0 109.411 180.0 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 301' ' ' GLU . . . . . . . . . . . . . 23.4 tp10 . . . . . 0 N--CA 1.493 1.709 0 N-CA-C 106.912 -1.514 . . . . 0.0 106.912 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 302' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -72.46 -57.33 4.26 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-N 114.677 -1.147 . . . . 0.0 109.711 178.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 303' ' ' CYS . . . . . 0.429 ' O ' ' OD1' ' A' ' 307' ' ' ASN . 23.5 m -74.84 -26.6 59.82 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.922 -1.111 . . . . 0.0 109.584 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 4.7 m -60.51 -37.34 80.8 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.361 -0.837 . . . . 0.0 111.233 -178.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . 34.4 mtmt -95.13 -19.01 20.46 Favored 'General case' 0 N--CA 1.506 2.347 0 O-C-N 120.841 -1.162 . . . . 0.0 108.617 178.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 306' ' ' MET . . . . . . . . . . . . . 10.2 ttm -71.7 -22.76 61.6 Favored 'General case' 0 C--N 1.296 -1.743 0 N-CA-C 107.008 -1.478 . . . . 0.0 107.008 177.126 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 307' ' ' ASN . . . . . 0.429 ' OD1' ' O ' ' A' ' 303' ' ' CYS . 5.9 m-20 -79.71 -39.58 30.86 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 106.03 -1.841 . . . . 0.0 106.03 178.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 308' ' ' GLN . . . . . 0.545 ' O ' ' N ' ' A' ' 310' ' ' CYS . 19.2 tt0 -37.4 -39.39 0.29 Allowed 'General case' 0 N--CA 1.506 2.337 0 CA-C-O 121.647 0.736 . . . . 0.0 109.022 178.071 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 309' ' ' VAL . . . . . . . . . . . . . 21.9 t -46.47 -13.4 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.5 2.027 0 C-N-CA 120.184 -0.607 . . . . 0.0 109.366 179.039 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 310' ' ' CYS . . . . . 0.545 ' N ' ' O ' ' A' ' 308' ' ' GLN . 5.4 t -84.71 -62.16 1.61 Allowed 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.524 -0.735 . . . . 0.0 109.618 179.215 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 311' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 2.8 0 N-CA-C 109.607 -1.397 . . . . 0.0 109.607 -179.737 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 593' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.321 0 N-CA-C 109.426 -1.47 . . . . 0.0 109.426 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 594' ' ' SER . . . . . 0.413 ' C ' HD22 ' B' ' 595' ' ' LEU . 61.6 m -77.83 166.85 22.4 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.152 -1.205 . . . . 0.0 110.227 -179.765 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 595' ' ' LEU . . . . . 0.711 HD22 ' N ' ' B' ' 595' ' ' LEU . 3.1 mm? -93.22 119.7 32.69 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 596' ' ' LEU . . . . . 0.773 HD11 ' HB2' ' B' ' 638' ' ' ALA . 0.2 OUTLIER -127.75 158.33 37.95 Favored 'General case' 0 N--CA 1.508 2.438 0 O-C-N 121.297 -0.877 . . . . 0.0 109.626 -179.833 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 597' ' ' ARG . . . . . 0.504 HH11 ' CG ' ' B' ' 597' ' ' ARG . 0.1 OUTLIER -100.91 -144.83 0.34 Allowed 'General case' 0 N--CA 1.5 2.058 0 O-C-N 121.39 -0.819 . . . . 0.0 110.448 -179.046 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 598' ' ' CYS . . . . . 0.497 ' O ' ' N ' ' B' ' 600' ' ' GLU . 4.6 p -81.98 -95.77 0.05 OUTLIER 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.359 -0.838 . . . . 0.0 110.948 -178.433 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 599' ' ' SER . . . . . 0.476 ' O ' ' N ' ' B' ' 602' ' ' TRP . 29.0 t -44.4 -21.19 0.04 OUTLIER 'General case' 0 N--CA 1.498 1.967 0 CA-C-O 122.208 1.004 . . . . 0.0 108.981 -179.387 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 600' ' ' GLU . . . . . 0.497 ' N ' ' O ' ' B' ' 598' ' ' CYS . 7.7 tp10 -47.32 -36.0 8.77 Favored 'General case' 0 C--N 1.304 -1.401 0 CA-C-O 122.799 1.285 . . . . 0.0 108.037 178.551 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 601' ' ' ILE . . . . . 0.56 ' O ' ' N ' ' B' ' 604' ' ' ARG . 1.3 mp -72.33 -33.01 44.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.055 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 -178.497 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 602' ' ' TRP . . . . . 0.527 ' CD1' ' OG1' ' B' ' 606' ' ' THR . 52.0 t-105 -45.61 -36.68 4.92 Favored 'General case' 0 N--CA 1.492 1.658 0 N-CA-C 107.323 -1.362 . . . . 0.0 107.323 179.597 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 603' ' ' ASP . . . . . . . . . . . . . 29.4 t0 -70.78 -41.56 71.54 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 107.724 -1.213 . . . . 0.0 107.724 177.464 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 604' ' ' ARG . . . . . 0.56 ' N ' ' O ' ' B' ' 601' ' ' ILE . 18.3 mmt-85 -59.25 -38.42 80.01 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.283 -0.886 . . . . 0.0 109.379 179.076 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 605' ' ' ILE . . . . . . . . . . . . . 73.2 mt -87.19 -50.67 13.69 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.971 0 O-C-N 121.674 -0.641 . . . . 0.0 111.223 -179.409 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 606' ' ' THR . . . . . 0.527 ' OG1' ' CD1' ' B' ' 602' ' ' TRP . 90.2 m . . . . . 0 N--CA 1.495 1.778 0 O-C-N 121.08 -1.013 . . . . 0.0 110.651 -178.6 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 614' ' ' ILE . . . . . 0.57 HG22 ' N ' ' B' ' 615' ' ' ASP . 73.9 mt . . . . . 0 N--CA 1.493 1.686 0 CA-C-O 121.588 0.709 . . . . 0.0 110.628 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 615' ' ' ASP . . . . . 0.57 ' N ' HG22 ' B' ' 614' ' ' ILE . 0.8 OUTLIER -123.87 124.95 43.77 Favored 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 179.542 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 616' ' ' VAL . . . . . . . . . . . . . 82.9 t -78.85 -17.64 13.33 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.355 -0.841 . . . . 0.0 109.394 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 617' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -77.08 -38.29 52.71 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.223 -0.923 . . . . 0.0 110.627 -179.379 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 618' ' ' GLY . . . . . 0.419 ' O ' ' OE1' ' B' ' 622' ' ' GLU . . . -66.38 -42.81 93.7 Favored Glycine 0 N--CA 1.492 2.376 0 N-CA-C 109.699 -1.36 . . . . 0.0 109.699 -179.549 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 619' ' ' LEU . . . . . 0.7 ' N ' HD23 ' B' ' 619' ' ' LEU . 0.1 OUTLIER -63.75 -25.62 68.27 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 107.447 -1.316 . . . . 0.0 107.447 179.46 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 620' ' ' CYS . . . . . 0.423 ' O ' ' CB ' ' B' ' 624' ' ' MET . 10.2 t -68.85 -58.64 3.89 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.387 -0.821 . . . . 0.0 110.989 -179.585 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 16.5 m -76.59 -2.08 30.75 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 120.384 -1.448 . . . . 0.0 110.338 -179.253 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 622' ' ' GLU . . . . . 0.516 ' OE2' ' NE2' ' B' ' 648' ' ' HIS . 47.7 mt-10 -99.28 -47.71 5.08 Favored 'General case' 0 C--N 1.297 -1.714 0 O-C-N 121.218 -0.926 . . . . 0.0 109.306 178.016 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 623' ' ' LEU . . . . . . . . . . . . . 7.0 mp -87.66 -20.78 25.83 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 120.671 -1.268 . . . . 0.0 110.378 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 624' ' ' MET . . . . . 0.423 ' CB ' ' O ' ' B' ' 620' ' ' CYS . 26.6 ttt -71.27 -31.66 67.76 Favored 'General case' 0 N--CA 1.502 2.16 0 O-C-N 120.664 -1.272 . . . . 0.0 112.498 -177.551 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 625' ' ' ALA . . . . . . . . . . . . . . . -102.69 -4.51 24.98 Favored 'General case' 0 N--CA 1.506 2.343 0 O-C-N 120.672 -1.267 . . . . 0.0 109.427 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 626' ' ' LYS . . . . . . . . . . . . . 46.9 mttp -95.1 -12.07 27.14 Favored 'General case' 0 N--CA 1.493 1.694 0 N-CA-C 106.722 -1.584 . . . . 0.0 106.722 176.546 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 627' ' ' ALA . . . . . . . . . . . . . . . -49.37 149.98 1.99 Allowed 'General case' 0 N--CA 1.493 1.702 0 CA-C-O 121.381 0.61 . . . . 0.0 110.683 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 628' ' ' LYS . . . . . . . . . . . . . 7.9 tppt? -124.35 93.28 3.86 Favored 'General case' 0 N--CA 1.499 2.008 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 179.304 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 629' ' ' CYS . . . . . . . . . . . . . 23.5 t -51.02 120.63 5.07 Favored 'General case' 0 N--CA 1.494 1.734 0 CA-C-O 122.355 1.074 . . . . 0.0 111.335 -178.375 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 630' ' ' SER . . . . . . . . . . . . . 23.0 p -143.13 159.29 42.56 Favored 'General case' 0 N--CA 1.493 1.679 0 N-CA-C 107.669 -1.234 . . . . 0.0 107.669 178.466 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 631' ' ' GLU . . . . . 0.466 ' C ' ' H ' ' B' ' 633' ' ' GLY . 43.2 tt0 -61.26 -23.57 65.76 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.401 -1.437 . . . . 0.0 108.688 179.803 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 632' ' ' ARG . . . . . 0.403 ' HB3' HH21 ' B' ' 597' ' ' ARG . 56.6 mtp180 -82.81 27.13 0.55 Allowed 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 107.323 -1.362 . . . . 0.0 107.323 177.823 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 633' ' ' GLY . . . . . 0.466 ' H ' ' C ' ' B' ' 631' ' ' GLU . . . 77.76 -169.62 54.73 Favored Glycine 0 N--CA 1.492 2.367 0 N-CA-C 108.307 -1.917 . . . . 0.0 108.307 -178.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 634' ' ' VAL . . . . . . . . . . . . . 32.8 m -77.94 144.05 11.9 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 O-C-N 120.689 -1.477 . . . . 0.0 109.515 179.506 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 3.7 p -135.09 143.05 38.3 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.19 0 O-C-N 121.016 -1.052 . . . . 0.0 109.644 179.072 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 636' ' ' ILE . . . . . . . . . . . . . 95.4 mt -133.31 152.83 36.2 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 -179.537 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 637' ' ' ASN . . . . . 0.423 ' O ' ' N ' ' B' ' 639' ' ' GLU . 23.5 t-20 -86.52 132.36 33.94 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.224 -0.923 . . . . 0.0 109.419 179.651 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 638' ' ' ALA . . . . . 0.773 ' HB2' HD11 ' B' ' 596' ' ' LEU . . . -50.18 -10.96 0.06 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.735 -0.603 . . . . 0.0 110.587 -179.543 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 639' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' B' ' 637' ' ' ASN . 41.1 tt0 -81.22 -21.88 39.2 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 120.78 -1.2 . . . . 0.0 110.874 -179.268 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 640' ' ' ASP . . . . . . . . . . . . . 51.9 m-20 -84.37 -56.82 3.43 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.187 -1.57 . . . . 0.0 108.088 178.081 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 641' ' ' VAL . . . . . 0.656 HG13 ' N ' ' B' ' 642' ' ' GLN . 7.6 p -51.54 -56.17 6.33 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 120.96 -1.088 . . . . 0.0 108.494 177.779 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 642' ' ' GLN . . . . . 0.656 ' N ' HG13 ' B' ' 641' ' ' VAL . 24.0 mm100 -48.45 -35.73 13.51 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.933 -1.104 . . . . 0.0 109.442 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 643' ' ' LEU . . . . . . . . . . . . . 35.5 tp -77.64 -21.59 51.98 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.147 -0.971 . . . . 0.0 108.549 178.273 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 644' ' ' ALA . . . . . 0.51 ' N ' ' O ' ' B' ' 641' ' ' VAL . . . -88.34 -46.88 8.82 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.939 -1.101 . . . . 0.0 109.36 178.44 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 645' ' ' LEU . . . . . 0.415 HD23 HD22 ' B' ' 619' ' ' LEU . 97.5 mt -66.82 -27.59 67.69 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.958 -1.089 . . . . 0.0 110.032 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 646' ' ' ASN . . . . . 0.406 ' ND2' ' O ' ' B' ' 646' ' ' ASN . 3.3 t30 -88.67 -8.04 55.3 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 120.887 -1.133 . . . . 0.0 109.32 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 647' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -97.6 -8.68 28.42 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.199 -0.938 . . . . 0.0 109.314 179.615 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 648' ' ' HIS . . . . . 0.516 ' NE2' ' OE2' ' B' ' 622' ' ' GLU . 9.9 m-70 -114.04 12.54 17.97 Favored 'General case' 0 N--CA 1.5 2.06 0 O-C-N 121.456 -0.778 . . . . 0.0 109.831 -179.731 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 649' ' ' MET . . . . . . . . . . . . . 6.8 mmt -96.25 144.13 26.71 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.126 -0.984 . . . . 0.0 109.329 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 650' ' ' ASN . . . . . . . . . . . . . 25.9 p-10 . . . . . 0 N--CA 1.49 1.554 0 CA-C-O 118.019 -0.991 . . . . 0.0 109.406 -179.983 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 301' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 . . . . . 0 N--CA 1.496 1.845 0 N-CA-C 106.3 -1.741 . . . . 0.0 106.3 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 302' ' ' PHE . . . . . 0.51 ' CE2' ' SD ' ' A' ' 306' ' ' MET . 19.9 t80 -69.58 -65.37 0.72 Allowed 'General case' 0 C--N 1.299 -1.619 0 CA-C-N 113.387 -1.733 . . . . 0.0 110.024 178.834 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 303' ' ' CYS . . . . . . . . . . . . . 8.5 t -66.71 -51.18 58.93 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.086 -1.009 . . . . 0.0 110.26 -179.515 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 36.0 t -51.52 -25.71 7.12 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.353 -0.842 . . . . 0.0 111.808 -178.519 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -100.23 -14.04 18.64 Favored 'General case' 0 N--CA 1.508 2.452 0 O-C-N 120.806 -1.184 . . . . 0.0 109.12 178.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 306' ' ' MET . . . . . 0.51 ' SD ' ' CE2' ' A' ' 302' ' ' PHE . 12.0 mtp -74.86 -25.24 58.84 Favored 'General case' 0 C--N 1.297 -1.688 0 N-CA-C 106.779 -1.563 . . . . 0.0 106.779 177.197 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 307' ' ' ASN . . . . . 0.461 ' O ' ' C ' ' A' ' 308' ' ' GLN . 0.7 OUTLIER -81.51 -42.85 19.63 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 106.246 -1.761 . . . . 0.0 106.246 179.083 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 308' ' ' GLN . . . . . 0.519 ' O ' ' N ' ' A' ' 310' ' ' CYS . 19.0 mt-30 -35.56 -40.51 0.17 Allowed 'General case' 0 N--CA 1.508 2.452 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 178.563 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 309' ' ' VAL . . . . . 0.42 HG23 ' H ' ' A' ' 309' ' ' VAL . 16.6 t -45.05 -17.64 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.885 0 CA-C-O 121.727 0.775 . . . . 0.0 109.412 178.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 310' ' ' CYS . . . . . 0.519 ' N ' ' O ' ' A' ' 308' ' ' GLN . 13.7 m -83.42 -52.13 6.78 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 179.778 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 311' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.247 0 N-CA-C 109.535 -1.426 . . . . 0.0 109.535 179.914 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 593' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.337 0 N-CA-C 109.638 -1.385 . . . . 0.0 109.638 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 594' ' ' SER . . . . . . . . . . . . . 62.3 m -71.32 164.51 25.58 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.171 -1.193 . . . . 0.0 109.915 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 595' ' ' LEU . . . . . 0.543 HD12 ' N ' ' B' ' 595' ' ' LEU . 7.3 mp -88.4 114.29 24.86 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 121.633 -0.667 . . . . 0.0 109.343 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 596' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -126.05 153.71 44.04 Favored 'General case' 0 N--CA 1.502 2.126 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 179.466 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 597' ' ' ARG . . . . . 0.475 ' H ' ' HG3' ' B' ' 600' ' ' GLU . 62.6 mtm180 -101.53 -134.57 0.3 Allowed 'General case' 0 N--CA 1.501 2.118 0 O-C-N 121.277 -0.889 . . . . 0.0 111.611 -177.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 598' ' ' CYS . . . . . 0.522 ' O ' ' N ' ' B' ' 600' ' ' GLU . 6.1 p -84.79 -102.8 0.05 Allowed 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.553 -0.717 . . . . 0.0 111.464 -177.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 599' ' ' SER . . . . . 0.479 ' O ' ' N ' ' B' ' 602' ' ' TRP . 29.5 t -43.53 -19.58 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.911 0 CA-C-O 121.939 0.876 . . . . 0.0 109.681 -178.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 600' ' ' GLU . . . . . 0.522 ' N ' ' O ' ' B' ' 598' ' ' CYS . 55.3 mm-40 -47.25 -37.21 10.12 Favored 'General case' 0 C--N 1.303 -1.446 0 CA-C-O 122.269 1.033 . . . . 0.0 108.563 179.041 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 601' ' ' ILE . . . . . 0.549 ' O ' ' N ' ' B' ' 604' ' ' ARG . 1.3 mp -71.04 -32.62 48.81 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.07 0 N-CA-C 107.783 -1.191 . . . . 0.0 107.783 -178.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 602' ' ' TRP . . . . . 0.479 ' N ' ' O ' ' B' ' 599' ' ' SER . 61.1 t-105 -44.8 -38.44 4.51 Favored 'General case' 0 N--CA 1.493 1.712 0 N-CA-C 107.465 -1.309 . . . . 0.0 107.465 179.493 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 603' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -69.75 -43.14 72.87 Favored 'General case' 0 C--N 1.302 -1.498 0 N-CA-C 107.8 -1.185 . . . . 0.0 107.8 177.522 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 604' ' ' ARG . . . . . 0.549 ' N ' ' O ' ' B' ' 601' ' ' ILE . 20.6 mmm-85 -56.75 -26.89 58.35 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.346 -0.846 . . . . 0.0 109.244 179.111 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 605' ' ' ILE . . . . . . . . . . . . . 81.0 mt -86.02 -45.75 16.89 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.829 0 O-C-N 121.457 -0.777 . . . . 0.0 110.39 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 606' ' ' THR . . . . . . . . . . . . . 21.8 p . . . . . 0 N--CA 1.49 1.548 0 O-C-N 120.972 -1.08 . . . . 0.0 110.17 -179.133 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 614' ' ' ILE . . . . . 0.405 HG22 ' H ' ' B' ' 615' ' ' ASP . 8.5 mt . . . . . 0 N--CA 1.494 1.74 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 615' ' ' ASP . . . . . 0.405 ' H ' HG22 ' B' ' 614' ' ' ILE . 6.8 m-20 -158.97 95.24 1.27 Allowed 'General case' 0 C--N 1.303 -1.431 0 N-CA-C 107.697 -1.223 . . . . 0.0 107.697 179.663 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 616' ' ' VAL . . . . . . . . . . . . . 26.9 t -82.4 -19.29 10.55 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 121.679 -0.638 . . . . 0.0 110.174 -179.36 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 617' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 -64.88 -45.96 83.79 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.216 -0.928 . . . . 0.0 110.802 -178.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 618' ' ' GLY . . . . . . . . . . . . . . . -66.31 -36.15 91.29 Favored Glycine 0 N--CA 1.494 2.524 0 C-N-CA 119.875 -1.155 . . . . 0.0 110.506 -179.036 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 619' ' ' LEU . . . . . . . . . . . . . 2.7 mt -65.91 -21.32 66.44 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.929 -1.336 . . . . 0.0 108.144 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 620' ' ' CYS . . . . . . . . . . . . . 13.9 t -69.15 -52.44 28.11 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.583 -0.698 . . . . 0.0 110.14 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 97.7 p -83.91 -1.49 54.63 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 120.706 -1.246 . . . . 0.0 110.166 -179.587 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 622' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -100.24 -47.21 5.03 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.04 -1.037 . . . . 0.0 109.629 178.639 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 623' ' ' LEU . . . . . 0.408 HD12 ' N ' ' B' ' 623' ' ' LEU . 10.0 mp -85.42 -18.81 32.56 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 120.819 -1.176 . . . . 0.0 110.067 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 624' ' ' MET . . . . . . . . . . . . . 24.6 ttt -72.87 -26.63 61.52 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.736 -1.227 . . . . 0.0 111.23 -178.675 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 625' ' ' ALA . . . . . . . . . . . . . . . -105.52 -26.77 11.76 Favored 'General case' 0 N--CA 1.504 2.231 0 O-C-N 120.887 -1.133 . . . . 0.0 109.471 179.706 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 626' ' ' LYS . . . . . . . . . . . . . 35.6 mmtm -65.15 -12.79 54.78 Favored 'General case' 0 C--N 1.3 -1.57 0 N-CA-C 106.243 -1.762 . . . . 0.0 106.243 177.017 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 627' ' ' ALA . . . . . . . . . . . . . . . -46.4 140.8 3.94 Favored 'General case' 0 N--CA 1.492 1.669 0 CA-C-N 114.979 -1.01 . . . . 0.0 111.421 -179.688 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 628' ' ' LYS . . . . . . . . . . . . . 79.0 mttt -119.0 96.36 5.21 Favored 'General case' 0 N--CA 1.498 1.927 0 N-CA-C 108.15 -1.056 . . . . 0.0 108.15 178.461 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 629' ' ' CYS . . . . . . . . . . . . . 38.9 t -54.98 116.32 2.69 Favored 'General case' 0 N--CA 1.493 1.716 0 CA-C-O 122.333 1.063 . . . . 0.0 111.9 -178.19 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 630' ' ' SER . . . . . . . . . . . . . 47.1 t -142.89 158.92 43.15 Favored 'General case' 0 N--CA 1.496 1.866 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 178.281 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 631' ' ' GLU . . . . . 0.524 ' C ' ' H ' ' B' ' 633' ' ' GLY . 9.9 mm-40 -64.21 -22.98 67.15 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.26 -1.525 . . . . 0.0 109.249 -179.763 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 632' ' ' ARG . . . . . 0.585 ' CG ' HH11 ' B' ' 632' ' ' ARG . 0.2 OUTLIER -78.06 33.61 0.19 Allowed 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 107.498 -1.297 . . . . 0.0 107.498 177.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 633' ' ' GLY . . . . . 0.524 ' H ' ' C ' ' B' ' 631' ' ' GLU . . . 71.37 -170.13 48.57 Favored Glycine 0 N--CA 1.489 2.169 0 N-CA-C 107.176 -2.37 . . . . 0.0 107.176 -178.329 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 634' ' ' VAL . . . . . . . . . . . . . 7.7 p -77.85 141.95 14.83 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.43 0 O-C-N 120.235 -1.744 . . . . 0.0 109.649 179.68 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 34.6 m -136.07 138.52 47.21 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.029 0 O-C-N 121.104 -0.997 . . . . 0.0 108.93 178.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 636' ' ' ILE . . . . . 0.407 HG22 ' N ' ' B' ' 637' ' ' ASN . 92.6 mt -133.38 154.73 39.57 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.856 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 -179.475 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 637' ' ' ASN . . . . . 0.523 ' O ' ' N ' ' B' ' 639' ' ' GLU . 16.9 m120 -87.56 133.88 33.72 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.162 -0.962 . . . . 0.0 110.119 -179.578 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -47.68 -9.55 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.713 -0.617 . . . . 0.0 110.585 179.472 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 639' ' ' GLU . . . . . 0.523 ' N ' ' O ' ' B' ' 637' ' ' ASN . 40.1 tt0 -76.62 -19.86 57.36 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.026 -1.046 . . . . 0.0 110.077 179.363 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 640' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -87.04 -49.14 7.53 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 120.249 -1.532 . . . . 0.0 109.417 178.218 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 641' ' ' VAL . . . . . 0.412 HG12 ' H ' ' B' ' 641' ' ' VAL . 0.7 OUTLIER -62.88 -49.47 83.5 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 120.699 -1.25 . . . . 0.0 109.195 179.291 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 642' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.67 -36.35 69.48 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.795 -1.191 . . . . 0.0 109.877 -179.316 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 643' ' ' LEU . . . . . 0.545 ' O ' HD23 ' B' ' 643' ' ' LEU . 1.0 OUTLIER -79.16 -17.91 54.09 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.886 -1.134 . . . . 0.0 108.505 178.464 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 644' ' ' ALA . . . . . . . . . . . . . . . -87.98 -54.35 4.27 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.791 -1.193 . . . . 0.0 109.298 178.366 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 645' ' ' LEU . . . . . . . . . . . . . 77.4 mt -61.89 -24.69 67.1 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.162 -0.961 . . . . 0.0 110.475 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 646' ' ' ASN . . . . . 0.413 ' OD1' ' N ' ' B' ' 647' ' ' LYS . 43.8 p-10 -92.56 -10.43 37.64 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 120.778 -1.201 . . . . 0.0 109.944 -179.807 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 647' ' ' LYS . . . . . 0.427 ' CB ' ' HZ2' ' B' ' 647' ' ' LYS . 7.6 ttpm? -103.55 -11.74 17.56 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.36 -0.838 . . . . 0.0 109.497 -179.715 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 648' ' ' HIS . . . . . . . . . . . . . 81.8 m-70 -111.56 6.09 19.84 Favored 'General case' 0 N--CA 1.496 1.857 0 N-CA-C 108.949 -0.759 . . . . 0.0 108.949 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 649' ' ' MET . . . . . . . . . . . . . 34.4 ttm -96.53 129.5 43.89 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.421 -0.799 . . . . 0.0 109.522 -179.709 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 650' ' ' ASN . . . . . 0.448 HD22 ' C ' ' B' ' 650' ' ' ASN . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.549 0 CA-C-O 117.942 -1.027 . . . . 0.0 109.474 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 301' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 . . . . . 0 N--CA 1.494 1.75 0 N-CA-C 107.051 -1.463 . . . . 0.0 107.051 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 302' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -73.89 -66.26 0.73 Allowed 'General case' 0 C--N 1.302 -1.488 0 CA-C-N 114.588 -1.187 . . . . 0.0 109.812 178.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 303' ' ' CYS . . . . . 0.407 ' O ' ' N ' ' A' ' 306' ' ' MET . 4.4 t -67.07 -49.71 64.18 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.182 -0.949 . . . . 0.0 108.874 179.685 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 35.5 t -50.09 -24.57 2.78 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.394 -0.816 . . . . 0.0 110.104 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 305' ' ' LYS . . . . . 0.429 ' HB3' ' HZ2' ' A' ' 305' ' ' LYS . 16.6 ttpp -101.22 -14.21 17.79 Favored 'General case' 0 N--CA 1.502 2.13 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 178.063 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 306' ' ' MET . . . . . 0.407 ' N ' ' O ' ' A' ' 303' ' ' CYS . 3.9 tpp -72.88 -25.07 60.95 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 107.262 -1.384 . . . . 0.0 107.262 177.238 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 307' ' ' ASN . . . . . 0.449 ' O ' ' C ' ' A' ' 308' ' ' GLN . 1.2 t30 -87.34 -40.79 14.14 Favored 'General case' 0 N--CA 1.494 1.756 0 N-CA-C 106.436 -1.69 . . . . 0.0 106.436 178.539 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 308' ' ' GLN . . . . . 0.522 ' O ' ' N ' ' A' ' 310' ' ' CYS . 32.9 tt0 -34.92 -40.35 0.11 Allowed 'General case' 0 N--CA 1.504 2.229 0 CA-C-O 121.337 0.589 . . . . 0.0 109.656 178.539 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 309' ' ' VAL . . . . . 0.612 HG21 ' O ' ' B' ' 624' ' ' MET . 53.0 t -46.48 -14.92 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.857 0 CA-C-O 121.667 0.746 . . . . 0.0 109.444 179.217 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 310' ' ' CYS . . . . . 0.522 ' N ' ' O ' ' A' ' 308' ' ' GLN . 3.3 m -86.03 22.93 1.6 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.469 -0.769 . . . . 0.0 109.18 179.234 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 311' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.543 0 N-CA-C 109.404 -1.478 . . . . 0.0 109.404 179.624 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 593' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.314 0 N-CA-C 109.517 -1.433 . . . . 0.0 109.517 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 594' ' ' SER . . . . . . . . . . . . . 72.3 m -90.37 166.01 13.53 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.192 -1.181 . . . . 0.0 110.151 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 595' ' ' LEU . . . . . 0.534 HD22 ' N ' ' B' ' 595' ' ' LEU . 3.8 mm? -96.07 123.46 39.69 Favored 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 179.815 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 596' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -128.18 157.54 40.54 Favored 'General case' 0 N--CA 1.502 2.126 0 O-C-N 121.412 -0.805 . . . . 0.0 109.241 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 597' ' ' ARG . . . . . 0.435 ' H ' ' CB ' ' B' ' 600' ' ' GLU . 48.3 mtm180 -107.42 -147.84 0.41 Allowed 'General case' 0 N--CA 1.503 2.195 0 CA-C-O 121.985 0.897 . . . . 0.0 111.705 -178.046 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 598' ' ' CYS . . . . . 0.61 ' SG ' ' N ' ' B' ' 599' ' ' SER . 6.2 t -70.98 -100.33 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.858 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.011 -178.292 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 599' ' ' SER . . . . . 0.61 ' N ' ' SG ' ' B' ' 598' ' ' CYS . 95.4 p -45.34 -18.31 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.974 0 CA-C-O 122.337 1.065 . . . . 0.0 109.346 -179.335 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 600' ' ' GLU . . . . . 0.511 ' N ' ' O ' ' B' ' 598' ' ' CYS . 2.2 tm-20 -50.51 -40.44 51.44 Favored 'General case' 0 C--N 1.297 -1.711 0 CA-C-O 122.437 1.113 . . . . 0.0 108.684 179.418 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 601' ' ' ILE . . . . . 0.542 ' O ' ' N ' ' B' ' 604' ' ' ARG . 1.1 mp -68.53 -38.23 78.85 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.132 0 C-N-CA 119.949 -0.7 . . . . 0.0 109.184 -177.27 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 602' ' ' TRP . . . . . 0.419 ' C ' ' O ' ' B' ' 601' ' ' ILE . 0.0 OUTLIER -44.73 -38.63 4.56 Favored 'General case' 0 N--CA 1.496 1.829 0 N-CA-C 107.366 -1.346 . . . . 0.0 107.366 -179.77 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 603' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -66.57 -42.75 86.57 Favored 'General case' 0 N--CA 1.486 1.363 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 177.528 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 604' ' ' ARG . . . . . 0.542 ' N ' ' O ' ' B' ' 601' ' ' ILE . 20.8 mmm180 -57.53 -34.65 69.35 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.385 -0.822 . . . . 0.0 109.371 179.129 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 605' ' ' ILE . . . . . . . . . . . . . 82.1 mt -83.29 -46.75 18.55 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.87 0 O-C-N 121.581 -0.7 . . . . 0.0 111.128 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 606' ' ' THR . . . . . . . . . . . . . 57.7 p . . . . . 0 N--CA 1.491 1.578 0 O-C-N 120.476 -1.39 . . . . 0.0 110.393 -178.727 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 614' ' ' ILE . . . . . 0.446 HG22 ' H ' ' B' ' 615' ' ' ASP . 5.9 mm . . . . . 0 N--CA 1.491 1.613 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 615' ' ' ASP . . . . . 0.446 ' H ' HG22 ' B' ' 614' ' ' ILE . 22.0 t70 -170.26 94.48 0.23 Allowed 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 107.252 -1.388 . . . . 0.0 107.252 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 616' ' ' VAL . . . . . . . . . . . . . 14.4 t -80.8 -29.28 11.57 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.58 0 O-C-N 121.436 -0.79 . . . . 0.0 109.795 -179.205 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 617' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -65.78 -53.34 41.71 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.138 -0.976 . . . . 0.0 110.982 -178.592 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 618' ' ' GLY . . . . . . . . . . . . . . . -66.92 -40.08 93.44 Favored Glycine 0 N--CA 1.493 2.451 0 N-CA-C 109.546 -1.422 . . . . 0.0 109.546 -179.527 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 619' ' ' LEU . . . . . 0.645 HD23 ' C ' ' B' ' 619' ' ' LEU . 0.3 OUTLIER -63.13 -18.08 63.04 Favored 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 107.867 -1.16 . . . . 0.0 107.867 179.431 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 620' ' ' CYS . . . . . 0.468 ' O ' ' CG ' ' B' ' 624' ' ' MET . 10.8 t -74.13 -48.57 28.59 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.114 -0.991 . . . . 0.0 110.949 -179.511 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 21.3 t -82.75 -2.5 54.53 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 120.755 -1.215 . . . . 0.0 109.931 -179.418 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 622' ' ' GLU . . . . . 0.508 ' OE2' ' NE2' ' B' ' 648' ' ' HIS . 84.9 mt-10 -101.87 -42.4 6.16 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.234 -0.916 . . . . 0.0 109.806 178.539 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 623' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -86.36 -24.32 25.86 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 120.646 -1.284 . . . . 0.0 110.114 -179.456 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 624' ' ' MET . . . . . 0.612 ' O ' HG21 ' A' ' 309' ' ' VAL . 3.2 ppp? -76.1 -24.67 55.01 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.782 -1.199 . . . . 0.0 111.943 -177.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 625' ' ' ALA . . . . . . . . . . . . . . . -102.6 -26.41 13.22 Favored 'General case' 0 N--CA 1.505 2.294 0 O-C-N 120.61 -1.306 . . . . 0.0 108.972 179.535 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 626' ' ' LYS . . . . . . . . . . . . . 64.4 mttm -71.73 -9.22 57.96 Favored 'General case' 0 C--N 1.296 -1.724 0 N-CA-C 105.742 -1.947 . . . . 0.0 105.742 176.333 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 627' ' ' ALA . . . . . . . . . . . . . . . -44.56 134.3 5.39 Favored 'General case' 0 N--CA 1.49 1.552 0 CA-C-N 115.008 -0.996 . . . . 0.0 111.481 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 628' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? -98.8 87.89 3.88 Favored 'General case' 0 N--CA 1.493 1.684 0 N-CA-C 107.419 -1.326 . . . . 0.0 107.419 178.033 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 629' ' ' CYS . . . . . . . . . . . . . 49.5 t -57.21 130.35 45.79 Favored 'General case' 0 N--CA 1.491 1.603 0 CA-C-O 122.44 1.114 . . . . 0.0 111.698 -177.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 630' ' ' SER . . . . . . . . . . . . . 5.1 t -142.45 162.69 34.82 Favored 'General case' 0 N--CA 1.493 1.71 0 N-CA-C 107.453 -1.314 . . . . 0.0 107.453 178.715 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 631' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -66.41 -26.46 67.25 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.311 -1.493 . . . . 0.0 109.227 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 65.3 ttt180 -77.72 -16.23 58.59 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 108.226 -1.027 . . . . 0.0 108.226 178.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 633' ' ' GLY . . . . . . . . . . . . . . . 132.67 -176.32 19.52 Favored Glycine 0 N--CA 1.497 2.725 0 N-CA-C 108.564 -1.814 . . . . 0.0 108.564 -179.667 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 634' ' ' VAL . . . . . . . . . . . . . 33.0 m -78.52 161.62 4.25 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.391 0 O-C-N 120.774 -1.427 . . . . 0.0 109.816 179.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 2.6 t -143.04 133.97 23.14 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.005 0 N-CA-C 108.153 -1.055 . . . . 0.0 108.153 177.147 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 636' ' ' ILE . . . . . . . . . . . . . 17.4 mm -110.45 136.86 45.15 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.955 0 O-C-N 121.686 -0.634 . . . . 0.0 110.303 -178.355 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 637' ' ' ASN . . . . . 0.519 ' O ' ' N ' ' B' ' 639' ' ' GLU . 36.0 t-20 -89.04 133.67 34.27 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.956 -1.09 . . . . 0.0 108.208 178.294 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -46.21 -12.57 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.48 -0.762 . . . . 0.0 111.1 -178.425 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 639' ' ' GLU . . . . . 0.519 ' N ' ' O ' ' B' ' 637' ' ' ASN . 17.5 tp10 -82.14 -21.44 36.61 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.932 -1.105 . . . . 0.0 110.945 -179.093 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 640' ' ' ASP . . . . . 0.407 ' O ' ' N ' ' B' ' 644' ' ' ALA . 18.7 m-20 -86.83 -45.82 10.52 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 120.357 -1.464 . . . . 0.0 108.752 178.362 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 641' ' ' VAL . . . . . 0.639 HG13 ' N ' ' B' ' 642' ' ' GLN . 13.2 p -64.24 -51.93 62.28 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.588 0 O-C-N 120.763 -1.21 . . . . 0.0 108.268 178.249 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 642' ' ' GLN . . . . . 0.639 ' N ' HG13 ' B' ' 641' ' ' VAL . 10.8 tm0? -54.85 -33.77 62.14 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.114 -0.991 . . . . 0.0 109.017 179.708 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 643' ' ' LEU . . . . . . . . . . . . . 51.9 tp -84.37 -26.37 28.44 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.307 -0.87 . . . . 0.0 109.175 179.405 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 644' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' B' ' 640' ' ' ASP . . . -87.12 -30.09 21.35 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.817 -1.177 . . . . 0.0 109.381 179.012 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 645' ' ' LEU . . . . . 0.474 HD12 HG22 ' B' ' 641' ' ' VAL . 36.2 mt -87.19 -22.52 25.23 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 120.845 -1.16 . . . . 0.0 109.685 179.412 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 646' ' ' ASN . . . . . . . . . . . . . 18.6 t30 -91.45 -11.29 38.04 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 120.78 -1.2 . . . . 0.0 110.368 -179.523 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 647' ' ' LYS . . . . . . . . . . . . . 30.4 ttmt -93.41 -7.86 43.37 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 120.952 -1.092 . . . . 0.0 109.484 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 648' ' ' HIS . . . . . 0.508 ' NE2' ' OE2' ' B' ' 622' ' ' GLU . 7.3 m-70 -112.55 17.56 19.12 Favored 'General case' 0 N--CA 1.5 2.075 0 O-C-N 121.278 -0.889 . . . . 0.0 109.91 -179.819 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 649' ' ' MET . . . . . . . . . . . . . 17.7 mtt -97.09 99.96 11.46 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.097 -1.002 . . . . 0.0 109.218 179.645 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 650' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 . . . . . 0 N--CA 1.49 1.554 0 CA-C-O 118.025 -0.988 . . . . 0.0 109.444 -179.976 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 301' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 . . . . . 0 N--CA 1.492 1.633 0 N-CA-C 106.304 -1.739 . . . . 0.0 106.304 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 302' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -71.66 -59.12 2.92 Favored 'General case' 0 C--N 1.305 -1.361 0 CA-C-N 114.251 -1.341 . . . . 0.0 109.791 179.014 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 303' ' ' CYS . . . . . . . . . . . . . 1.8 t -75.93 -41.28 52.21 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.253 -0.905 . . . . 0.0 109.505 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 7.1 p -52.36 -29.44 23.86 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.43 -0.794 . . . . 0.0 110.441 -179.397 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -98.71 -13.95 20.0 Favored 'General case' 0 N--CA 1.502 2.163 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 178.363 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 306' ' ' MET . . . . . . . . . . . . . 40.7 ttm -74.83 -26.48 59.74 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 120.461 -1.4 . . . . 0.0 107.272 177.085 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 307' ' ' ASN . . . . . 0.437 ' O ' ' C ' ' A' ' 308' ' ' GLN . 19.4 t-20 -80.09 -41.91 24.63 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 105.932 -1.877 . . . . 0.0 105.932 178.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 308' ' ' GLN . . . . . 0.526 ' O ' ' N ' ' A' ' 310' ' ' CYS . 44.6 tt0 -36.29 -41.04 0.25 Allowed 'General case' 0 N--CA 1.502 2.153 0 CA-C-O 121.449 0.642 . . . . 0.0 109.431 178.338 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 309' ' ' VAL . . . . . 0.406 ' H ' HG23 ' A' ' 309' ' ' VAL . 20.0 t -46.24 -15.48 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.879 0 CA-C-O 121.686 0.755 . . . . 0.0 109.31 179.047 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 310' ' ' CYS . . . . . 0.526 ' N ' ' O ' ' A' ' 308' ' ' GLN . 33.7 m -87.61 -30.43 20.48 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.647 -0.658 . . . . 0.0 109.454 179.474 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 311' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 308' ' ' GLN . . . . . . . . 0 N--CA 1.491 2.305 0 N-CA-C 109.63 -1.388 . . . . 0.0 109.63 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 593' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.475 0 N-CA-C 109.35 -1.5 . . . . 0.0 109.35 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 594' ' ' SER . . . . . . . . . . . . . 64.8 m -80.4 164.96 22.69 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.116 -1.226 . . . . 0.0 110.176 -179.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 595' ' ' LEU . . . . . 0.566 HD12 ' N ' ' B' ' 595' ' ' LEU . 7.3 mp -89.79 118.45 29.4 Favored 'General case' 0 C--N 1.299 -1.62 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 179.718 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 596' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -125.86 148.81 49.06 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.41 -0.806 . . . . 0.0 109.411 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 597' ' ' ARG . . . . . 0.559 ' H ' ' NE ' ' B' ' 597' ' ' ARG . 0.1 OUTLIER -73.66 -173.74 1.56 Allowed 'General case' 0 N--CA 1.494 1.77 0 CA-C-O 122.025 0.917 . . . . 0.0 110.763 -179.235 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 598' ' ' CYS . . . . . . . . . . . . . 2.5 p -71.46 -88.45 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.756 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.746 -177.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 13.5 t -43.09 -26.73 0.17 Allowed 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.452 -0.78 . . . . 0.0 110.406 -178.188 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 600' ' ' GLU . . . . . 0.505 ' CD ' ' HE ' ' B' ' 597' ' ' ARG . 77.2 mt-10 -56.29 -23.05 34.14 Favored 'General case' 0 C--N 1.302 -1.483 0 C-N-CA 118.266 -1.374 . . . . 0.0 107.854 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 601' ' ' ILE . . . . . 0.585 ' O ' ' N ' ' B' ' 604' ' ' ARG . 1.3 mp -73.0 -36.03 50.09 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.139 0 N-CA-C 106.676 -1.601 . . . . 0.0 106.676 179.322 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 602' ' ' TRP . . . . . 0.408 ' C ' ' O ' ' B' ' 601' ' ' ILE . 48.0 t-105 -46.4 -35.04 5.13 Favored 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 106.944 -1.502 . . . . 0.0 106.944 178.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 603' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -69.59 -39.46 77.29 Favored 'General case' 0 C--N 1.304 -1.396 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 177.555 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 604' ' ' ARG . . . . . 0.585 ' N ' ' O ' ' B' ' 601' ' ' ILE . 21.5 mmm180 -57.98 -28.43 64.38 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.285 -0.884 . . . . 0.0 109.457 179.095 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 605' ' ' ILE . . . . . 0.484 ' N ' HD12 ' B' ' 605' ' ' ILE . 1.9 mp -86.18 -45.28 16.85 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.885 0 O-C-N 121.313 -0.867 . . . . 0.0 110.411 -179.224 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 606' ' ' THR . . . . . . . . . . . . . 40.4 p . . . . . 0 N--CA 1.491 1.607 0 O-C-N 120.89 -1.131 . . . . 0.0 110.188 -178.793 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 614' ' ' ILE . . . . . 0.501 HG22 ' O ' ' B' ' 614' ' ' ILE . 56.7 mt . . . . . 0 N--CA 1.495 1.811 0 CA-C-O 120.716 0.294 . . . . 0.0 111.117 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 615' ' ' ASP . . . . . . . . . . . . . 40.3 t0 54.3 88.46 0.04 OUTLIER 'General case' 0 N--CA 1.487 1.411 0 O-C-N 120.346 -1.471 . . . . 0.0 108.986 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 616' ' ' VAL . . . . . . . . . . . . . 28.4 m -72.38 -26.47 24.52 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 O-C-N 121.277 -0.889 . . . . 0.0 108.897 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 617' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -76.32 -40.08 52.36 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.433 -0.792 . . . . 0.0 110.109 -179.5 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 618' ' ' GLY . . . . . . . . . . . . . . . -70.7 -46.24 47.77 Favored Glycine 0 N--CA 1.488 2.156 0 C-N-CA 119.607 -1.282 . . . . 0.0 110.053 -179.681 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 619' ' ' LEU . . . . . 0.684 ' C ' HD12 ' B' ' 619' ' ' LEU . 1.8 pp -65.46 -19.67 66.03 Favored 'General case' 0 N--CA 1.486 1.329 0 O-C-N 120.826 -1.396 . . . . 0.0 108.561 -179.774 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 620' ' ' CYS . . . . . . . . . . . . . 48.7 t -71.81 -49.24 40.35 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.453 -0.779 . . . . 0.0 109.741 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 95.0 p -76.9 -2.15 32.08 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.854 -1.154 . . . . 0.0 108.705 179.408 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 622' ' ' GLU . . . . . . . . . . . . . 54.6 tt0 -100.6 -60.11 1.58 Allowed 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 176.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 623' ' ' LEU . . . . . . . . . . . . . 4.3 tp -61.4 -32.46 72.4 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.116 -0.99 . . . . 0.0 109.879 179.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 624' ' ' MET . . . . . . . . . . . . . 18.0 ttt -75.2 -28.22 59.9 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.289 -0.882 . . . . 0.0 112.408 -177.682 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 625' ' ' ALA . . . . . . . . . . . . . . . -102.64 -16.65 15.98 Favored 'General case' 0 N--CA 1.508 2.462 0 O-C-N 120.723 -1.235 . . . . 0.0 109.878 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 626' ' ' LYS . . . . . . . . . . . . . 5.8 mptp? -75.42 -4.28 38.57 Favored 'General case' 0 C--N 1.299 -1.59 0 N-CA-C 105.277 -2.12 . . . . 0.0 105.277 176.141 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 627' ' ' ALA . . . . . . . . . . . . . . . -42.56 135.28 2.85 Favored 'General case' 0 N--CA 1.492 1.64 0 CA-C-N 115.129 -0.942 . . . . 0.0 111.745 -179.478 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 628' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -107.2 91.77 3.8 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 107.549 -1.278 . . . . 0.0 107.549 178.264 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 629' ' ' CYS . . . . . . . . . . . . . 25.0 t -58.31 122.17 12.59 Favored 'General case' 0 N--CA 1.493 1.698 0 CA-C-O 122.53 1.157 . . . . 0.0 111.799 -177.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 630' ' ' SER . . . . . . . . . . . . . 46.9 t -142.91 160.94 39.39 Favored 'General case' 0 N--CA 1.495 1.784 0 N-CA-C 107.515 -1.291 . . . . 0.0 107.515 178.446 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 631' ' ' GLU . . . . . 0.517 ' C ' ' H ' ' B' ' 633' ' ' GLY . 10.4 mm-40 -64.98 -21.08 66.79 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.28 -1.513 . . . . 0.0 109.243 -179.737 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 21.3 mmm180 -79.58 33.44 0.25 Allowed 'General case' 0 N--CA 1.493 1.684 0 N-CA-C 107.181 -1.415 . . . . 0.0 107.181 177.651 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 633' ' ' GLY . . . . . 0.517 ' H ' ' C ' ' B' ' 631' ' ' GLU . . . 72.62 -168.1 53.2 Favored Glycine 0 N--CA 1.491 2.311 0 N-CA-C 107.294 -2.322 . . . . 0.0 107.294 -178.256 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 634' ' ' VAL . . . . . . . . . . . . . 7.9 p -78.59 148.82 5.93 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.407 0 O-C-N 120.239 -1.742 . . . . 0.0 109.523 179.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 33.3 m -139.66 138.26 39.28 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.922 0 O-C-N 121.107 -0.996 . . . . 0.0 108.524 178.334 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 636' ' ' ILE . . . . . . . . . . . . . 22.1 mm -114.57 137.15 48.9 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.902 0 O-C-N 121.669 -0.644 . . . . 0.0 109.515 -179.259 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 637' ' ' ASN . . . . . 0.509 ' O ' ' N ' ' B' ' 639' ' ' GLU . 9.4 m-80 -83.54 133.02 34.89 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.745 -1.222 . . . . 0.0 107.93 178.466 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -45.76 -14.92 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.512 -0.742 . . . . 0.0 110.846 -177.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 639' ' ' GLU . . . . . 0.509 ' N ' ' O ' ' B' ' 637' ' ' ASN . 66.4 mt-10 -84.14 -21.98 31.2 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.031 -1.043 . . . . 0.0 111.14 -178.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 640' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -84.12 -42.23 16.26 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 120.268 -1.52 . . . . 0.0 108.135 178.559 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 641' ' ' VAL . . . . . 0.607 HG13 ' N ' ' B' ' 642' ' ' GLN . 7.4 p -61.88 -51.43 72.7 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.544 0 N-CA-C 107.823 -1.177 . . . . 0.0 107.823 177.19 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 642' ' ' GLN . . . . . 0.607 ' N ' HG13 ' B' ' 641' ' ' VAL . 76.0 mt-30 -52.37 -33.98 45.62 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.082 -1.011 . . . . 0.0 109.647 179.718 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 643' ' ' LEU . . . . . . . . . . . . . 19.2 mt -81.13 -25.99 36.47 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.141 -0.974 . . . . 0.0 109.357 179.347 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 644' ' ' ALA . . . . . . . . . . . . . . . -87.47 -28.91 21.78 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.493 -1.379 . . . . 0.0 109.643 179.255 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 645' ' ' LEU . . . . . 0.475 ' O ' ' N ' ' B' ' 647' ' ' LYS . 41.9 mt -89.07 -69.31 0.72 Allowed 'General case' 0 N--CA 1.498 1.93 0 O-C-N 120.645 -1.284 . . . . 0.0 109.947 179.644 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 646' ' ' ASN . . . . . . . . . . . . . 65.9 m-20 -47.16 -15.54 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.287 -0.883 . . . . 0.0 110.392 -178.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 647' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' B' ' 645' ' ' LEU . 30.4 tttm -89.53 163.31 15.27 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.052 -1.03 . . . . 0.0 110.013 -179.486 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 648' ' ' HIS . . . . . . . . . . . . . 17.8 m-70 65.69 27.81 11.23 Favored 'General case' 0 N--CA 1.493 1.692 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 -179.579 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 649' ' ' MET . . . . . . . . . . . . . 7.2 mmt -95.76 136.75 35.76 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.239 -0.913 . . . . 0.0 109.431 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 650' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 . . . . . 0 N--CA 1.49 1.566 0 CA-C-O 118.006 -0.997 . . . . 0.0 109.392 -179.922 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 301' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 . . . . . 0 N--CA 1.497 1.891 0 N-CA-C 106.59 -1.633 . . . . 0.0 106.59 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 302' ' ' PHE . . . . . . . . . . . . . 81.3 t80 -70.34 -64.53 0.88 Allowed 'General case' 0 C--N 1.298 -1.641 0 CA-C-N 113.658 -1.61 . . . . 0.0 109.192 178.427 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 303' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -68.48 -48.6 64.03 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.335 -0.853 . . . . 0.0 109.041 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 18.9 m -48.68 -22.47 0.79 Allowed 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.432 -0.792 . . . . 0.0 110.668 -179.567 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . 62.7 mmtt -101.74 -14.41 17.35 Favored 'General case' 0 N--CA 1.505 2.313 0 O-C-N 120.948 -1.095 . . . . 0.0 109.09 178.412 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 306' ' ' MET . . . . . . . . . . . . . 9.9 mmm -74.25 -24.28 59.27 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 120.438 -1.414 . . . . 0.0 107.343 177.071 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 307' ' ' ASN . . . . . 0.447 ' O ' ' C ' ' A' ' 308' ' ' GLN . 50.7 t-20 -86.37 -41.04 14.82 Favored 'General case' 0 N--CA 1.493 1.717 0 N-CA-C 106.184 -1.784 . . . . 0.0 106.184 178.31 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 308' ' ' GLN . . . . . 0.531 ' O ' ' N ' ' A' ' 310' ' ' CYS . 9.3 tp-100 -35.57 -39.6 0.14 Allowed 'General case' 0 N--CA 1.504 2.241 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.372 178.819 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 309' ' ' VAL . . . . . 0.425 ' H ' HG23 ' A' ' 309' ' ' VAL . 4.0 t -46.33 -15.18 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.91 0 C-N-CA 119.819 -0.752 . . . . 0.0 109.364 178.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 310' ' ' CYS . . . . . 0.531 ' N ' ' O ' ' A' ' 308' ' ' GLN . 6.7 m -88.18 -38.76 15.05 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.5 -0.75 . . . . 0.0 109.313 179.388 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 311' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.411 0 N-CA-C 109.578 -1.409 . . . . 0.0 109.578 179.956 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 593' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.442 0 N-CA-C 109.054 -1.618 . . . . 0.0 109.054 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 594' ' ' SER . . . . . . . . . . . . . 45.7 m -81.41 159.45 24.3 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.21 -1.171 . . . . 0.0 110.188 -179.452 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 595' ' ' LEU . . . . . 0.545 HD12 ' N ' ' B' ' 595' ' ' LEU . 8.7 mp -73.6 121.65 21.01 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 108.085 -1.08 . . . . 0.0 108.085 179.078 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 596' ' ' LEU . . . . . 0.514 ' O ' ' N ' ' B' ' 636' ' ' ILE . 9.7 mt -127.96 144.27 51.1 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.416 -0.803 . . . . 0.0 109.357 -178.611 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 597' ' ' ARG . . . . . . . . . . . . . 46.4 mtm180 -87.07 -146.17 0.13 Allowed 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.195 -0.94 . . . . 0.0 110.769 -179.036 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 598' ' ' CYS . . . . . 0.664 ' SG ' ' N ' ' B' ' 599' ' ' SER . 0.0 OUTLIER -90.88 -72.73 0.56 Allowed 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.355 -0.841 . . . . 0.0 109.929 -178.606 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 599' ' ' SER . . . . . 0.664 ' N ' ' SG ' ' B' ' 598' ' ' CYS . 39.7 t -52.9 -27.61 19.46 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.579 -1.326 . . . . 0.0 107.909 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 600' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -46.83 -39.76 12.54 Favored 'General case' 0 C--N 1.3 -1.549 0 CA-C-O 122.332 1.063 . . . . 0.0 108.75 179.232 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 601' ' ' ILE . . . . . 0.605 ' O ' ' N ' ' B' ' 604' ' ' ARG . 1.5 mp -70.19 -33.16 53.5 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.189 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 -178.302 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 602' ' ' TRP . . . . . 0.434 ' N ' ' O ' ' B' ' 599' ' ' SER . 58.9 t-105 -44.13 -38.83 3.89 Favored 'General case' 0 N--CA 1.494 1.77 0 N-CA-C 107.582 -1.266 . . . . 0.0 107.582 179.399 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 603' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -68.69 -41.44 79.19 Favored 'General case' 0 C--N 1.303 -1.413 0 N-CA-C 107.563 -1.273 . . . . 0.0 107.563 177.211 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 604' ' ' ARG . . . . . 0.605 ' N ' ' O ' ' B' ' 601' ' ' ILE . 3.8 mmp_? -58.62 -21.56 53.92 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.424 -0.798 . . . . 0.0 109.532 178.824 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 605' ' ' ILE . . . . . . . . . . . . . 20.9 mm -88.35 -49.21 14.51 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.129 0 O-C-N 121.287 -0.883 . . . . 0.0 110.738 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 606' ' ' THR . . . . . . . . . . . . . 63.8 p . . . . . 0 N--CA 1.494 1.775 0 O-C-N 121.199 -0.938 . . . . 0.0 110.89 -178.375 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 614' ' ' ILE . . . . . 0.552 HG22 ' O ' ' B' ' 614' ' ' ILE . 38.5 mt . . . . . 0 N--CA 1.498 1.941 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 615' ' ' ASP . . . . . . . . . . . . . 12.4 t70 59.1 86.56 0.09 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 120.583 -1.323 . . . . 0.0 108.202 -179.699 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 616' ' ' VAL . . . . . . . . . . . . . 4.3 p -81.03 -22.34 10.87 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 O-C-N 121.547 -0.721 . . . . 0.0 109.694 -179.567 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 617' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -70.6 -43.71 68.79 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.283 -0.886 . . . . 0.0 110.328 -179.624 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 618' ' ' GLY . . . . . . . . . . . . . . . -70.03 -52.36 19.16 Favored Glycine 0 N--CA 1.491 2.353 0 N-CA-C 109.862 -1.295 . . . . 0.0 109.862 -179.59 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 619' ' ' LEU . . . . . 0.715 ' C ' HD12 ' B' ' 619' ' ' LEU . 0.7 OUTLIER -56.56 -19.26 14.95 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.185 -1.185 . . . . 0.0 108.899 -179.923 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 620' ' ' CYS . . . . . . . . . . . . . 41.8 t -74.08 -45.24 50.5 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.072 -1.018 . . . . 0.0 110.228 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 16.9 m -79.56 -0.17 32.36 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 120.822 -1.174 . . . . 0.0 109.24 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 622' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 -90.19 -43.84 10.15 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.43 -0.794 . . . . 0.0 109.779 177.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 623' ' ' LEU . . . . . . . . . . . . . 9.4 mp -85.99 -21.97 27.55 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 120.914 -1.116 . . . . 0.0 110.097 -179.281 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 624' ' ' MET . . . . . . . . . . . . . 15.0 ttt -61.04 -34.88 75.57 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.068 -1.02 . . . . 0.0 111.478 -178.598 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 625' ' ' ALA . . . . . 0.475 ' C ' ' N ' ' B' ' 627' ' ' ALA . . . -105.29 -33.61 8.15 Favored 'General case' 0 N--CA 1.505 2.318 0 O-C-N 120.888 -1.132 . . . . 0.0 110.081 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 626' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -61.24 -11.28 8.86 Favored 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 106.059 -1.83 . . . . 0.0 106.059 177.134 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 627' ' ' ALA . . . . . 0.475 ' N ' ' C ' ' B' ' 625' ' ' ALA . . . -47.35 134.15 11.83 Favored 'General case' 0 N--CA 1.493 1.68 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.459 -179.8 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 628' ' ' LYS . . . . . . . . . . . . . 56.0 mttm -105.41 91.33 3.73 Favored 'General case' 0 N--CA 1.494 1.769 0 N-CA-C 107.224 -1.398 . . . . 0.0 107.224 177.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 629' ' ' CYS . . . . . . . . . . . . . 46.9 t -59.85 137.87 57.95 Favored 'General case' 0 N--CA 1.491 1.607 0 CA-C-O 122.418 1.104 . . . . 0.0 112.345 -177.454 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 630' ' ' SER . . . . . . . . . . . . . 2.0 t -141.68 163.54 32.63 Favored 'General case' 0 N--CA 1.494 1.732 0 N-CA-C 107.197 -1.409 . . . . 0.0 107.197 178.258 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 631' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -70.02 -34.87 73.84 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.329 -1.482 . . . . 0.0 110.486 -178.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 73.8 mtm180 -70.79 -16.93 62.78 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.759 -1.213 . . . . 0.0 108.77 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 633' ' ' GLY . . . . . . . . . . . . . . . 141.91 -179.2 20.09 Favored Glycine 0 N--CA 1.495 2.595 0 N-CA-C 108.629 -1.788 . . . . 0.0 108.629 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 634' ' ' VAL . . . . . 0.493 HG22 ' N ' ' B' ' 635' ' ' VAL . 7.5 p -78.62 160.92 4.41 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.366 0 O-C-N 120.651 -1.5 . . . . 0.0 110.102 -179.826 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 635' ' ' VAL . . . . . 0.493 ' N ' HG22 ' B' ' 634' ' ' VAL . 26.9 m -151.09 143.11 16.67 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 N-CA-C 108.161 -1.051 . . . . 0.0 108.161 178.059 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 636' ' ' ILE . . . . . 0.514 ' N ' ' O ' ' B' ' 596' ' ' LEU . 95.3 mt -133.68 145.17 33.94 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.985 0 O-C-N 121.419 -0.801 . . . . 0.0 110.036 -178.717 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 637' ' ' ASN . . . . . 0.518 ' O ' ' N ' ' B' ' 639' ' ' GLU . 6.6 m-20 -86.43 132.89 33.83 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.28 -0.887 . . . . 0.0 109.67 179.67 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -46.41 -11.81 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.806 -0.559 . . . . 0.0 110.642 -179.616 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 639' ' ' GLU . . . . . 0.518 ' N ' ' O ' ' B' ' 637' ' ' ASN . 52.0 mm-40 -80.71 -20.36 43.01 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.681 -1.262 . . . . 0.0 109.632 179.706 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 640' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -88.19 -25.64 22.81 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 120.611 -1.306 . . . . 0.0 108.372 177.626 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 641' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -87.91 -33.73 6.8 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.778 0 O-C-N 121.269 -0.894 . . . . 0.0 108.877 179.01 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 642' ' ' GLN . . . . . . . . . . . . . 44.3 mm-40 -69.98 -33.0 71.5 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.234 -0.916 . . . . 0.0 108.623 179.147 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 643' ' ' LEU . . . . . . . . . . . . . 58.5 mt -85.93 -18.68 32.02 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.264 -0.897 . . . . 0.0 108.953 178.541 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 644' ' ' ALA . . . . . . . . . . . . . . . -87.14 -32.29 19.95 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.771 -1.205 . . . . 0.0 108.669 178.039 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 645' ' ' LEU . . . . . . . . . . . . . 14.1 mt -86.37 -25.65 25.24 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.284 -0.885 . . . . 0.0 109.526 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 646' ' ' ASN . . . . . . . . . . . . . 57.0 t-20 -90.05 -11.79 40.39 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.006 -1.059 . . . . 0.0 109.389 179.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 647' ' ' LYS . . . . . . . . . . . . . 42.3 tttm -86.89 -10.43 53.35 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.262 -0.899 . . . . 0.0 109.694 -179.681 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 648' ' ' HIS . . . . . . . . . . . . . 67.0 m-70 -111.2 22.18 15.49 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.352 -0.843 . . . . 0.0 109.535 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 649' ' ' MET . . . . . . . . . . . . . 15.1 mmt -96.46 103.39 15.3 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.193 -0.942 . . . . 0.0 109.428 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 650' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 . . . . . 0 N--CA 1.49 1.547 0 CA-C-O 117.989 -1.005 . . . . 0.0 109.524 179.992 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 301' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 . . . . . 0 N--CA 1.49 1.539 0 CA-C-O 121.245 0.545 . . . . 0.0 109.796 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 302' ' ' PHE . . . . . 0.474 ' CE1' ' SD ' ' A' ' 306' ' ' MET . 50.2 t80 -64.34 -53.6 46.25 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.342 -0.849 . . . . 0.0 109.699 -179.499 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 303' ' ' CYS . . . . . . . . . . . . . 20.9 m -84.35 -42.06 16.14 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.264 -0.897 . . . . 0.0 110.501 -179.303 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 22.2 p -61.14 -26.02 67.39 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.196 -0.94 . . . . 0.0 111.197 -178.549 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . 12.3 ttmm -93.17 -28.26 16.4 Favored 'General case' 0 N--CA 1.502 2.163 0 O-C-N 120.758 -1.214 . . . . 0.0 108.231 178.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 306' ' ' MET . . . . . 0.474 ' SD ' ' CE1' ' A' ' 302' ' ' PHE . 40.6 mtp -64.83 -18.68 65.34 Favored 'General case' 0 C--N 1.298 -1.632 0 N-CA-C 107.022 -1.473 . . . . 0.0 107.022 177.322 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 307' ' ' ASN . . . . . 0.456 ' O ' ' C ' ' A' ' 308' ' ' GLN . 80.7 m-20 -83.15 -36.82 24.44 Favored 'General case' 0 N--CA 1.487 1.383 0 N-CA-C 105.837 -1.912 . . . . 0.0 105.837 178.503 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 308' ' ' GLN . . . . . 0.547 ' O ' ' N ' ' A' ' 310' ' ' CYS . 23.8 tp60 -35.8 -38.01 0.11 Allowed 'General case' 0 N--CA 1.508 2.439 0 CA-C-O 121.763 0.792 . . . . 0.0 109.043 178.362 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 309' ' ' VAL . . . . . 0.408 HG23 ' H ' ' A' ' 309' ' ' VAL . 20.4 t -47.09 -12.0 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.87 0 C-N-CA 120.019 -0.672 . . . . 0.0 109.678 179.227 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 310' ' ' CYS . . . . . 0.547 ' N ' ' O ' ' A' ' 308' ' ' GLN . 0.5 OUTLIER -88.66 -74.88 0.45 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.171 -0.956 . . . . 0.0 108.627 178.901 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 311' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.476 0 N-CA-C 109.621 -1.392 . . . . 0.0 109.621 179.938 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 593' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.302 0 N-CA-C 109.622 -1.391 . . . . 0.0 109.622 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 594' ' ' SER . . . . . . . . . . . . . 66.3 m -89.14 166.3 13.93 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.094 -1.239 . . . . 0.0 110.305 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 595' ' ' LEU . . . . . . . . . . . . . 37.2 mt -94.76 121.37 36.27 Favored 'General case' 0 C--N 1.298 -1.655 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 596' ' ' LEU . . . . . 0.403 ' CD2' HH21 ' B' ' 604' ' ' ARG . 0.5 OUTLIER -127.4 150.37 49.65 Favored 'General case' 0 N--CA 1.5 2.033 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 597' ' ' ARG . . . . . . . . . . . . . 52.5 mtm180 -87.64 -150.93 0.18 Allowed 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.265 -0.897 . . . . 0.0 110.217 -179.303 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 598' ' ' CYS . . . . . 0.415 ' O ' ' N ' ' B' ' 600' ' ' GLU . 2.1 p -82.92 -90.29 0.08 Allowed 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.358 -0.839 . . . . 0.0 110.643 -178.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 599' ' ' SER . . . . . 0.404 ' O ' ' N ' ' B' ' 602' ' ' TRP . 15.3 t -45.14 -23.97 0.21 Allowed 'General case' 0 N--CA 1.495 1.779 0 CA-C-O 121.9 0.857 . . . . 0.0 109.602 -179.255 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 600' ' ' GLU . . . . . 0.415 ' N ' ' O ' ' B' ' 598' ' ' CYS . 18.4 tp10 -48.01 -39.91 21.08 Favored 'General case' 0 C--N 1.304 -1.396 0 CA-C-O 122.616 1.198 . . . . 0.0 108.522 179.459 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 601' ' ' ILE . . . . . 0.546 ' O ' ' N ' ' B' ' 604' ' ' ARG . 1.1 mp -68.26 -34.55 66.85 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.195 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 -178.587 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 602' ' ' TRP . . . . . 0.415 ' C ' ' O ' ' B' ' 601' ' ' ILE . 61.8 t-105 -45.44 -37.89 5.58 Favored 'General case' 0 N--CA 1.495 1.78 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 179.72 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 603' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -66.89 -42.85 84.82 Favored 'General case' 0 C--N 1.303 -1.417 0 N-CA-C 107.625 -1.25 . . . . 0.0 107.625 177.531 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 604' ' ' ARG . . . . . 0.546 ' N ' ' O ' ' B' ' 601' ' ' ILE . 22.3 ttm-85 -57.29 -39.42 75.69 Favored 'General case' 0 N--CA 1.497 1.91 0 CA-C-O 121.881 0.848 . . . . 0.0 109.233 178.82 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 605' ' ' ILE . . . . . . . . . . . . . 76.1 mt -75.37 -49.72 26.54 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.977 0 O-C-N 121.826 -0.546 . . . . 0.0 111.092 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 606' ' ' THR . . . . . . . . . . . . . 43.1 p . . . . . 0 N--CA 1.491 1.624 0 O-C-N 120.844 -1.16 . . . . 0.0 110.324 -178.746 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 614' ' ' ILE . . . . . 0.652 HG22 ' N ' ' B' ' 615' ' ' ASP . 79.2 mt . . . . . 0 N--CA 1.495 1.786 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 615' ' ' ASP . . . . . 0.703 ' O ' HD21 ' B' ' 619' ' ' LEU . 26.5 t70 -121.11 112.87 19.24 Favored 'General case' 0 N--CA 1.494 1.741 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 179.341 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 616' ' ' VAL . . . . . . . . . . . . . 60.3 t -79.36 -16.63 13.21 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.515 0 O-C-N 121.276 -0.89 . . . . 0.0 109.24 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 617' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -74.81 -41.34 60.14 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.285 -0.884 . . . . 0.0 110.82 -179.026 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 618' ' ' GLY . . . . . 0.436 ' O ' ' OE2' ' B' ' 622' ' ' GLU . . . -62.97 -40.52 99.4 Favored Glycine 0 N--CA 1.49 2.267 0 C-N-CA 119.622 -1.275 . . . . 0.0 110.208 -179.296 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 619' ' ' LEU . . . . . 0.703 HD21 ' O ' ' B' ' 615' ' ' ASP . 0.0 OUTLIER -66.8 -24.43 66.18 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 107.123 -1.436 . . . . 0.0 107.123 179.217 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 620' ' ' CYS . . . . . . . . . . . . . 5.6 t -62.57 -54.0 46.3 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.293 -0.879 . . . . 0.0 109.857 179.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 47.0 p -85.13 -10.69 56.48 Favored 'General case' 0 N--CA 1.501 2.119 0 O-C-N 120.745 -1.222 . . . . 0.0 111.416 -179.033 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 622' ' ' GLU . . . . . 0.436 ' OE2' ' O ' ' B' ' 618' ' ' GLY . 0.9 OUTLIER -101.79 -34.17 9.53 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 120.814 -1.179 . . . . 0.0 109.253 178.221 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 623' ' ' LEU . . . . . 0.429 ' CB ' ' O ' ' B' ' 619' ' ' LEU . 1.1 tt -89.42 -22.28 22.61 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.75 -1.219 . . . . 0.0 109.723 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 624' ' ' MET . . . . . . . . . . . . . 5.4 ttt -83.83 -21.34 32.09 Favored 'General case' 0 N--CA 1.503 2.198 0 O-C-N 120.89 -1.131 . . . . 0.0 112.509 -178.451 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 625' ' ' ALA . . . . . . . . . . . . . . . -103.48 -9.02 19.67 Favored 'General case' 0 N--CA 1.509 2.505 0 O-C-N 120.718 -1.239 . . . . 0.0 110.03 -179.469 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 626' ' ' LYS . . . . . . . . . . . . . 63.9 mttm -86.71 -6.26 58.89 Favored 'General case' 0 N--CA 1.491 1.606 0 N-CA-C 106.159 -1.793 . . . . 0.0 106.159 176.516 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 627' ' ' ALA . . . . . . . . . . . . . . . -42.06 138.18 1.66 Allowed 'General case' 0 N--CA 1.492 1.674 0 CA-C-N 115.054 -0.975 . . . . 0.0 111.58 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 628' ' ' LYS . . . . . . . . . . . . . 17.9 tptm -111.29 91.9 3.83 Favored 'General case' 0 N--CA 1.496 1.865 0 N-CA-C 107.736 -1.209 . . . . 0.0 107.736 178.236 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 629' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -54.94 117.76 3.7 Favored 'General case' 0 N--CA 1.494 1.732 0 CA-C-O 122.346 1.07 . . . . 0.0 111.236 -178.034 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 630' ' ' SER . . . . . . . . . . . . . 31.1 t -142.96 160.45 40.32 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 107.633 -1.247 . . . . 0.0 107.633 178.323 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 631' ' ' GLU . . . . . 0.482 ' C ' ' H ' ' B' ' 633' ' ' GLY . 42.1 tt0 -63.97 -23.29 67.28 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.3 -1.5 . . . . 0.0 109.031 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 632' ' ' ARG . . . . . 0.581 ' CG ' HH11 ' B' ' 632' ' ' ARG . 3.7 mtt-85 -79.73 34.85 0.28 Allowed 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 107.579 -1.267 . . . . 0.0 107.579 177.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 633' ' ' GLY . . . . . 0.482 ' H ' ' C ' ' B' ' 631' ' ' GLU . . . 70.06 -170.49 44.18 Favored Glycine 0 N--CA 1.49 2.253 0 N-CA-C 107.684 -2.166 . . . . 0.0 107.684 -178.331 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 634' ' ' VAL . . . . . . . . . . . . . 78.9 t -78.21 141.88 14.88 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.408 0 O-C-N 120.493 -1.592 . . . . 0.0 109.199 179.37 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 31.4 m -131.21 136.33 57.94 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.233 0 O-C-N 121.146 -0.971 . . . . 0.0 109.255 178.608 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 636' ' ' ILE . . . . . . . . . . . . . 22.1 mm -113.29 144.3 21.22 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.928 0 O-C-N 121.78 -0.575 . . . . 0.0 109.546 -179.237 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 637' ' ' ASN . . . . . 0.5 ' O ' ' N ' ' B' ' 639' ' ' GLU . 9.6 p-10 -88.57 130.1 35.33 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.915 -1.116 . . . . 0.0 108.234 178.513 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -46.76 -13.73 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.56 -0.713 . . . . 0.0 110.775 -178.401 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 639' ' ' GLU . . . . . 0.5 ' N ' ' O ' ' B' ' 637' ' ' ASN . 15.5 tp10 -82.66 -25.13 33.37 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.134 -0.979 . . . . 0.0 110.977 -178.78 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 640' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -84.21 -51.71 6.82 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 120.167 -1.583 . . . . 0.0 108.112 178.475 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 641' ' ' VAL . . . . . 0.613 HG13 ' N ' ' B' ' 642' ' ' GLN . 13.0 p -53.66 -50.02 53.23 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.509 0 O-C-N 120.663 -1.273 . . . . 0.0 107.966 177.464 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 642' ' ' GLN . . . . . 0.613 ' N ' HG13 ' B' ' 641' ' ' VAL . 1.3 tm0? -54.36 -31.64 55.06 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.97 -1.081 . . . . 0.0 109.298 179.647 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 643' ' ' LEU . . . . . 0.456 ' O ' ' CG ' ' B' ' 647' ' ' LYS . 18.4 mt -81.91 -26.99 33.63 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.094 -1.004 . . . . 0.0 109.271 179.241 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 644' ' ' ALA . . . . . . . . . . . . . . . -86.59 -36.37 18.91 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.862 -1.149 . . . . 0.0 109.51 179.201 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 645' ' ' LEU . . . . . 0.54 ' O ' ' N ' ' B' ' 647' ' ' LYS . 43.7 mt -74.28 -68.9 0.48 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.688 -1.257 . . . . 0.0 108.432 178.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 646' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -48.19 -9.46 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.178 -0.951 . . . . 0.0 110.236 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 647' ' ' LYS . . . . . 0.549 ' C ' ' H ' ' B' ' 649' ' ' MET . 0.0 OUTLIER -76.78 -81.3 0.09 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.981 -1.074 . . . . 0.0 109.345 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 648' ' ' HIS . . . . . 0.564 ' NE2' ' CD2' ' B' ' 619' ' ' LEU . 1.6 p80 -60.71 25.03 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.105 -0.997 . . . . 0.0 111.8 -178.241 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 649' ' ' MET . . . . . 0.549 ' H ' ' C ' ' B' ' 647' ' ' LYS . 6.8 mmt -93.92 100.5 12.65 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.561 -1.337 . . . . 0.0 109.196 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 650' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 . . . . . 0 N--CA 1.49 1.547 0 CA-C-O 117.955 -1.022 . . . . 0.0 109.504 -179.988 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 301' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 . . . . . 0 N--CA 1.492 1.653 0 N-CA-C 106.161 -1.792 . . . . 0.0 106.161 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 302' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -78.42 -65.22 1.01 Allowed 'General case' 0 C--N 1.306 -1.31 0 CA-C-N 114.551 -1.204 . . . . 0.0 109.571 178.254 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 303' ' ' CYS . . . . . . . . . . . . . 4.0 m -58.25 -43.26 87.75 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.043 -1.036 . . . . 0.0 109.075 179.725 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 49.5 m -53.73 -34.06 57.7 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.542 -0.724 . . . . 0.0 110.782 -179.355 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 305' ' ' LYS . . . . . 0.432 ' NZ ' ' CB ' ' A' ' 305' ' ' LYS . 2.3 ttmp? -99.45 -15.21 18.79 Favored 'General case' 0 N--CA 1.504 2.266 0 O-C-N 120.978 -1.077 . . . . 0.0 108.409 178.242 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 306' ' ' MET . . . . . 0.514 ' O ' HG22 ' A' ' 309' ' ' VAL . 4.7 ttt -75.09 -20.83 59.31 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 106.751 -1.574 . . . . 0.0 106.751 176.769 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 307' ' ' ASN . . . . . 0.455 ' O ' ' C ' ' A' ' 308' ' ' GLN . 31.7 m-20 -83.2 -41.67 18.17 Favored 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 105.751 -1.944 . . . . 0.0 105.751 178.129 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 308' ' ' GLN . . . . . 0.525 ' O ' ' N ' ' A' ' 310' ' ' CYS . 42.2 tt0 -36.36 -38.86 0.16 Allowed 'General case' 0 N--CA 1.506 2.36 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 178.512 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 309' ' ' VAL . . . . . 0.514 HG22 ' O ' ' A' ' 306' ' ' MET . 5.6 m -44.8 -17.55 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.501 2.083 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 178.446 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 310' ' ' CYS . . . . . 0.525 ' N ' ' O ' ' A' ' 308' ' ' GLN . 4.9 m -85.92 30.12 0.68 Allowed 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.498 -0.751 . . . . 0.0 108.974 179.174 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 311' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.536 0 N-CA-C 109.393 -1.483 . . . . 0.0 109.393 179.763 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 593' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.541 0 N-CA-C 108.7 -1.76 . . . . 0.0 108.7 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 594' ' ' SER . . . . . . . . . . . . . 57.9 m -123.98 162.54 23.21 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.452 -1.028 . . . . 0.0 109.802 179.488 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 595' ' ' LEU . . . . . . . . . . . . . 23.9 mt -82.71 118.46 23.37 Favored 'General case' 0 C--N 1.298 -1.634 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 179.16 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 596' ' ' LEU . . . . . 0.488 ' O ' ' N ' ' B' ' 636' ' ' ILE . 2.6 mt -127.22 147.87 50.21 Favored 'General case' 0 N--CA 1.504 2.234 0 O-C-N 121.377 -0.827 . . . . 0.0 108.802 -179.36 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 597' ' ' ARG . . . . . 0.471 ' H ' ' HG3' ' B' ' 600' ' ' GLU . 50.7 ttt180 -111.0 -126.17 0.27 Allowed 'General case' 0 N--CA 1.504 2.228 0 O-C-N 121.709 -0.619 . . . . 0.0 111.741 -177.364 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 598' ' ' CYS . . . . . 0.588 ' SG ' ' N ' ' B' ' 599' ' ' SER . 8.6 t -88.21 -97.77 0.09 Allowed 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.379 -0.826 . . . . 0.0 111.19 -178.187 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 599' ' ' SER . . . . . 0.588 ' N ' ' SG ' ' B' ' 598' ' ' CYS . 14.3 t -43.96 -25.88 0.24 Allowed 'General case' 0 N--CA 1.497 1.918 0 CA-C-O 122.197 0.999 . . . . 0.0 109.346 -178.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 600' ' ' GLU . . . . . 0.471 ' HG3' ' H ' ' B' ' 597' ' ' ARG . 20.0 mm-40 -46.61 -40.34 12.78 Favored 'General case' 0 C--N 1.3 -1.566 0 CA-C-O 122.31 1.052 . . . . 0.0 109.085 178.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 601' ' ' ILE . . . . . 0.533 ' O ' ' N ' ' B' ' 604' ' ' ARG . 1.3 mp -71.35 -33.09 49.0 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 -178.581 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 602' ' ' TRP . . . . . 0.413 ' C ' ' O ' ' B' ' 601' ' ' ILE . 64.7 t-105 -45.24 -37.65 4.82 Favored 'General case' 0 N--CA 1.494 1.751 0 N-CA-C 107.599 -1.26 . . . . 0.0 107.599 179.707 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 603' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -69.4 -42.98 74.39 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 177.536 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 604' ' ' ARG . . . . . 0.533 ' N ' ' O ' ' B' ' 601' ' ' ILE . 9.6 mmt-85 -56.96 -30.63 64.23 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.312 -0.868 . . . . 0.0 109.396 179.085 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 605' ' ' ILE . . . . . . . . . . . . . 85.3 mt -83.32 -46.91 18.5 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.0 0 O-C-N 121.423 -0.798 . . . . 0.0 110.902 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 606' ' ' THR . . . . . . . . . . . . . 21.4 p . . . . . 0 N--CA 1.493 1.684 0 O-C-N 120.878 -1.139 . . . . 0.0 110.274 -179.013 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 614' ' ' ILE . . . . . 0.541 ' CG2' ' N ' ' B' ' 615' ' ' ASP . 4.0 mt . . . . . 0 N--CA 1.494 1.773 0 N-CA-C 107.709 -1.219 . . . . 0.0 107.709 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 615' ' ' ASP . . . . . 0.541 ' N ' ' CG2' ' B' ' 614' ' ' ILE . 1.1 m-20 -107.49 109.19 20.82 Favored 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 107.621 -1.251 . . . . 0.0 107.621 178.748 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 616' ' ' VAL . . . . . 0.436 HG22 ' H ' ' B' ' 616' ' ' VAL . 8.4 m -74.55 -21.12 17.16 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.63 0 O-C-N 121.247 -0.908 . . . . 0.0 108.733 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 617' ' ' ASP . . . . . . . . . . . . . 57.7 m-20 -78.27 -43.6 27.69 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.435 -0.791 . . . . 0.0 110.327 -179.293 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 618' ' ' GLY . . . . . . . . . . . . . . . -69.47 -55.5 9.96 Favored Glycine 0 N--CA 1.488 2.16 0 N-CA-C 109.298 -1.521 . . . . 0.0 109.298 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 619' ' ' LEU . . . . . 0.69 ' C ' HD12 ' B' ' 619' ' ' LEU . 1.0 OUTLIER -57.2 -19.79 23.01 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.349 -1.089 . . . . 0.0 109.201 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 620' ' ' CYS . . . . . . . . . . . . . 7.0 t -75.09 -43.27 53.97 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.812 -1.18 . . . . 0.0 109.875 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 11.1 m -79.39 -0.33 32.38 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 120.879 -1.138 . . . . 0.0 109.126 179.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 622' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 -92.2 -44.11 8.95 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.356 -0.84 . . . . 0.0 109.525 177.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 623' ' ' LEU . . . . . . . . . . . . . 8.1 mp -85.74 -24.09 27.06 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 120.907 -1.121 . . . . 0.0 110.132 -179.342 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 624' ' ' MET . . . . . 0.44 ' SD ' ' O ' ' B' ' 624' ' ' MET . 0.3 OUTLIER -62.34 -34.07 75.94 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 120.994 -1.066 . . . . 0.0 111.543 -178.282 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 625' ' ' ALA . . . . . 0.435 ' C ' ' N ' ' B' ' 627' ' ' ALA . . . -105.29 -33.31 8.25 Favored 'General case' 0 N--CA 1.505 2.314 0 O-C-N 120.785 -1.197 . . . . 0.0 109.608 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 626' ' ' LYS . . . . . . . . . . . . . 64.9 mttm -61.72 -13.18 20.81 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 106.473 -1.677 . . . . 0.0 106.473 177.328 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 627' ' ' ALA . . . . . 0.435 ' N ' ' C ' ' B' ' 625' ' ' ALA . . . -47.08 137.61 7.53 Favored 'General case' 0 N--CA 1.492 1.663 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.547 -179.723 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 628' ' ' LYS . . . . . . . . . . . . . 59.8 tttm -107.63 91.98 3.88 Favored 'General case' 0 N--CA 1.496 1.86 0 N-CA-C 107.399 -1.334 . . . . 0.0 107.399 178.098 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 629' ' ' CYS . . . . . . . . . . . . . 44.1 t -58.8 137.01 57.93 Favored 'General case' 0 N--CA 1.492 1.652 0 CA-C-O 122.385 1.088 . . . . 0.0 112.402 -177.62 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 630' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -141.52 162.36 35.66 Favored 'General case' 0 N--CA 1.495 1.784 0 N-CA-C 107.29 -1.374 . . . . 0.0 107.29 178.294 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 631' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -69.79 -36.28 75.58 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.296 -1.502 . . . . 0.0 110.386 -178.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 632' ' ' ARG . . . . . 0.544 ' CG ' HH11 ' B' ' 632' ' ' ARG . 0.1 OUTLIER -71.28 -17.3 62.48 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.828 -1.17 . . . . 0.0 108.721 179.794 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 633' ' ' GLY . . . . . . . . . . . . . . . 143.41 179.18 19.83 Favored Glycine 0 N--CA 1.495 2.575 0 N-CA-C 108.915 -1.674 . . . . 0.0 108.915 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 634' ' ' VAL . . . . . 0.495 HG12 ' N ' ' B' ' 635' ' ' VAL . 75.9 t -78.91 162.44 3.95 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.383 0 O-C-N 120.771 -1.429 . . . . 0.0 109.896 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 635' ' ' VAL . . . . . 0.495 ' N ' HG12 ' B' ' 634' ' ' VAL . 22.7 m -152.24 140.7 14.35 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.172 -0.955 . . . . 0.0 108.645 178.153 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 636' ' ' ILE . . . . . 0.488 ' N ' ' O ' ' B' ' 596' ' ' LEU . 68.6 mt -131.43 141.17 46.54 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.973 0 O-C-N 121.482 -0.761 . . . . 0.0 109.355 -179.615 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 637' ' ' ASN . . . . . 0.53 ' O ' ' N ' ' B' ' 639' ' ' GLU . 40.5 m-80 -81.7 133.21 35.33 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.175 -0.953 . . . . 0.0 109.307 179.707 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -46.19 -11.66 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.899 -0.501 . . . . 0.0 110.595 -179.632 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 639' ' ' GLU . . . . . 0.53 ' N ' ' O ' ' B' ' 637' ' ' ASN . 68.6 mt-10 -82.45 -21.77 35.51 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.879 -1.138 . . . . 0.0 110.705 -179.489 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 640' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -81.26 -56.94 3.73 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 120.16 -1.588 . . . . 0.0 107.683 177.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 641' ' ' VAL . . . . . 0.625 HG13 ' N ' ' B' ' 642' ' ' GLN . 7.6 p -51.17 -53.37 15.11 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.533 0 O-C-N 121.103 -0.998 . . . . 0.0 108.519 177.47 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 642' ' ' GLN . . . . . 0.625 ' N ' HG13 ' B' ' 641' ' ' VAL . 43.0 tp60 -47.84 -34.97 9.5 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.907 -1.121 . . . . 0.0 109.224 179.74 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 643' ' ' LEU . . . . . . . . . . . . . 47.3 mt -82.46 -19.7 38.37 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.089 -1.007 . . . . 0.0 108.969 178.354 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 644' ' ' ALA . . . . . 0.487 ' N ' ' O ' ' B' ' 641' ' ' VAL . . . -87.12 -33.06 19.57 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 120.814 -1.179 . . . . 0.0 109.241 178.488 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 645' ' ' LEU . . . . . . . . . . . . . 84.9 mt -87.3 -23.76 24.54 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.997 -1.064 . . . . 0.0 109.804 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 646' ' ' ASN . . . . . . . . . . . . . 54.1 t30 -91.98 -17.5 25.03 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.024 -1.048 . . . . 0.0 110.421 -179.415 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 647' ' ' LYS . . . . . . . . . . . . . 3.6 ttmp? -93.38 -13.1 28.47 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 120.966 -1.084 . . . . 0.0 109.404 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 648' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -108.09 17.99 21.68 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.195 -0.941 . . . . 0.0 109.16 179.37 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 649' ' ' MET . . . . . . . . . . . . . 42.8 tpp -96.52 100.05 11.66 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.422 -0.798 . . . . 0.0 109.342 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 650' ' ' ASN . . . . . . . . . . . . . 53.1 t30 . . . . . 0 N--CA 1.491 1.62 0 CA-C-O 117.978 -1.01 . . . . 0.0 109.381 179.934 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 301' ' ' GLU . . . . . 0.415 ' CD ' ' N ' ' A' ' 301' ' ' GLU . 17.8 mp0 . . . . . 0 N--CA 1.488 1.428 0 N-CA-C 105.835 -1.913 . . . . 0.0 105.835 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 302' ' ' PHE . . . . . 0.401 ' CE1' ' SD ' ' A' ' 306' ' ' MET . 0.1 OUTLIER -76.99 -66.6 0.8 Allowed 'General case' 0 C--N 1.31 -1.152 0 CA-C-N 114.861 -1.063 . . . . 0.0 108.994 178.379 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 303' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -61.0 -29.72 69.87 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.08 -1.012 . . . . 0.0 108.687 179.625 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 6.3 t -60.01 -37.9 81.07 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.639 -0.663 . . . . 0.0 111.39 -178.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . 53.8 mttp -103.29 -19.91 14.3 Favored 'General case' 0 N--CA 1.509 2.508 0 O-C-N 120.966 -1.084 . . . . 0.0 109.729 179.523 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 306' ' ' MET . . . . . 0.401 ' SD ' ' CE1' ' A' ' 302' ' ' PHE . 2.1 mtt -70.69 -23.81 62.55 Favored 'General case' 0 C--N 1.297 -1.716 0 N-CA-C 106.958 -1.497 . . . . 0.0 106.958 177.367 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 307' ' ' ASN . . . . . 0.451 ' O ' ' C ' ' A' ' 308' ' ' GLN . 67.4 m-20 -88.48 -40.01 13.78 Favored 'General case' 0 N--CA 1.495 1.788 0 N-CA-C 106.797 -1.557 . . . . 0.0 106.797 178.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 308' ' ' GLN . . . . . 0.551 ' O ' ' N ' ' A' ' 310' ' ' CYS . 35.2 tt0 -34.52 -36.7 0.05 OUTLIER 'General case' 0 N--CA 1.508 2.43 0 CA-C-O 121.695 0.76 . . . . 0.0 109.302 178.577 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 309' ' ' VAL . . . . . 0.43 ' N ' ' O ' ' A' ' 307' ' ' ASN . 30.5 t -46.66 -12.87 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.813 0 C-N-CA 120.067 -0.653 . . . . 0.0 109.56 179.141 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 310' ' ' CYS . . . . . 0.551 ' N ' ' O ' ' A' ' 308' ' ' GLN . 0.0 OUTLIER -88.16 16.12 6.59 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.428 -0.795 . . . . 0.0 108.956 179.348 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 311' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 308' ' ' GLN . . . . . . . . 0 N--CA 1.492 2.414 0 N-CA-C 109.851 -1.299 . . . . 0.0 109.851 -179.666 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 593' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.245 0 N-CA-C 109.333 -1.507 . . . . 0.0 109.333 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 594' ' ' SER . . . . . . . . . . . . . 66.8 m -78.79 165.49 23.52 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.228 -1.16 . . . . 0.0 110.061 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 595' ' ' LEU . . . . . 0.569 HD12 ' N ' ' B' ' 595' ' ' LEU . 8.0 mp -92.57 118.77 31.35 Favored 'General case' 0 C--N 1.3 -1.57 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 596' ' ' LEU . . . . . 0.496 HD12 ' H ' ' B' ' 596' ' ' LEU . 0.0 OUTLIER -127.32 158.03 38.32 Favored 'General case' 0 N--CA 1.502 2.152 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 179.893 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 597' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -101.24 -142.76 0.34 Allowed 'General case' 0 N--CA 1.501 2.086 0 O-C-N 121.177 -0.952 . . . . 0.0 111.353 -178.401 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 598' ' ' CYS . . . . . 0.551 ' O ' ' N ' ' B' ' 600' ' ' GLU . 7.1 p -74.36 -103.52 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.459 -0.775 . . . . 0.0 111.421 -178.046 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 599' ' ' SER . . . . . 0.498 ' O ' ' N ' ' B' ' 602' ' ' TRP . 26.1 t -44.59 -16.95 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.919 0 CA-C-O 122.041 0.924 . . . . 0.0 109.451 -179.251 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 600' ' ' GLU . . . . . 0.551 ' N ' ' O ' ' B' ' 598' ' ' CYS . 8.3 tp10 -43.85 -42.13 5.51 Favored 'General case' 0 C--N 1.302 -1.467 0 CA-C-O 122.573 1.177 . . . . 0.0 108.953 179.095 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 601' ' ' ILE . . . . . 0.536 ' O ' ' N ' ' B' ' 604' ' ' ARG . 1.3 mp -69.52 -33.06 55.31 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.086 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 -178.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 602' ' ' TRP . . . . . 0.498 ' N ' ' O ' ' B' ' 599' ' ' SER . 62.0 t-105 -44.94 -37.6 4.09 Favored 'General case' 0 N--CA 1.494 1.754 0 N-CA-C 107.817 -1.179 . . . . 0.0 107.817 179.725 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 603' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -69.17 -43.81 73.5 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 107.534 -1.284 . . . . 0.0 107.534 177.543 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 604' ' ' ARG . . . . . 0.569 HH11 ' CG ' ' B' ' 604' ' ' ARG . 0.0 OUTLIER -56.07 -42.74 77.15 Favored 'General case' 0 N--CA 1.497 1.924 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 178.683 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 605' ' ' ILE . . . . . . . . . . . . . 54.8 mt -72.23 -46.54 57.36 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.796 0 O-C-N 121.701 -0.625 . . . . 0.0 109.947 179.181 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 606' ' ' THR . . . . . . . . . . . . . 18.0 m . . . . . 0 C--N 1.302 -1.461 0 O-C-N 120.939 -1.1 . . . . 0.0 109.85 -179.418 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 614' ' ' ILE . . . . . 0.735 HG22 ' H ' ' B' ' 615' ' ' ASP . 68.4 mt . . . . . 0 N--CA 1.497 1.911 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 615' ' ' ASP . . . . . 0.735 ' H ' HG22 ' B' ' 614' ' ' ILE . 75.9 m-20 -118.91 106.44 12.48 Favored 'General case' 0 N--CA 1.495 1.798 0 N-CA-C 108.153 -1.055 . . . . 0.0 108.153 179.327 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 616' ' ' VAL . . . . . . . . . . . . . 17.5 t -80.27 -16.77 12.72 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.623 0 O-C-N 121.426 -0.796 . . . . 0.0 109.169 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 617' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -72.74 -46.65 52.42 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.323 -0.861 . . . . 0.0 110.672 -178.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 618' ' ' GLY . . . . . . . . . . . . . . . -69.35 -41.99 76.16 Favored Glycine 0 N--CA 1.492 2.379 0 N-CA-C 109.568 -1.413 . . . . 0.0 109.568 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 619' ' ' LEU . . . . . 0.716 HD22 HD21 ' B' ' 645' ' ' LEU . 20.5 tp -61.95 -22.57 65.74 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.283 -1.128 . . . . 0.0 108.622 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 620' ' ' CYS . . . . . . . . . . . . . 19.1 t -73.37 -48.82 31.02 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.124 -0.985 . . . . 0.0 110.898 -179.47 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 24.9 m -80.78 0.13 36.14 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 120.83 -1.169 . . . . 0.0 109.356 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 622' ' ' GLU . . . . . 0.482 ' OE2' ' NZ ' ' B' ' 626' ' ' LYS . 5.7 tp10 -98.24 -48.81 4.94 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.549 -0.719 . . . . 0.0 110.047 178.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 623' ' ' LEU . . . . . 0.576 HD11 HD11 ' B' ' 619' ' ' LEU . 14.4 mt -85.73 -19.26 31.08 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 120.312 -1.492 . . . . 0.0 110.119 -179.74 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 624' ' ' MET . . . . . . . . . . . . . 28.3 ttt -73.33 -30.26 63.23 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.128 -0.983 . . . . 0.0 111.679 -178.308 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 625' ' ' ALA . . . . . . . . . . . . . . . -103.94 -5.86 21.84 Favored 'General case' 0 N--CA 1.506 2.339 0 O-C-N 120.8 -1.188 . . . . 0.0 109.752 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 626' ' ' LYS . . . . . 0.482 ' NZ ' ' OE2' ' B' ' 622' ' ' GLU . 42.7 mttp -89.01 -9.31 51.84 Favored 'General case' 0 N--CA 1.492 1.645 0 N-CA-C 106.066 -1.827 . . . . 0.0 106.066 176.271 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 627' ' ' ALA . . . . . . . . . . . . . . . -42.71 140.65 1.24 Allowed 'General case' 0 N--CA 1.491 1.585 0 CA-C-N 115.268 -0.878 . . . . 0.0 111.108 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 628' ' ' LYS . . . . . . . . . . . . . 44.2 mtmt -120.78 92.39 3.75 Favored 'General case' 0 N--CA 1.498 1.947 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 178.587 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 629' ' ' CYS . . . . . . . . . . . . . 1.3 m -51.3 117.38 2.56 Favored 'General case' 0 N--CA 1.494 1.768 0 CA-C-O 122.25 1.024 . . . . 0.0 111.748 -177.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 630' ' ' SER . . . . . . . . . . . . . 31.1 t -142.79 158.23 43.84 Favored 'General case' 0 N--CA 1.496 1.832 0 N-CA-C 107.391 -1.337 . . . . 0.0 107.391 177.702 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 631' ' ' GLU . . . . . 0.615 ' H ' ' CD ' ' B' ' 631' ' ' GLU . 12.4 pm0 -62.88 -23.56 67.38 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.247 -1.533 . . . . 0.0 109.806 -179.42 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 51.2 ttt180 -78.52 34.27 0.21 Allowed 'General case' 0 N--CA 1.491 1.598 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 178.149 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 633' ' ' GLY . . . . . 0.491 ' H ' ' C ' ' B' ' 631' ' ' GLU . . . 73.54 -171.89 51.16 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 107.476 -2.25 . . . . 0.0 107.476 -178.416 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 634' ' ' VAL . . . . . . . . . . . . . 7.1 p -76.71 140.34 17.34 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.385 0 O-C-N 120.341 -1.682 . . . . 0.0 109.22 179.253 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 15.8 m -133.16 135.86 56.02 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.121 0 O-C-N 121.117 -0.99 . . . . 0.0 109.598 179.052 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 636' ' ' ILE . . . . . 0.431 ' O ' HD12 ' B' ' 596' ' ' LEU . 95.2 mt -133.26 156.88 42.42 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.835 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 -179.576 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 637' ' ' ASN . . . . . 0.501 ' O ' ' N ' ' B' ' 639' ' ' GLU . 5.8 m120 -87.17 126.08 34.57 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.882 -1.136 . . . . 0.0 110.887 -179.188 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -48.29 -10.46 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.881 -0.512 . . . . 0.0 109.854 178.46 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 639' ' ' GLU . . . . . 0.501 ' N ' ' O ' ' B' ' 637' ' ' ASN . 37.8 tt0 -74.94 -17.39 60.56 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.028 -1.045 . . . . 0.0 109.331 179.165 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 640' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -87.96 -41.53 13.08 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 120.59 -1.319 . . . . 0.0 108.729 177.655 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 641' ' ' VAL . . . . . 0.418 ' H ' HG13 ' B' ' 641' ' ' VAL . 1.0 OUTLIER -70.38 -34.98 60.35 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.901 0 O-C-N 120.857 -1.152 . . . . 0.0 108.802 179.024 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 642' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -70.32 -38.54 74.92 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.347 -0.845 . . . . 0.0 109.717 -179.673 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 643' ' ' LEU . . . . . . . . . . . . . 88.1 mt -83.63 -19.15 35.95 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.013 -1.054 . . . . 0.0 108.865 178.735 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 644' ' ' ALA . . . . . . . . . . . . . . . -86.79 -53.14 5.09 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.908 -1.12 . . . . 0.0 108.066 178.01 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 645' ' ' LEU . . . . . 0.716 HD21 HD22 ' B' ' 619' ' ' LEU . 86.3 mt -56.22 -70.09 0.13 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.312 -0.868 . . . . 0.0 109.194 178.419 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 646' ' ' ASN . . . . . . . . . . . . . 33.7 p-10 -47.57 -9.79 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.944 -1.097 . . . . 0.0 110.948 -178.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 647' ' ' LYS . . . . . 0.535 ' N ' ' O ' ' B' ' 645' ' ' LEU . 22.7 ttmt -100.96 174.24 6.11 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.075 -1.016 . . . . 0.0 109.785 -179.502 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 648' ' ' HIS . . . . . 0.496 ' N ' ' CG ' ' B' ' 647' ' ' LYS . 63.4 m-70 55.71 9.59 0.44 Allowed 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 -179.713 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 649' ' ' MET . . . . . 0.432 ' H ' ' C ' ' B' ' 647' ' ' LYS . 13.4 ttm -94.23 144.2 25.72 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.554 -0.716 . . . . 0.0 109.563 -179.099 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 650' ' ' ASN . . . . . 0.411 ' ND2' ' O ' ' B' ' 649' ' ' MET . 22.3 m120 . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 117.95 -1.024 . . . . 0.0 109.369 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 279' ' ' ASN . . . . . . . . . . . . . 36.5 t-20 . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . 16.8 mt -68.49 -149.06 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.218 -0.927 . . . . 0.0 109.43 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 281' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -157.56 -0.91 0.11 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.212 -0.93 . . . . 0.0 109.441 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 282' ' ' SER . . . . . 0.537 ' O ' ' N ' ' A' ' 284' ' ' MET . 59.2 m -61.39 -161.53 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.272 -0.893 . . . . 0.0 109.419 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 283' ' ' ASN . . . . . 0.424 ' C ' HD22 ' A' ' 283' ' ' ASN . 0.1 OUTLIER 62.12 -71.88 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.549 -0.719 . . . . 0.0 109.662 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 284' ' ' MET . . . . . 0.537 ' N ' ' O ' ' A' ' 282' ' ' SER . 50.2 mtt -47.41 138.92 7.08 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.17 -0.956 . . . . 0.0 109.669 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 285' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -73.35 175.38 6.96 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.283 -0.885 . . . . 0.0 109.477 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 286' ' ' SER . . . . . . . . . . . . . 39.5 t -70.75 178.8 2.9 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.227 -0.92 . . . . 0.0 109.487 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 287' ' ' ASN . . . . . . . . . . . . . 21.0 m120 -157.63 84.82 0.9 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.269 -0.894 . . . . 0.0 109.404 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 288' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -158.06 72.82 0.65 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.328 -0.857 . . . . 0.0 109.524 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 289' ' ' PHE . . . . . . . . . . . . . 46.8 p90 -70.84 -14.84 62.55 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.17 -0.956 . . . . 0.0 109.443 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 290' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -67.49 -12.6 60.7 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.238 -0.914 . . . . 0.0 109.357 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 291' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -60.96 -37.66 83.17 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.304 -0.873 . . . . 0.0 109.357 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 292' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -168.7 -56.9 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.237 -0.914 . . . . 0.0 109.51 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 293' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -171.27 -64.76 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.279 -0.888 . . . . 0.0 109.522 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 294' ' ' GLN . . . . . . . . . . . . . 80.1 mm-40 -80.21 164.96 22.86 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.308 -0.87 . . . . 0.0 109.545 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 295' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -70.81 155.73 40.42 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.283 -0.886 . . . . 0.0 109.477 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -74.03 -42.42 60.32 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.283 -0.885 . . . . 0.0 109.453 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 297' ' ' GLU . . . . . . . . . . . . . 52.8 mm-40 52.21 -153.15 0.22 Allowed 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.255 -0.903 . . . . 0.0 109.462 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 298' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -163.34 -7.92 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.252 -0.905 . . . . 0.0 109.342 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 299' ' ' VAL . . . . . . . . . . . . . 2.5 m -147.45 85.79 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.862 0 O-C-N 121.116 -0.99 . . . . 0.0 109.181 179.514 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 300' ' ' SER . . . . . 0.528 ' O ' ' N ' ' A' ' 304' ' ' SER . 7.6 t -124.75 -127.31 0.25 Allowed 'General case' 0 N--CA 1.492 1.648 0 CA-C-O 121.483 0.659 . . . . 0.0 109.87 -178.698 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 301' ' ' GLU . . . . . . . . . . . . . 21.0 pt-20 -45.9 -35.89 4.95 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.478 -0.764 . . . . 0.0 109.072 179.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 302' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -61.83 -64.76 0.84 Allowed 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.563 -0.71 . . . . 0.0 109.298 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 303' ' ' CYS . . . . . . . . . . . . . 19.9 t -76.54 -48.1 20.49 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.191 -0.943 . . . . 0.0 110.624 -179.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 304' ' ' SER . . . . . 0.528 ' N ' ' O ' ' A' ' 300' ' ' SER . 16.2 m -51.7 -20.16 1.95 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.291 -0.881 . . . . 0.0 111.142 -178.751 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -102.97 -19.17 14.69 Favored 'General case' 0 N--CA 1.504 2.259 0 O-C-N 120.947 -1.096 . . . . 0.0 108.78 178.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 306' ' ' MET . . . . . . . . . . . . . 19.8 mmm -70.06 -23.44 63.08 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 107.662 -1.236 . . . . 0.0 107.662 177.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 307' ' ' ASN . . . . . 0.438 ' O ' ' C ' ' A' ' 308' ' ' GLN . 3.9 m-80 -91.82 -37.48 12.92 Favored 'General case' 0 N--CA 1.499 2.003 0 N-CA-C 106.931 -1.507 . . . . 0.0 106.931 178.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 308' ' ' GLN . . . . . 0.541 ' O ' ' N ' ' A' ' 310' ' ' CYS . 29.2 tt0 -35.64 -38.71 0.12 Allowed 'General case' 0 N--CA 1.506 2.347 0 CA-C-O 121.748 0.785 . . . . 0.0 109.255 178.321 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 309' ' ' VAL . . . . . 0.482 HG21 ' O ' ' B' ' 624' ' ' MET . 48.6 t -46.8 -12.42 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.775 0 CA-C-O 121.526 0.679 . . . . 0.0 109.759 179.377 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 310' ' ' CYS . . . . . 0.541 ' N ' ' O ' ' A' ' 308' ' ' GLN . 4.2 t -73.63 9.9 1.27 Allowed 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.512 -0.743 . . . . 0.0 109.547 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 311' ' ' GLY . . . . . . . . . . . . . . . -75.45 133.74 15.28 Favored Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.412 -1.475 . . . . 0.0 109.412 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 312' ' ' THR . . . . . . . . . . . . . 31.1 m -76.89 118.38 19.43 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.177 -1.19 . . . . 0.0 109.531 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 313' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 . . . . . 0 N--CA 1.489 1.524 0 CA-C-O 117.979 -1.01 . . . . 0.0 109.512 179.969 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 565' ' ' ASN . . . . . 0.636 ' N ' HD22 ' B' ' 565' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 566' ' ' GLY . . . . . . . . . . . . . . . 178.84 149.81 8.45 Favored Glycine 0 N--CA 1.49 2.274 0 N-CA-C 109.572 -1.411 . . . . 0.0 109.572 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 567' ' ' SER . . . . . 0.504 ' O ' ' N ' ' B' ' 569' ' ' LEU . 91.1 p -65.78 -14.07 60.64 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.249 -1.148 . . . . 0.0 109.441 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 568' ' ' SER . . . . . 0.476 ' C ' ' H ' ' B' ' 570' ' ' GLN . 1.8 t 67.19 -51.62 0.48 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.449 -0.782 . . . . 0.0 109.682 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 569' ' ' LEU . . . . . 0.573 ' N ' HD12 ' B' ' 569' ' ' LEU . 7.9 mp -73.15 17.2 0.13 Allowed 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.118 -0.989 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 570' ' ' GLN . . . . . 0.476 ' H ' ' C ' ' B' ' 568' ' ' SER . 66.2 tp60 -63.0 80.05 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.264 -0.898 . . . . 0.0 109.378 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 571' ' ' ASN . . . . . 0.471 ' N ' ' O ' ' B' ' 569' ' ' LEU . 19.0 m120 -74.06 107.27 6.15 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.278 -0.889 . . . . 0.0 109.372 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -170.29 -169.24 0.81 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.312 -0.868 . . . . 0.0 109.443 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 573' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -157.98 -174.99 5.1 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.274 -0.891 . . . . 0.0 109.399 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 574' ' ' LYS . . . . . . . . . . . . . 23.8 pttm -72.74 137.06 45.66 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.198 -0.939 . . . . 0.0 109.572 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 575' ' ' ILE . . . . . . . . . . . . . 19.3 pt -81.55 24.86 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.265 -0.897 . . . . 0.0 109.484 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 576' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -68.19 -64.05 0.94 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.242 -0.911 . . . . 0.0 109.438 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 577' ' ' ASN . . . . . . . . . . . . . 53.3 t30 53.43 19.91 1.82 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.261 -0.9 . . . . 0.0 109.455 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 578' ' ' GLY . . . . . . . . . . . . . . . -75.72 97.03 1.08 Allowed Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.513 -1.435 . . . . 0.0 109.513 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 579' ' ' ASN . . . . . . . . . . . . . 62.2 m-80 -75.65 -56.31 4.81 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.286 -1.126 . . . . 0.0 109.427 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 580' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 53.13 69.65 0.68 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.256 -0.902 . . . . 0.0 109.483 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 581' ' ' ASN . . . . . 0.504 HD22 ' N ' ' B' ' 581' ' ' ASN . 0.1 OUTLIER -76.26 62.08 1.72 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.309 -0.869 . . . . 0.0 109.434 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 582' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -72.17 144.0 48.71 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.273 -0.892 . . . . 0.0 109.428 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 583' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -73.99 -179.58 3.84 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.276 -0.89 . . . . 0.0 109.456 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 584' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -69.03 78.38 0.33 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.24 -0.913 . . . . 0.0 109.501 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 585' ' ' ASN . . . . . . . . . . . . . 29.6 m120 -77.58 69.8 3.88 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.23 -0.919 . . . . 0.0 109.505 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 586' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -79.19 104.18 9.64 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.275 -0.891 . . . . 0.0 109.365 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 587' ' ' VAL . . . . . . . . . . . . . 2.2 m -149.22 121.88 1.47 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.289 -0.882 . . . . 0.0 109.076 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 588' ' ' VAL . . . . . . . . . . . . . 14.2 t 50.01 67.54 4.31 Favored Pre-proline 0 N--CA 1.49 1.533 0 O-C-N 121.19 -0.944 . . . . 0.0 109.655 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 589' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -62.3 174.07 2.91 Favored 'Trans proline' 0 C--N 1.317 -1.091 0 C-N-CA 121.444 1.429 . . . . 0.0 109.748 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 590' ' ' SER . . . . . . . . . . . . . 30.5 t -160.01 32.82 0.18 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.257 -0.902 . . . . 0.0 109.445 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 591' ' ' LYS . . . . . . . . . . . . . 43.4 pttt -94.0 177.91 5.83 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.339 -0.85 . . . . 0.0 109.443 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 592' ' ' GLU . . . . . 0.454 ' OE2' ' N ' ' B' ' 593' ' ' GLY . 0.9 OUTLIER -73.78 120.54 19.52 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.259 -0.9 . . . . 0.0 109.246 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 593' ' ' GLY . . . . . 0.454 ' N ' ' OE2' ' B' ' 592' ' ' GLU . . . 166.62 110.32 0.23 Allowed Glycine 0 N--CA 1.489 2.233 0 N-CA-C 109.315 -1.514 . . . . 0.0 109.315 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 594' ' ' SER . . . . . . . . . . . . . 74.4 m -82.27 164.55 21.08 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.223 -1.163 . . . . 0.0 109.987 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 595' ' ' LEU . . . . . . . . . . . . . 5.4 tt -94.06 117.54 30.24 Favored 'General case' 0 C--N 1.299 -1.605 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 596' ' ' LEU . . . . . 0.631 HD12 ' H ' ' B' ' 596' ' ' LEU . 0.0 OUTLIER -131.04 161.63 31.6 Favored 'General case' 0 N--CA 1.504 2.256 0 O-C-N 121.372 -0.83 . . . . 0.0 109.206 -179.834 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 597' ' ' ARG . . . . . 0.488 ' H ' ' CB ' ' B' ' 600' ' ' GLU . 0.9 OUTLIER -109.99 -156.17 0.58 Allowed 'General case' 0 N--CA 1.504 2.228 0 CA-C-O 121.687 0.756 . . . . 0.0 111.216 -178.864 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 598' ' ' CYS . . . . . 0.53 ' O ' ' N ' ' B' ' 600' ' ' GLU . 7.1 p -59.02 -105.39 0.0 OUTLIER 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.734 -0.604 . . . . 0.0 111.777 -178.046 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 599' ' ' SER . . . . . 0.528 ' O ' ' N ' ' B' ' 602' ' ' TRP . 14.5 t -44.21 -18.12 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.853 0 CA-C-O 121.852 0.834 . . . . 0.0 109.593 -178.719 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 600' ' ' GLU . . . . . 0.53 ' N ' ' O ' ' B' ' 598' ' ' CYS . 5.4 tp10 -47.63 -38.13 14.09 Favored 'General case' 0 C--N 1.301 -1.508 0 CA-C-O 122.733 1.254 . . . . 0.0 108.108 179.182 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 601' ' ' ILE . . . . . 0.574 ' O ' ' N ' ' B' ' 604' ' ' ARG . 1.3 mp -69.47 -32.04 51.49 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.07 0 N-CA-C 107.423 -1.325 . . . . 0.0 107.423 -179.323 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 602' ' ' TRP . . . . . 0.528 ' N ' ' O ' ' B' ' 599' ' ' SER . 59.4 t-105 -45.46 -36.77 4.63 Favored 'General case' 0 N--CA 1.495 1.809 0 N-CA-C 107.228 -1.397 . . . . 0.0 107.228 179.266 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 603' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -68.12 -43.55 78.15 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 107.5 -1.296 . . . . 0.0 107.5 177.33 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 604' ' ' ARG . . . . . 0.574 ' N ' ' O ' ' B' ' 601' ' ' ILE . 4.7 tpp180 -55.76 -50.47 70.34 Favored 'General case' 0 N--CA 1.497 1.923 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 178.513 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 605' ' ' ILE . . . . . 0.557 ' O ' ' CD2' ' B' ' 608' ' ' HIS . 25.7 mm -46.98 -46.6 8.44 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.993 0 O-C-N 121.65 -0.656 . . . . 0.0 109.922 178.677 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 606' ' ' THR . . . . . 0.552 ' O ' ' N ' ' B' ' 608' ' ' HIS . 75.1 p -68.2 -50.4 54.48 Favored 'General case' 0 C--N 1.297 -1.682 0 O-C-N 120.618 -1.301 . . . . 0.0 110.493 -178.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 607' ' ' THR . . . . . 0.403 ' OG1' ' O ' ' B' ' 604' ' ' ARG . 45.5 p -46.54 -2.17 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.873 0 N-CA-C 113.672 0.99 . . . . 0.0 113.672 -177.551 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 608' ' ' HIS . . . . . 0.6 ' O ' ' ND1' ' B' ' 608' ' ' HIS . 32.9 p80 -125.27 98.63 35.11 Favored Pre-proline 0 N--CA 1.511 2.578 0 O-C-N 120.408 -1.433 . . . . 0.0 110.526 179.429 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 609' ' ' PRO . . . . . . . . . . . . . 7.0 Cg_exo -60.07 6.71 0.1 Allowed 'Trans proline' 0 N--CA 1.482 0.82 0 C-N-CA 121.647 1.564 . . . . 0.0 110.421 178.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 610' ' ' LYS . . . . . 0.52 ' H ' ' C ' ' B' ' 608' ' ' HIS . 79.0 tttt -72.34 -93.58 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.44 0 O-C-N 120.928 -1.107 . . . . 0.0 109.766 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 611' ' ' TYR . . . . . 0.428 ' O ' ' O ' ' B' ' 610' ' ' LYS . 0.1 OUTLIER 62.27 148.85 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.685 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 -179.478 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 612' ' ' SER . . . . . . . . . . . . . 6.1 p -176.77 -64.85 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.792 -1.192 . . . . 0.0 109.067 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 613' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -151.64 69.26 0.92 Allowed 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.331 -0.856 . . . . 0.0 109.233 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 614' ' ' ILE . . . . . 0.573 HG22 ' N ' ' B' ' 615' ' ' ASP . 77.3 mt -101.08 165.72 2.55 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.793 0 O-C-N 121.362 -0.836 . . . . 0.0 109.445 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 615' ' ' ASP . . . . . 0.573 ' N ' HG22 ' B' ' 614' ' ' ILE . 30.6 p-10 -119.9 117.52 28.33 Favored 'General case' 0 N--CA 1.495 1.8 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 179.364 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 616' ' ' VAL . . . . . . . . . . . . . 27.7 m -77.95 -16.79 14.02 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.389 -0.819 . . . . 0.0 108.988 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 617' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -75.07 -36.47 61.77 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.381 -0.824 . . . . 0.0 109.592 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 618' ' ' GLY . . . . . . . . . . . . . . . -67.27 -36.86 90.33 Favored Glycine 0 N--CA 1.488 2.162 0 N-CA-C 109.667 -1.373 . . . . 0.0 109.667 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 619' ' ' LEU . . . . . 0.424 HD13 HD21 ' B' ' 645' ' ' LEU . 3.5 mt -65.53 -29.34 69.96 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.016 -1.285 . . . . 0.0 108.109 179.516 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 620' ' ' CYS . . . . . . . . . . . . . 49.2 t -64.86 -52.72 55.09 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.599 -0.688 . . . . 0.0 110.702 -179.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 35.2 t -81.54 -2.78 51.2 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 120.433 -1.417 . . . . 0.0 110.123 -179.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 622' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -100.44 -43.29 6.27 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.134 -0.979 . . . . 0.0 109.273 178.235 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 623' ' ' LEU . . . . . . . . . . . . . 10.0 mp -87.51 -19.48 27.87 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 120.55 -1.344 . . . . 0.0 110.02 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 624' ' ' MET . . . . . 0.482 ' O ' HG21 ' A' ' 309' ' ' VAL . 0.8 OUTLIER -75.84 -27.87 58.01 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 120.775 -1.203 . . . . 0.0 111.643 -178.043 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 625' ' ' ALA . . . . . . . . . . . . . . . -101.89 -5.1 25.15 Favored 'General case' 0 N--CA 1.506 2.371 0 O-C-N 120.631 -1.293 . . . . 0.0 109.184 179.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 626' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -95.65 -12.39 25.64 Favored 'General case' 0 N--CA 1.493 1.716 0 N-CA-C 105.451 -2.055 . . . . 0.0 105.451 175.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 627' ' ' ALA . . . . . . . . . . . . . . . -48.65 145.05 3.87 Favored 'General case' 0 N--CA 1.492 1.635 0 CA-C-N 115.318 -0.855 . . . . 0.0 111.082 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 628' ' ' LYS . . . . . . . . . . . . . 44.4 mtpt -126.02 89.22 2.98 Favored 'General case' 0 N--CA 1.497 1.9 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 179.052 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 629' ' ' CYS . . . . . . . . . . . . . 18.2 t -49.28 120.7 4.24 Favored 'General case' 0 N--CA 1.494 1.734 0 CA-C-O 122.309 1.052 . . . . 0.0 111.376 -178.326 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 630' ' ' SER . . . . . . . . . . . . . 31.1 m -143.28 161.31 38.63 Favored 'General case' 0 N--CA 1.495 1.781 0 N-CA-C 107.861 -1.162 . . . . 0.0 107.861 178.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 631' ' ' GLU . . . . . 0.495 ' C ' ' H ' ' B' ' 633' ' ' GLY . 43.3 mm-40 -62.23 -24.61 67.35 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.477 -1.39 . . . . 0.0 109.0 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 56.6 mtp180 -80.39 33.25 0.29 Allowed 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 107.363 -1.347 . . . . 0.0 107.363 177.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 633' ' ' GLY . . . . . 0.495 ' H ' ' C ' ' B' ' 631' ' ' GLU . . . 71.14 -170.55 47.38 Favored Glycine 0 N--CA 1.488 2.149 0 N-CA-C 107.731 -2.148 . . . . 0.0 107.731 -178.441 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 634' ' ' VAL . . . . . . . . . . . . . 7.5 p -73.88 139.04 20.0 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.451 0 O-C-N 120.601 -1.529 . . . . 0.0 109.276 179.372 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 26.0 m -133.25 136.13 55.45 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.13 0 O-C-N 121.175 -0.953 . . . . 0.0 109.669 179.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 636' ' ' ILE . . . . . 0.412 HG22 ' N ' ' B' ' 637' ' ' ASN . 96.3 mt -134.97 154.74 37.0 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.847 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 -179.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 637' ' ' ASN . . . . . 0.557 HD22 ' N ' ' B' ' 637' ' ' ASN . 0.9 OUTLIER -81.56 132.38 35.31 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.099 -1.001 . . . . 0.0 110.122 -179.803 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -52.38 -10.57 0.15 Allowed 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.653 -0.655 . . . . 0.0 110.309 179.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 639' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -77.72 -19.76 54.69 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.837 -1.164 . . . . 0.0 109.526 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 640' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -88.65 -37.09 15.86 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 120.596 -1.315 . . . . 0.0 108.674 177.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 641' ' ' VAL . . . . . . . . . . . . . 2.1 m -76.0 -27.31 18.07 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.745 0 O-C-N 121.079 -1.013 . . . . 0.0 109.059 179.001 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 642' ' ' GLN . . . . . . . . . . . . . 9.4 tm0? -76.9 -33.51 57.78 Favored 'General case' 0 N--CA 1.491 1.625 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 178.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 643' ' ' LEU . . . . . . . . . . . . . 90.0 mt -85.33 -21.76 28.79 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.233 -0.917 . . . . 0.0 108.679 178.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 644' ' ' ALA . . . . . . . . . . . . . . . -85.65 -28.06 24.99 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.97 -1.081 . . . . 0.0 108.284 178.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 645' ' ' LEU . . . . . 0.424 HD21 HD13 ' B' ' 619' ' ' LEU . 66.0 mt -87.59 -23.33 24.34 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.444 -0.785 . . . . 0.0 109.455 179.259 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 646' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -94.1 -13.24 27.02 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.984 -1.073 . . . . 0.0 110.846 -179.088 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 647' ' ' LYS . . . . . . . . . . . . . 18.5 ptmt -91.37 -9.33 45.21 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 120.654 -1.279 . . . . 0.0 109.906 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 648' ' ' HIS . . . . . . . . . . . . . 40.2 m-70 -111.76 18.13 19.22 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.453 -0.779 . . . . 0.0 109.479 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 649' ' ' MET . . . . . . . . . . . . . 40.3 tpp -96.15 99.7 11.42 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.209 -0.932 . . . . 0.0 109.386 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 650' ' ' ASN . . . . . . . . . . . . . 12.9 m120 . . . . . 0 N--CA 1.491 1.609 0 CA-C-O 118.024 -0.989 . . . . 0.0 109.432 179.933 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 279' ' ' ASN . . . . . 0.458 ' C ' ' H ' ' A' ' 281' ' ' ASP . 17.9 m120 . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . 14.3 mt -74.87 21.44 0.11 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.307 -0.871 . . . . 0.0 109.444 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 281' ' ' ASP . . . . . 0.458 ' H ' ' C ' ' A' ' 279' ' ' ASN . 19.2 t70 -66.3 -0.85 2.85 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.235 -0.916 . . . . 0.0 109.411 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 282' ' ' SER . . . . . 0.426 ' O ' ' O ' ' A' ' 281' ' ' ASP . 11.3 m 53.05 175.57 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.236 -0.915 . . . . 0.0 109.453 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 283' ' ' ASN . . . . . 0.52 ' OD1' ' N ' ' A' ' 284' ' ' MET . 21.4 p30 -77.62 -144.46 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.271 -0.893 . . . . 0.0 109.53 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 284' ' ' MET . . . . . 0.52 ' N ' ' OD1' ' A' ' 283' ' ' ASN . 64.0 mtm -151.55 131.26 13.16 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.247 -0.908 . . . . 0.0 109.261 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 285' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -76.96 138.03 39.41 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.269 -0.894 . . . . 0.0 109.435 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 286' ' ' SER . . . . . . . . . . . . . 96.8 p -78.17 166.04 23.22 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.338 -0.851 . . . . 0.0 109.535 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 287' ' ' ASN . . . . . 0.417 ' C ' HD22 ' A' ' 287' ' ' ASN . 0.6 OUTLIER -72.55 85.48 1.16 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.287 -0.883 . . . . 0.0 109.199 179.726 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 288' ' ' ASP . . . . . 0.401 ' OD2' ' OE1' ' A' ' 294' ' ' GLN . 15.9 p-10 -76.86 -160.09 0.15 Allowed 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.251 -0.905 . . . . 0.0 109.364 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 289' ' ' PHE . . . . . . . . . . . . . 42.1 p90 -165.47 27.03 0.05 Allowed 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.215 -0.928 . . . . 0.0 109.449 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 290' ' ' ASN . . . . . . . . . . . . . 45.9 p-10 -163.68 -142.39 0.06 Allowed 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.219 -0.926 . . . . 0.0 109.41 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 291' ' ' PHE . . . . . . . . . . . . . 24.0 p90 -170.34 22.65 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.221 -0.925 . . . . 0.0 109.481 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 292' ' ' GLU . . . . . . . . . . . . . 72.1 mt-10 -67.82 -29.24 68.35 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.243 -0.911 . . . . 0.0 109.432 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 293' ' ' ASN . . . . . 0.403 HD22 ' C ' ' A' ' 293' ' ' ASN . 0.4 OUTLIER -168.59 -73.82 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.21 -0.931 . . . . 0.0 109.437 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 294' ' ' GLN . . . . . 0.401 ' OE1' ' OD2' ' A' ' 288' ' ' ASP . 53.3 tt0 51.06 74.75 0.22 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.177 -0.952 . . . . 0.0 109.383 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 295' ' ' PHE . . . . . 0.521 ' CD2' ' O ' ' A' ' 295' ' ' PHE . 70.6 t80 -81.27 44.54 0.79 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.166 -0.959 . . . . 0.0 109.361 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . 12.0 t70 55.47 76.65 0.26 Allowed 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.303 -0.873 . . . . 0.0 109.395 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 297' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -141.12 -172.22 3.44 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.295 -0.878 . . . . 0.0 109.099 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 298' ' ' GLN . . . . . . . . . . . . . 35.0 mm-40 -81.65 -48.88 11.16 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.152 -0.968 . . . . 0.0 109.639 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 299' ' ' VAL . . . . . 0.522 ' O ' ' CB ' ' A' ' 300' ' ' SER . 48.8 t -132.06 -83.88 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.499 2.001 0 O-C-N 121.371 -0.83 . . . . 0.0 109.482 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 300' ' ' SER . . . . . 0.522 ' CB ' ' O ' ' A' ' 299' ' ' VAL . 3.3 m 156.18 -109.61 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.307 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 179.622 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 301' ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 -61.1 -24.48 66.28 Favored 'General case' 0 C--N 1.306 -1.294 0 N-CA-C 108.423 -0.955 . . . . 0.0 108.423 179.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 302' ' ' PHE . . . . . 0.509 ' CB ' HG11 ' A' ' 299' ' ' VAL . 19.8 t80 -67.72 -58.46 4.6 Favored 'General case' 0 C--N 1.306 -1.291 0 C-N-CA 119.093 -1.043 . . . . 0.0 109.376 -178.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 303' ' ' CYS . . . . . 0.498 ' SG ' ' OG ' ' B' ' 599' ' ' SER . 58.3 m -79.29 -51.6 9.23 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.253 -0.904 . . . . 0.0 110.117 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 19.2 t -48.26 -26.77 2.12 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.35 -0.844 . . . . 0.0 111.076 -178.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . 24.3 mtpp -102.09 -13.89 17.32 Favored 'General case' 0 N--CA 1.502 2.166 0 O-C-N 120.873 -1.142 . . . . 0.0 108.972 178.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 306' ' ' MET . . . . . . . . . . . . . 5.7 tpp -72.4 -27.07 62.13 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 120.55 -1.344 . . . . 0.0 107.507 177.029 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 307' ' ' ASN . . . . . 0.486 ' O ' ' N ' ' A' ' 310' ' ' CYS . 1.2 p-10 -86.42 -38.15 17.64 Favored 'General case' 0 N--CA 1.498 1.944 0 N-CA-C 106.734 -1.58 . . . . 0.0 106.734 178.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 308' ' ' GLN . . . . . 0.524 ' O ' ' N ' ' A' ' 311' ' ' GLY . 9.0 tp-100 -37.36 -41.16 0.4 Allowed 'General case' 0 N--CA 1.503 2.224 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 178.735 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 309' ' ' VAL . . . . . . . . . . . . . 15.1 t -46.73 -16.74 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.961 0 CA-C-O 122.081 0.944 . . . . 0.0 109.05 179.155 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 310' ' ' CYS . . . . . 0.515 ' N ' ' O ' ' A' ' 308' ' ' GLN . 54.5 m -93.1 -20.61 20.35 Favored 'General case' 0 C--N 1.303 -1.414 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.907 -179.162 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 311' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' A' ' 308' ' ' GLN . . . -79.35 144.5 27.07 Favored Glycine 0 N--CA 1.491 2.338 0 N-CA-C 109.462 -1.455 . . . . 0.0 109.462 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 312' ' ' THR . . . . . . . . . . . . . 70.8 p -77.72 108.66 11.09 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.234 -1.156 . . . . 0.0 109.509 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 313' ' ' ARG . . . . . . . . . . . . . 11.8 tpp180 . . . . . 0 N--CA 1.49 1.525 0 CA-C-O 117.993 -1.003 . . . . 0.0 109.406 179.861 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 565' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 . . . . . 0 N--CA 1.49 1.541 0 CA-C-O 121.347 0.594 . . . . 0.0 109.487 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 566' ' ' GLY . . . . . . . . . . . . . . . -177.79 149.38 9.22 Favored Glycine 0 N--CA 1.49 2.29 0 N-CA-C 109.53 -1.428 . . . . 0.0 109.53 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 567' ' ' SER . . . . . . . . . . . . . 40.7 t -63.02 122.48 16.15 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.262 -1.14 . . . . 0.0 109.43 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 568' ' ' SER . . . . . . . . . . . . . 29.6 t -169.46 -93.99 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.222 -0.924 . . . . 0.0 109.544 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 569' ' ' LEU . . . . . 0.441 ' O ' ' C ' ' B' ' 570' ' ' GLN . 26.8 mt 52.98 60.95 3.43 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.28 -0.888 . . . . 0.0 109.427 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 570' ' ' GLN . . . . . 0.441 ' C ' ' O ' ' B' ' 569' ' ' LEU . 11.6 pt20 32.28 -113.65 0.05 OUTLIER 'General case' 0 N--CA 1.503 2.214 0 CA-C-O 121.206 0.527 . . . . 0.0 110.899 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 571' ' ' ASN . . . . . . . . . . . . . 14.7 p30 -165.5 -32.39 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.194 -0.941 . . . . 0.0 109.389 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -169.15 -164.85 0.49 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.321 -0.862 . . . . 0.0 109.46 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 573' ' ' ASP . . . . . 0.434 ' O ' ' O ' ' B' ' 574' ' ' LYS . 37.0 t70 -71.37 136.91 48.01 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.294 -0.879 . . . . 0.0 109.408 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 574' ' ' LYS . . . . . 0.434 ' O ' ' O ' ' B' ' 573' ' ' ASP . 0.0 OUTLIER -54.76 -170.52 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.277 -0.889 . . . . 0.0 109.48 -179.872 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 575' ' ' ILE . . . . . . . . . . . . . 82.0 mt -133.58 -77.16 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.964 0 O-C-N 121.452 -0.78 . . . . 0.0 109.347 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 576' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -158.3 -84.89 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.224 -0.922 . . . . 0.0 109.422 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 577' ' ' ASN . . . . . . . . . . . . . 8.4 m120 51.38 -174.94 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.296 -0.877 . . . . 0.0 109.464 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 578' ' ' GLY . . . . . . . . . . . . . . . -178.05 -165.24 32.58 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 109.548 -1.421 . . . . 0.0 109.548 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 579' ' ' ASN . . . . . . . . . . . . . 53.0 m-20 51.91 44.16 29.64 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.239 -1.154 . . . . 0.0 109.477 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 580' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -61.8 -21.93 65.02 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.236 -0.915 . . . . 0.0 109.416 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 581' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -169.32 36.32 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.29 -0.881 . . . . 0.0 109.508 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 582' ' ' ASP . . . . . . . . . . . . . 25.2 t70 52.73 41.25 31.46 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.194 -0.941 . . . . 0.0 109.548 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 583' ' ' ASN . . . . . 0.468 ' ND2' ' H ' ' B' ' 584' ' ' ASP . 7.9 t-20 -169.96 174.65 5.46 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.147 -0.97 . . . . 0.0 109.462 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 584' ' ' ASP . . . . . 0.468 ' H ' ' ND2' ' B' ' 583' ' ' ASN . 16.8 p-10 -72.74 -157.98 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.164 -0.96 . . . . 0.0 109.501 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 585' ' ' ASN . . . . . . . . . . . . . 63.8 m-20 -63.06 -156.89 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.295 -0.878 . . . . 0.0 109.436 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 586' ' ' ASP . . . . . 0.406 ' C ' ' H ' ' B' ' 588' ' ' VAL . 61.2 m-20 -61.22 132.17 52.79 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.215 -0.928 . . . . 0.0 109.422 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 587' ' ' VAL . . . . . 0.458 ' O ' ' C ' ' B' ' 588' ' ' VAL . 2.7 t -77.75 11.84 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.134 -0.979 . . . . 0.0 109.211 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 588' ' ' VAL . . . . . 0.458 ' C ' ' O ' ' B' ' 587' ' ' VAL . 8.3 m 30.89 65.13 0.95 Allowed Pre-proline 0 N--CA 1.504 2.246 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.182 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 589' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -60.45 98.48 0.13 Allowed 'Trans proline' 0 C--N 1.318 -1.077 0 C-N-CA 121.388 1.392 . . . . 0.0 109.868 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 590' ' ' SER . . . . . . . . . . . . . 58.8 m -168.92 32.55 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.199 -0.938 . . . . 0.0 109.536 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 591' ' ' LYS . . . . . 0.428 ' O ' ' O ' ' B' ' 592' ' ' GLU . 59.6 tttp -91.53 -25.1 19.41 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.209 -0.932 . . . . 0.0 109.291 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 592' ' ' GLU . . . . . 0.428 ' O ' ' O ' ' B' ' 591' ' ' LYS . 29.1 tp10 44.32 94.17 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.736 -0.603 . . . . 0.0 110.102 179.699 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 593' ' ' GLY . . . . . . . . . . . . . . . -67.28 -143.89 0.08 OUTLIER Glycine 0 N--CA 1.488 2.148 0 N-CA-C 108.976 -1.65 . . . . 0.0 108.976 179.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 594' ' ' SER . . . . . 0.401 ' C ' HD12 ' B' ' 595' ' ' LEU . 69.6 m -108.77 164.51 12.32 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.444 -1.033 . . . . 0.0 110.0 179.788 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 595' ' ' LEU . . . . . 0.573 HD12 ' N ' ' B' ' 595' ' ' LEU . 8.4 mp -94.28 117.99 30.92 Favored 'General case' 0 C--N 1.3 -1.565 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 596' ' ' LEU . . . . . 0.594 HD12 ' H ' ' B' ' 596' ' ' LEU . 0.0 OUTLIER -128.93 146.67 50.89 Favored 'General case' 0 N--CA 1.505 2.279 0 O-C-N 121.343 -0.848 . . . . 0.0 108.85 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 597' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -86.67 -164.99 1.15 Allowed 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.259 -0.9 . . . . 0.0 109.858 -179.405 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 598' ' ' CYS . . . . . 0.493 ' O ' ' N ' ' B' ' 600' ' ' GLU . 5.2 p -67.93 -88.38 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.3 -0.875 . . . . 0.0 111.142 -178.436 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 599' ' ' SER . . . . . 0.498 ' OG ' ' SG ' ' A' ' 303' ' ' CYS . 1.4 m -44.69 -21.35 0.05 Allowed 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.042 -1.036 . . . . 0.0 109.206 -179.432 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 600' ' ' GLU . . . . . 0.493 ' N ' ' O ' ' B' ' 598' ' ' CYS . 5.0 tp10 -46.63 -39.92 12.12 Favored 'General case' 0 C--N 1.299 -1.605 0 CA-C-O 122.332 1.063 . . . . 0.0 108.633 179.354 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 601' ' ' ILE . . . . . 0.558 ' O ' ' N ' ' B' ' 604' ' ' ARG . 1.4 mp -69.89 -32.0 50.14 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.065 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 -178.54 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 602' ' ' TRP . . . . . 0.461 ' N ' ' O ' ' B' ' 599' ' ' SER . 17.7 t-105 -45.23 -38.15 5.22 Favored 'General case' 0 N--CA 1.493 1.698 0 N-CA-C 107.452 -1.314 . . . . 0.0 107.452 179.399 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 603' ' ' ASP . . . . . 0.432 ' O ' ' OG1' ' B' ' 606' ' ' THR . 39.9 t0 -68.07 -43.22 79.06 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 107.637 -1.246 . . . . 0.0 107.637 177.394 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 604' ' ' ARG . . . . . 0.558 ' N ' ' O ' ' B' ' 601' ' ' ILE . 25.4 mmt180 -55.4 -31.41 61.81 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.115 -0.991 . . . . 0.0 108.676 178.651 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 605' ' ' ILE . . . . . 0.401 ' O ' ' C ' ' B' ' 606' ' ' THR . 51.9 mt -80.76 -45.83 21.29 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.93 0 O-C-N 121.532 -0.73 . . . . 0.0 110.416 179.642 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 606' ' ' THR . . . . . 0.432 ' OG1' ' O ' ' B' ' 603' ' ' ASP . 16.4 p -42.89 -36.9 1.66 Allowed 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.28 -0.887 . . . . 0.0 110.189 -179.032 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 607' ' ' THR . . . . . . . . . . . . . 68.8 p -47.04 -48.94 22.03 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.212 -0.93 . . . . 0.0 109.76 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 608' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -67.38 147.72 98.81 Favored Pre-proline 0 N--CA 1.491 1.624 0 O-C-N 121.174 -0.954 . . . . 0.0 109.038 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 609' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_endo -62.09 -50.86 4.28 Favored 'Trans proline' 0 C--N 1.325 -0.688 0 C-N-CA 120.984 1.123 . . . . 0.0 109.851 179.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 610' ' ' LYS . . . . . 0.472 ' CB ' ' NZ ' ' B' ' 610' ' ' LYS . 6.1 ttpm? -142.96 119.74 11.2 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.253 -0.905 . . . . 0.0 109.447 -179.754 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 611' ' ' TYR . . . . . 0.524 ' O ' ' CD2' ' B' ' 611' ' ' TYR . 20.7 p90 -101.25 105.86 17.01 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.429 -0.795 . . . . 0.0 109.745 -179.766 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 612' ' ' SER . . . . . . . . . . . . . 95.4 p -136.43 -59.61 0.72 Allowed 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.333 -0.854 . . . . 0.0 110.098 -179.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 613' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -74.61 65.06 1.26 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.083 -1.011 . . . . 0.0 110.19 -179.343 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 614' ' ' ILE . . . . . . . . . . . . . 5.0 mt -144.6 2.77 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.932 0 O-C-N 121.131 -0.981 . . . . 0.0 109.295 179.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 615' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 57.59 90.64 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.915 -1.116 . . . . 0.0 109.071 -179.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 616' ' ' VAL . . . . . . . . . . . . . 47.0 t -78.36 -16.74 13.77 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 CA-C-O 121.755 0.788 . . . . 0.0 108.94 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 617' ' ' ASP . . . . . 0.415 ' O ' ' SG ' ' B' ' 620' ' ' CYS . 1.4 m-20 -74.61 -32.72 62.42 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.427 -0.795 . . . . 0.0 109.301 179.516 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 618' ' ' GLY . . . . . 0.423 ' O ' ' OE1' ' B' ' 622' ' ' GLU . . . -68.68 -34.52 78.46 Favored Glycine 0 N--CA 1.49 2.233 0 N-CA-C 109.672 -1.371 . . . . 0.0 109.672 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 619' ' ' LEU . . . . . 0.483 HD13 HD21 ' B' ' 645' ' ' LEU . 1.9 mt -68.17 -28.98 67.75 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.025 -1.28 . . . . 0.0 108.547 179.796 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 620' ' ' CYS . . . . . 0.581 ' SG ' ' N ' ' B' ' 621' ' ' SER . 1.5 p -65.99 -47.56 74.14 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.236 -0.915 . . . . 0.0 110.479 -179.65 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 621' ' ' SER . . . . . 0.581 ' N ' ' SG ' ' B' ' 620' ' ' CYS . 34.9 t -83.01 -2.12 54.43 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 120.489 -1.382 . . . . 0.0 110.423 -179.344 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 622' ' ' GLU . . . . . 0.492 ' OE2' ' CE1' ' B' ' 648' ' ' HIS . 34.0 mt-10 -99.78 -43.99 6.24 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.007 -1.058 . . . . 0.0 109.135 177.718 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 623' ' ' LEU . . . . . 0.402 HD12 ' N ' ' B' ' 623' ' ' LEU . 8.3 mp -86.43 -20.76 27.7 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 120.994 -1.066 . . . . 0.0 110.277 -179.719 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 624' ' ' MET . . . . . . . . . . . . . 10.3 ttt -72.33 -28.76 63.26 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 120.845 -1.159 . . . . 0.0 111.818 -178.153 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 625' ' ' ALA . . . . . . . . . . . . . . . -105.32 -4.74 21.19 Favored 'General case' 0 N--CA 1.505 2.322 0 O-C-N 120.694 -1.254 . . . . 0.0 109.632 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 626' ' ' LYS . . . . . . . . . . . . . 53.7 mmtt -91.29 -13.72 32.14 Favored 'General case' 0 N--CA 1.492 1.636 0 N-CA-C 106.336 -1.727 . . . . 0.0 106.336 176.358 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 627' ' ' ALA . . . . . . . . . . . . . . . -45.15 136.18 5.16 Favored 'General case' 0 N--CA 1.491 1.618 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.171 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 628' ' ' LYS . . . . . . . . . . . . . 5.2 mtpm? -113.52 92.05 3.86 Favored 'General case' 0 N--CA 1.498 1.968 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 178.362 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 629' ' ' CYS . . . . . . . . . . . . . 81.6 m -53.53 119.41 4.83 Favored 'General case' 0 N--CA 1.493 1.694 0 CA-C-O 122.459 1.123 . . . . 0.0 111.829 -177.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 630' ' ' SER . . . . . . . . . . . . . 48.2 t -142.88 160.06 41.05 Favored 'General case' 0 N--CA 1.493 1.72 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 178.316 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 631' ' ' GLU . . . . . 0.506 ' C ' ' H ' ' B' ' 633' ' ' GLY . 40.8 mt-10 -64.28 -22.46 66.96 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.34 -1.475 . . . . 0.0 109.365 -179.686 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 632' ' ' ARG . . . . . 0.542 ' CG ' HH11 ' B' ' 632' ' ' ARG . 0.3 OUTLIER -79.47 33.68 0.25 Allowed 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 107.572 -1.27 . . . . 0.0 107.572 178.125 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 633' ' ' GLY . . . . . 0.506 ' H ' ' C ' ' B' ' 631' ' ' GLU . . . 73.1 -170.67 51.82 Favored Glycine 0 N--CA 1.49 2.285 0 N-CA-C 107.531 -2.227 . . . . 0.0 107.531 -178.489 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 634' ' ' VAL . . . . . . . . . . . . . 7.1 p -77.32 141.16 15.96 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.43 0 O-C-N 120.423 -1.634 . . . . 0.0 109.631 179.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 33.6 m -135.87 140.34 44.36 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.965 0 O-C-N 121.23 -0.919 . . . . 0.0 109.24 179.116 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 636' ' ' ILE . . . . . 0.54 ' O ' HD12 ' B' ' 596' ' ' LEU . 95.8 mt -133.75 154.67 38.86 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.893 0 O-C-N 121.439 -0.788 . . . . 0.0 109.209 -179.383 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 637' ' ' ASN . . . . . 0.522 ' O ' ' N ' ' B' ' 639' ' ' GLU . 0.7 OUTLIER -85.84 129.47 34.82 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.095 -1.003 . . . . 0.0 109.819 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 638' ' ' ALA . . . . . 0.557 ' C ' HE21 ' B' ' 642' ' ' GLN . . . -46.83 -10.64 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.759 -0.588 . . . . 0.0 110.827 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 639' ' ' GLU . . . . . 0.522 ' N ' ' O ' ' B' ' 637' ' ' ASN . 34.3 tt0 -78.27 -18.54 55.16 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.887 -1.133 . . . . 0.0 110.089 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 640' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -86.54 -50.92 6.49 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 120.359 -1.463 . . . . 0.0 108.724 178.066 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 641' ' ' VAL . . . . . 0.413 HG12 ' H ' ' B' ' 641' ' ' VAL . 0.8 OUTLIER -60.82 -46.66 95.81 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 120.851 -1.156 . . . . 0.0 108.578 178.671 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 642' ' ' GLN . . . . . 0.557 HE21 ' C ' ' B' ' 638' ' ' ALA . 33.4 mt-30 -57.98 -36.41 72.58 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.0 -1.063 . . . . 0.0 109.52 -179.758 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 643' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -83.5 -20.3 34.21 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.17 -0.957 . . . . 0.0 108.65 178.69 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 644' ' ' ALA . . . . . . . . . . . . . . . -87.54 -33.14 19.04 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.905 -1.122 . . . . 0.0 108.913 178.385 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 645' ' ' LEU . . . . . 0.534 ' O ' ' N ' ' B' ' 647' ' ' LYS . 34.7 mt -84.72 -69.54 0.64 Allowed 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.156 -0.965 . . . . 0.0 109.185 179.317 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 646' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -45.9 -14.23 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.215 -0.928 . . . . 0.0 110.367 -179.182 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 647' ' ' LYS . . . . . 0.534 ' N ' ' O ' ' B' ' 645' ' ' LEU . 79.0 tttt -97.4 -9.82 26.64 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.003 -1.061 . . . . 0.0 109.709 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 648' ' ' HIS . . . . . 0.492 ' CE1' ' OE2' ' B' ' 622' ' ' GLU . 0.3 OUTLIER -111.25 12.77 21.74 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.422 -0.799 . . . . 0.0 109.49 -179.888 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 649' ' ' MET . . . . . . . . . . . . . 36.9 tpp -96.92 133.57 41.38 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.189 -0.945 . . . . 0.0 109.447 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 650' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 . . . . . 0 N--CA 1.49 1.555 0 CA-C-O 118.057 -0.973 . . . . 0.0 109.47 179.968 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 279' ' ' ASN . . . . . . . . . . . . . 70.6 m-20 . . . . . 0 N--CA 1.49 1.559 0 CA-C-O 121.302 0.573 . . . . 0.0 109.471 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 280' ' ' LEU . . . . . 0.565 HD12 ' N ' ' A' ' 280' ' ' LEU . 8.4 mp -64.18 87.33 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.2 -0.937 . . . . 0.0 109.23 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 281' ' ' ASP . . . . . 0.456 ' OD2' ' N ' ' A' ' 282' ' ' SER . 5.6 p-10 -171.41 -117.0 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.262 -0.899 . . . . 0.0 109.504 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 282' ' ' SER . . . . . 0.456 ' N ' ' OD2' ' A' ' 281' ' ' ASP . 5.1 p 61.73 149.33 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.354 -0.841 . . . . 0.0 109.447 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 283' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 -66.24 103.96 1.1 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.282 -0.886 . . . . 0.0 109.429 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 284' ' ' MET . . . . . . . . . . . . . 28.1 ttt -70.13 -73.38 0.17 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.289 -0.882 . . . . 0.0 109.408 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 285' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -69.67 120.26 15.17 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.209 -0.932 . . . . 0.0 109.364 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 286' ' ' SER . . . . . . . . . . . . . 48.8 m -68.47 132.57 47.21 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.197 -0.94 . . . . 0.0 109.423 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 287' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -64.57 128.81 37.38 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.314 -0.866 . . . . 0.0 109.459 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 288' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -169.71 -53.49 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.234 -0.916 . . . . 0.0 109.399 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 289' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -169.32 79.23 0.12 Allowed 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.236 -0.915 . . . . 0.0 109.438 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 290' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -73.71 -123.18 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.256 -0.903 . . . . 0.0 109.309 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 291' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 51.43 33.45 10.22 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.168 -0.958 . . . . 0.0 109.559 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 292' ' ' GLU . . . . . 0.431 ' O ' ' O ' ' A' ' 293' ' ' ASN . 4.6 tm-20 -169.9 -35.96 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.223 -0.923 . . . . 0.0 109.203 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 293' ' ' ASN . . . . . 0.431 ' O ' ' O ' ' A' ' 292' ' ' GLU . 4.8 m-20 59.89 117.04 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.408 -0.807 . . . . 0.0 109.627 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 294' ' ' GLN . . . . . 0.525 ' NE2' ' O ' ' A' ' 295' ' ' PHE . 0.1 OUTLIER -166.72 134.81 2.7 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.265 -0.897 . . . . 0.0 109.29 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 295' ' ' PHE . . . . . 0.525 ' O ' ' NE2' ' A' ' 294' ' ' GLN . 52.0 t80 -48.28 135.32 13.71 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.242 -0.911 . . . . 0.0 109.647 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 296' ' ' ASP . . . . . 0.418 ' OD2' ' O ' ' A' ' 294' ' ' GLN . 37.6 m-20 -158.97 -89.98 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.124 -0.985 . . . . 0.0 109.498 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 297' ' ' GLU . . . . . 0.401 ' O ' ' O ' ' A' ' 296' ' ' ASP . 34.4 mt-10 55.32 171.68 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.261 -0.899 . . . . 0.0 109.563 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 298' ' ' GLN . . . . . 0.595 ' CD ' ' H ' ' A' ' 298' ' ' GLN . 0.1 OUTLIER -104.91 -7.29 19.43 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.476 -0.765 . . . . 0.0 109.453 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 299' ' ' VAL . . . . . 0.637 HG22 ' O ' ' A' ' 299' ' ' VAL . 2.0 p -85.04 68.79 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 CA-C-O 122.007 0.908 . . . . 0.0 109.042 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 300' ' ' SER . . . . . 0.532 ' O ' ' N ' ' A' ' 304' ' ' SER . 6.4 t -136.66 -127.37 0.14 Allowed 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.642 -0.661 . . . . 0.0 109.962 -178.231 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 301' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -45.34 -31.79 1.77 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.426 -0.796 . . . . 0.0 109.317 179.405 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 302' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -65.02 -58.73 5.34 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.279 -0.888 . . . . 0.0 109.512 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 303' ' ' CYS . . . . . . . . . . . . . 60.9 m -84.75 -42.87 14.79 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.348 -0.845 . . . . 0.0 110.396 -179.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 304' ' ' SER . . . . . 0.532 ' N ' ' O ' ' A' ' 300' ' ' SER . 40.2 t -54.2 -25.13 21.19 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.22 -0.925 . . . . 0.0 110.0 -179.413 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . 9.7 tmtt? -97.09 -22.18 16.93 Favored 'General case' 0 N--CA 1.5 2.068 0 N-CA-C 107.046 -1.464 . . . . 0.0 107.046 178.22 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 306' ' ' MET . . . . . 0.516 ' O ' HG22 ' A' ' 309' ' ' VAL . 15.3 ttt -70.45 -19.61 62.95 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 106.941 -1.503 . . . . 0.0 106.941 176.398 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 307' ' ' ASN . . . . . 0.437 ' O ' ' C ' ' A' ' 308' ' ' GLN . 87.9 m-20 -82.96 -38.29 22.94 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 106.076 -1.824 . . . . 0.0 106.076 178.339 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 308' ' ' GLN . . . . . 0.534 ' O ' ' N ' ' A' ' 310' ' ' CYS . 6.5 tp-100 -36.99 -41.41 0.34 Allowed 'General case' 0 N--CA 1.507 2.415 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 178.605 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 309' ' ' VAL . . . . . 0.516 HG22 ' O ' ' A' ' 306' ' ' MET . 10.3 m -43.03 -20.36 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.501 2.122 0 CA-C-O 122.055 0.931 . . . . 0.0 109.104 178.656 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 310' ' ' CYS . . . . . 0.534 ' N ' ' O ' ' A' ' 308' ' ' GLN . 67.9 m -102.02 -31.67 10.54 Favored 'General case' 0 N--CA 1.488 1.466 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.564 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 311' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 308' ' ' GLN . . . -74.5 117.46 5.51 Favored Glycine 0 N--CA 1.492 2.394 0 N-CA-C 109.695 -1.362 . . . . 0.0 109.695 -179.816 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 312' ' ' THR . . . . . . . . . . . . . 76.9 p -96.9 121.02 38.31 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.275 -1.132 . . . . 0.0 109.343 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 313' ' ' ARG . . . . . 0.584 HH11 ' CG ' ' A' ' 313' ' ' ARG . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.611 0 CA-C-O 117.97 -1.014 . . . . 0.0 109.476 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 565' ' ' ASN . . . . . 0.467 ' O ' ' N ' ' B' ' 567' ' ' SER . 35.2 m120 . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 566' ' ' GLY . . . . . . . . . . . . . . . -69.84 45.54 0.55 Allowed Glycine 0 N--CA 1.49 2.264 0 N-CA-C 109.546 -1.421 . . . . 0.0 109.546 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 567' ' ' SER . . . . . 0.467 ' N ' ' O ' ' B' ' 565' ' ' ASN . 52.5 m -64.26 -49.28 72.5 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.255 -1.144 . . . . 0.0 109.507 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 568' ' ' SER . . . . . 0.403 ' O ' ' N ' ' B' ' 570' ' ' GLN . 89.9 p -63.6 -59.07 5.09 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.265 -0.897 . . . . 0.0 109.472 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 569' ' ' LEU . . . . . . . . . . . . . 10.8 tp -69.84 59.42 0.15 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.209 -0.932 . . . . 0.0 109.339 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 570' ' ' GLN . . . . . 0.403 ' N ' ' O ' ' B' ' 568' ' ' SER . 48.7 tt0 -61.76 134.57 56.91 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.222 -0.924 . . . . 0.0 109.485 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 571' ' ' ASN . . . . . . . . . . . . . 15.2 p-10 -68.45 73.91 0.24 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.215 -0.928 . . . . 0.0 109.49 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -169.51 93.9 0.27 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.246 -0.909 . . . . 0.0 109.475 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 573' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -66.28 -9.97 37.85 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.262 -0.899 . . . . 0.0 109.497 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 574' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -70.45 130.6 42.32 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.29 -0.881 . . . . 0.0 109.488 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 575' ' ' ILE . . . . . . . . . . . . . 7.3 tp -61.54 153.46 5.59 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.333 -0.855 . . . . 0.0 109.225 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 576' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 -147.94 144.75 28.25 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.242 -0.911 . . . . 0.0 109.371 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 577' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -67.87 -10.86 56.57 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.282 -0.886 . . . . 0.0 109.555 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 578' ' ' GLY . . . . . . . . . . . . . . . 73.39 -85.53 0.61 Allowed Glycine 0 N--CA 1.49 2.252 0 N-CA-C 109.505 -1.438 . . . . 0.0 109.505 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 579' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -168.36 -43.92 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.254 -1.145 . . . . 0.0 109.53 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 580' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -167.28 111.03 0.69 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.306 -0.871 . . . . 0.0 109.5 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 581' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -172.67 58.97 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.26 -0.9 . . . . 0.0 109.466 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 582' ' ' ASP . . . . . 0.501 ' OD1' ' ND2' ' B' ' 585' ' ' ASN . 3.7 p30 -171.71 145.21 1.94 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.159 -0.963 . . . . 0.0 109.556 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 583' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -65.58 -120.62 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.205 -0.935 . . . . 0.0 109.375 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 584' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.7 122.12 13.34 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.227 -0.921 . . . . 0.0 109.486 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 585' ' ' ASN . . . . . 0.501 ' ND2' ' OD1' ' B' ' 582' ' ' ASP . 11.4 m120 -64.29 143.4 57.92 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.243 -0.911 . . . . 0.0 109.495 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 586' ' ' ASP . . . . . 0.427 ' O ' ' O ' ' B' ' 585' ' ' ASN . 47.8 m-20 -60.41 -152.06 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.32 -0.863 . . . . 0.0 109.433 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 587' ' ' VAL . . . . . . . . . . . . . 1.7 m -133.37 112.04 17.02 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.878 0 O-C-N 121.498 -0.751 . . . . 0.0 109.207 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 588' ' ' VAL . . . . . 0.652 ' N ' ' CD ' ' B' ' 589' ' ' PRO . 2.3 t -91.77 -34.46 0.35 Allowed Pre-proline 0 N--CA 1.494 1.727 0 O-C-N 121.327 -0.858 . . . . 0.0 111.742 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 589' ' ' PRO . . . . . 0.652 ' CD ' ' N ' ' B' ' 588' ' ' VAL . 3.7 Cg_exo -66.73 119.46 6.49 Favored 'Trans proline' 0 C--N 1.326 -0.641 0 C-N-CA 120.612 0.874 . . . . 0.0 109.898 -178.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 590' ' ' SER . . . . . . . . . . . . . 91.6 p -162.01 112.03 1.55 Allowed 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.347 -0.845 . . . . 0.0 109.199 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 591' ' ' LYS . . . . . . . . . . . . . 19.7 tptm -163.1 148.21 11.55 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.21 -0.931 . . . . 0.0 109.14 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -52.0 131.18 31.29 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.195 -0.941 . . . . 0.0 109.106 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 593' ' ' GLY . . . . . . . . . . . . . . . -155.99 110.09 0.43 Allowed Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.192 -1.563 . . . . 0.0 109.192 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 594' ' ' SER . . . . . 0.414 ' C ' HD22 ' B' ' 595' ' ' LEU . 60.6 m -81.16 166.61 20.5 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.194 -1.18 . . . . 0.0 110.162 -179.773 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 595' ' ' LEU . . . . . 0.64 HD22 ' N ' ' B' ' 595' ' ' LEU . 3.6 mm? -94.2 125.53 38.9 Favored 'General case' 0 C--N 1.3 -1.581 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 179.591 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 596' ' ' LEU . . . . . . . . . . . . . 1.2 mp -128.27 154.33 46.01 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.295 -0.878 . . . . 0.0 109.623 -179.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 597' ' ' ARG . . . . . . . . . . . . . 86.3 mtt180 -102.14 -143.99 0.35 Allowed 'General case' 0 N--CA 1.501 2.105 0 O-C-N 121.473 -0.767 . . . . 0.0 111.42 -178.103 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 598' ' ' CYS . . . . . 0.593 ' SG ' ' N ' ' B' ' 599' ' ' SER . 12.5 t -75.98 -100.21 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.615 -0.678 . . . . 0.0 111.217 -178.217 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 599' ' ' SER . . . . . 0.593 ' N ' ' SG ' ' B' ' 598' ' ' CYS . 91.0 p -44.3 -19.89 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.951 0 CA-C-O 122.149 0.976 . . . . 0.0 109.377 -179.045 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 600' ' ' GLU . . . . . 0.517 ' N ' ' O ' ' B' ' 598' ' ' CYS . 11.9 tp10 -47.31 -40.28 16.65 Favored 'General case' 0 C--N 1.3 -1.557 0 CA-C-O 122.668 1.223 . . . . 0.0 108.392 178.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 601' ' ' ILE . . . . . 0.576 ' O ' ' N ' ' B' ' 604' ' ' ARG . 1.4 mp -68.87 -31.72 51.77 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.077 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -178.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 602' ' ' TRP . . . . . 0.464 ' N ' ' O ' ' B' ' 599' ' ' SER . 59.1 t-105 -45.37 -39.95 7.41 Favored 'General case' 0 N--CA 1.494 1.738 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 179.519 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 603' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -65.13 -42.6 93.73 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 107.432 -1.322 . . . . 0.0 107.432 177.351 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 604' ' ' ARG . . . . . 0.576 ' N ' ' O ' ' B' ' 601' ' ' ILE . 0.2 OUTLIER -56.24 -43.9 79.1 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.23 -0.918 . . . . 0.0 109.183 178.65 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 605' ' ' ILE . . . . . . . . . . . . . 19.8 mm -58.66 -47.17 89.61 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.922 0 O-C-N 121.431 -0.793 . . . . 0.0 110.246 179.259 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 606' ' ' THR . . . . . . . . . . . . . 68.7 p -54.63 -48.57 72.09 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.747 -1.221 . . . . 0.0 110.394 -179.13 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 607' ' ' THR . . . . . . . . . . . . . 44.5 p -69.72 8.39 0.69 Allowed 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.03 -1.044 . . . . 0.0 110.567 -179.189 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 608' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -118.07 88.3 31.38 Favored Pre-proline 0 N--CA 1.501 2.084 0 O-C-N 121.292 -0.88 . . . . 0.0 110.028 -179.586 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 609' ' ' PRO . . . . . . . . . . . . . 8.3 Cg_exo -56.79 153.3 37.66 Favored 'Trans proline' 0 C--N 1.321 -0.894 0 C-N-CA 121.318 1.345 . . . . 0.0 109.917 179.438 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 610' ' ' LYS . . . . . . . . . . . . . 29.5 mmtp 55.76 54.1 8.63 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.413 -0.804 . . . . 0.0 109.367 -179.488 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 611' ' ' TYR . . . . . . . . . . . . . 54.6 p90 -92.82 12.22 24.35 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.289 -0.882 . . . . 0.0 109.7 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 612' ' ' SER . . . . . 0.554 ' C ' ' H ' ' B' ' 614' ' ' ILE . 40.5 t -79.4 -39.29 32.82 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.056 -1.027 . . . . 0.0 109.622 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 613' ' ' ASP . . . . . . . . . . . . . 45.9 m-20 -59.49 8.87 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.182 -0.948 . . . . 0.0 110.936 -179.529 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 614' ' ' ILE . . . . . 0.581 HG22 ' N ' ' B' ' 615' ' ' ASP . 89.3 mt -104.55 167.77 2.7 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.889 0 O-C-N 120.887 -1.133 . . . . 0.0 109.252 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 615' ' ' ASP . . . . . 0.581 ' N ' HG22 ' B' ' 614' ' ' ILE . 65.1 m-20 -113.28 118.37 34.44 Favored 'General case' 0 N--CA 1.492 1.635 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 179.088 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 616' ' ' VAL . . . . . . . . . . . . . 79.4 t -76.18 -19.04 15.23 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.558 0 O-C-N 121.234 -0.916 . . . . 0.0 108.953 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 617' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.89 -41.05 23.69 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.324 -0.86 . . . . 0.0 110.072 -179.553 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 618' ' ' GLY . . . . . . . . . . . . . . . -69.24 -49.32 40.39 Favored Glycine 0 N--CA 1.489 2.215 0 N-CA-C 109.099 -1.601 . . . . 0.0 109.099 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 619' ' ' LEU . . . . . 0.686 ' C ' HD12 ' B' ' 619' ' ' LEU . 1.0 OUTLIER -64.36 -20.01 65.84 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.245 -1.15 . . . . 0.0 108.938 179.685 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 620' ' ' CYS . . . . . . . . . . . . . 10.2 t -72.69 -43.79 62.62 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.103 -0.998 . . . . 0.0 109.208 179.325 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 17.2 m -80.37 -0.34 36.51 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.016 -1.053 . . . . 0.0 108.661 179.144 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 622' ' ' GLU . . . . . . . . . . . . . 58.5 tt0 -97.52 -45.31 6.47 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.415 -0.803 . . . . 0.0 109.326 177.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 623' ' ' LEU . . . . . . . . . . . . . 9.6 mp -85.44 -27.92 25.41 Favored 'General case' 0 N--CA 1.501 2.08 0 O-C-N 120.614 -1.304 . . . . 0.0 109.858 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 624' ' ' MET . . . . . . . . . . . . . 23.7 ttm -64.09 -32.45 74.01 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.255 -0.903 . . . . 0.0 112.239 -177.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 625' ' ' ALA . . . . . . . . . . . . . . . -105.02 -5.87 20.54 Favored 'General case' 0 N--CA 1.507 2.382 0 O-C-N 120.818 -1.176 . . . . 0.0 110.001 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 626' ' ' LYS . . . . . . . . . . . . . 58.5 mmtt -88.67 -10.0 50.05 Favored 'General case' 0 N--CA 1.493 1.687 0 N-CA-C 106.041 -1.837 . . . . 0.0 106.041 176.175 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 627' ' ' ALA . . . . . . . . . . . . . . . -45.52 137.26 5.15 Favored 'General case' 0 N--CA 1.491 1.595 0 CA-C-N 115.246 -0.888 . . . . 0.0 111.435 -179.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 628' ' ' LYS . . . . . . . . . . . . . 27.7 mmtp -115.11 92.21 3.86 Favored 'General case' 0 N--CA 1.499 2.009 0 N-CA-C 107.915 -1.143 . . . . 0.0 107.915 178.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 629' ' ' CYS . . . . . . . . . . . . . 96.3 m -54.57 124.28 15.74 Favored 'General case' 0 N--CA 1.493 1.679 0 CA-C-O 122.491 1.139 . . . . 0.0 112.313 -177.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 630' ' ' SER . . . . . . . . . . . . . 43.4 t -143.04 159.24 42.63 Favored 'General case' 0 N--CA 1.491 1.61 0 N-CA-C 107.163 -1.421 . . . . 0.0 107.163 177.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 631' ' ' GLU . . . . . 0.619 ' H ' ' CD ' ' B' ' 631' ' ' GLU . 1.3 pm0 -63.27 -19.77 64.86 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.279 -1.513 . . . . 0.0 109.324 -179.576 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 90.9 mtt180 -81.63 33.86 0.37 Allowed 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 107.395 -1.335 . . . . 0.0 107.395 177.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 633' ' ' GLY . . . . . 0.477 ' H ' ' C ' ' B' ' 631' ' ' GLU . . . 73.65 -169.34 53.52 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 107.747 -2.141 . . . . 0.0 107.747 -178.448 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 634' ' ' VAL . . . . . . . . . . . . . 7.6 p -77.55 144.36 11.57 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.416 0 O-C-N 120.476 -1.602 . . . . 0.0 109.445 179.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 28.2 m -138.11 141.17 38.93 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.0 0 O-C-N 121.065 -1.022 . . . . 0.0 109.394 179.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 636' ' ' ILE . . . . . . . . . . . . . 88.4 mt -131.6 151.69 35.85 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.949 0 O-C-N 121.505 -0.747 . . . . 0.0 109.426 -179.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 637' ' ' ASN . . . . . 0.407 ' O ' ' N ' ' B' ' 639' ' ' GLU . 28.1 m-20 -86.39 133.23 33.8 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.214 -0.929 . . . . 0.0 109.455 179.794 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -48.92 -11.02 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.735 -0.603 . . . . 0.0 111.766 -179.14 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 639' ' ' GLU . . . . . 0.407 ' N ' ' O ' ' B' ' 637' ' ' ASN . 7.7 pt-20 -85.76 -21.81 28.02 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 120.543 -1.348 . . . . 0.0 111.338 -178.783 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 640' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -82.83 -38.82 22.52 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 120.228 -1.545 . . . . 0.0 108.051 178.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 641' ' ' VAL . . . . . 0.601 HG13 ' N ' ' B' ' 642' ' ' GLN . 7.0 p -71.91 -51.52 30.81 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.633 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 177.65 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 642' ' ' GLN . . . . . 0.601 ' N ' HG13 ' B' ' 641' ' ' VAL . 67.1 tp60 -48.73 -31.76 7.41 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.735 -1.228 . . . . 0.0 108.837 179.748 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 643' ' ' LEU . . . . . . . . . . . . . 68.8 mt -84.17 -17.71 39.06 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.081 -1.012 . . . . 0.0 108.872 177.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 644' ' ' ALA . . . . . 0.536 ' N ' ' O ' ' B' ' 641' ' ' VAL . . . -87.91 -32.77 18.77 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 120.828 -1.17 . . . . 0.0 109.351 178.536 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 645' ' ' LEU . . . . . . . . . . . . . 64.2 mt -87.24 -24.57 24.34 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.163 -0.96 . . . . 0.0 110.001 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 646' ' ' ASN . . . . . . . . . . . . . 37.9 t30 -91.23 -12.67 34.57 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 120.886 -1.133 . . . . 0.0 110.313 -179.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 647' ' ' LYS . . . . . . . . . . . . . 39.5 mttp -89.43 -4.79 57.86 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 120.877 -1.139 . . . . 0.0 109.248 179.629 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 648' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -112.84 18.97 17.77 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.442 -0.786 . . . . 0.0 109.58 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 649' ' ' MET . . . . . . . . . . . . . 44.2 mtt -96.29 122.74 39.49 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.143 -0.973 . . . . 0.0 109.345 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 650' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 . . . . . 0 N--CA 1.49 1.546 0 CA-C-O 118.002 -0.999 . . . . 0.0 109.464 -179.966 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 279' ' ' ASN . . . . . . . . . . . . . 6.1 m120 . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . 16.1 mt -69.21 128.54 36.98 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.248 -0.908 . . . . 0.0 109.445 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 281' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -167.2 46.63 0.06 Allowed 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.25 -0.906 . . . . 0.0 109.419 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 282' ' ' SER . . . . . 0.495 ' OG ' ' SD ' ' A' ' 284' ' ' MET . 9.5 t -167.8 -171.75 1.68 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.276 -0.89 . . . . 0.0 109.433 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 283' ' ' ASN . . . . . . . . . . . . . 19.7 t30 -171.32 69.79 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.196 -0.94 . . . . 0.0 109.599 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 284' ' ' MET . . . . . 0.592 ' N ' ' SD ' ' A' ' 284' ' ' MET . 0.0 OUTLIER -75.89 169.76 17.53 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.215 -0.928 . . . . 0.0 109.122 179.904 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 285' ' ' PHE . . . . . 0.432 ' O ' ' O ' ' A' ' 286' ' ' SER . 22.8 m-85 -64.72 -144.27 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.224 -0.923 . . . . 0.0 109.462 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 286' ' ' SER . . . . . 0.432 ' O ' ' O ' ' A' ' 285' ' ' PHE . 2.1 m 60.22 151.21 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.284 -0.885 . . . . 0.0 109.671 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 287' ' ' ASN . . . . . 0.428 HD21 ' N ' ' A' ' 290' ' ' ASN . 3.0 t-20 -74.06 124.52 26.43 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.206 -0.934 . . . . 0.0 109.209 179.785 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 288' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -77.83 -21.06 52.04 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.247 -0.908 . . . . 0.0 109.241 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 289' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -166.83 -60.62 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.295 -0.878 . . . . 0.0 109.567 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 290' ' ' ASN . . . . . 0.428 ' N ' HD21 ' A' ' 287' ' ' ASN . 50.2 t30 -168.3 -15.45 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.211 -0.93 . . . . 0.0 109.574 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 291' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -74.44 53.34 0.53 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.255 -0.903 . . . . 0.0 109.327 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 292' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -165.78 94.8 0.6 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.249 -0.907 . . . . 0.0 109.537 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 293' ' ' ASN . . . . . 0.678 HD22 ' N ' ' A' ' 293' ' ' ASN . 0.0 OUTLIER -67.94 77.06 0.22 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.278 -0.889 . . . . 0.0 109.543 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 294' ' ' GLN . . . . . 0.526 ' O ' ' N ' ' A' ' 296' ' ' ASP . 16.7 tt0 -171.88 -5.56 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.35 -0.844 . . . . 0.0 108.82 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 295' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 57.87 -77.89 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.622 -0.674 . . . . 0.0 109.856 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 296' ' ' ASP . . . . . 0.526 ' N ' ' O ' ' A' ' 294' ' ' GLN . 12.8 p-10 -163.73 101.37 0.91 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.713 -1.242 . . . . 0.0 110.853 -179.674 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 297' ' ' GLU . . . . . 0.462 ' C ' ' H ' ' A' ' 299' ' ' VAL . 39.5 tt0 -93.89 -71.18 0.67 Allowed 'General case' 0 N--CA 1.495 1.804 0 N-CA-C 108.122 -1.066 . . . . 0.0 108.122 178.583 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 298' ' ' GLN . . . . . 0.425 ' O ' ' O ' ' A' ' 299' ' ' VAL . 1.1 tm0? 64.02 -6.39 0.26 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.523 -0.736 . . . . 0.0 110.356 178.65 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 299' ' ' VAL . . . . . 0.462 ' H ' ' C ' ' A' ' 297' ' ' GLU . 8.0 t 60.55 109.44 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.078 -1.014 . . . . 0.0 108.556 -179.374 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 300' ' ' SER . . . . . 0.484 ' O ' ' N ' ' A' ' 302' ' ' PHE . 23.2 t -134.36 -115.1 0.2 Allowed 'General case' 0 N--CA 1.5 2.028 0 O-C-N 121.616 -0.678 . . . . 0.0 110.821 -177.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 301' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 300' ' ' SER . 12.8 pt-20 -42.06 -25.22 0.06 Allowed 'General case' 0 N--CA 1.487 1.414 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 179.613 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 302' ' ' PHE . . . . . 0.484 ' N ' ' O ' ' A' ' 300' ' ' SER . 67.9 t80 -63.03 -66.13 0.59 Allowed 'General case' 0 C--N 1.302 -1.467 0 C-N-CA 119.711 -0.796 . . . . 0.0 109.1 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 303' ' ' CYS . . . . . . . . . . . . . 16.5 t -83.4 -46.09 12.93 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.331 -0.856 . . . . 0.0 109.855 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 49.2 m -48.66 -26.59 2.36 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.355 -0.841 . . . . 0.0 110.17 -179.463 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . 58.3 tttm -102.26 -14.91 16.79 Favored 'General case' 0 N--CA 1.502 2.131 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 178.275 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 306' ' ' MET . . . . . . . . . . . . . 2.4 tpp -71.59 -25.74 62.31 Favored 'General case' 0 C--N 1.301 -1.537 0 N-CA-C 107.579 -1.267 . . . . 0.0 107.579 176.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 307' ' ' ASN . . . . . 0.433 ' O ' ' C ' ' A' ' 308' ' ' GLN . 88.7 m-20 -87.21 -39.28 15.6 Favored 'General case' 0 N--CA 1.494 1.734 0 N-CA-C 106.679 -1.6 . . . . 0.0 106.679 178.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 308' ' ' GLN . . . . . 0.542 ' O ' ' N ' ' A' ' 310' ' ' CYS . 8.5 tp-100 -36.27 -39.3 0.18 Allowed 'General case' 0 N--CA 1.505 2.277 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.486 178.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 309' ' ' VAL . . . . . 0.418 ' CG2' ' SD ' ' B' ' 624' ' ' MET . 38.6 t -46.85 -13.01 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.891 0 C-N-CA 119.905 -0.718 . . . . 0.0 109.644 179.46 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 310' ' ' CYS . . . . . 0.542 ' N ' ' O ' ' A' ' 308' ' ' GLN . 8.9 t -72.24 -47.95 46.48 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.391 -0.818 . . . . 0.0 109.541 179.343 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 311' ' ' GLY . . . . . . . . . . . . . . . -67.26 146.83 48.26 Favored Glycine 0 N--CA 1.492 2.396 0 N-CA-C 109.672 -1.371 . . . . 0.0 109.672 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 312' ' ' THR . . . . . . . . . . . . . 51.3 m -129.92 126.75 38.64 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.61 -0.936 . . . . 0.0 109.269 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 313' ' ' ARG . . . . . 0.577 HH11 ' CG ' ' A' ' 313' ' ' ARG . 3.7 mtt-85 . . . . . 0 N--CA 1.491 1.585 0 CA-C-O 117.985 -1.007 . . . . 0.0 109.515 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 565' ' ' ASN . . . . . 0.423 ' OD1' ' N ' ' B' ' 566' ' ' GLY . 62.3 t-20 . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 566' ' ' GLY . . . . . 0.423 ' N ' ' OD1' ' B' ' 565' ' ' ASN . . . 170.74 57.04 0.04 OUTLIER Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.419 -1.472 . . . . 0.0 109.419 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 567' ' ' SER . . . . . . . . . . . . . 41.6 t -62.72 114.94 3.9 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.218 -1.166 . . . . 0.0 109.333 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 568' ' ' SER . . . . . . . . . . . . . 38.7 t -170.41 -23.04 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.215 -0.928 . . . . 0.0 109.492 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 569' ' ' LEU . . . . . 0.586 ' N ' HD12 ' B' ' 569' ' ' LEU . 8.7 mp -63.19 161.27 13.9 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.225 -0.922 . . . . 0.0 109.263 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 570' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 52.17 79.48 0.11 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.285 -0.885 . . . . 0.0 109.448 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 571' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -60.24 147.53 39.79 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.209 -0.932 . . . . 0.0 109.46 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 572' ' ' ALA . . . . . 0.49 ' O ' ' N ' ' B' ' 574' ' ' LYS . . . -168.56 -19.02 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.174 -0.954 . . . . 0.0 109.459 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 573' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -67.23 67.44 0.07 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.268 -0.895 . . . . 0.0 109.498 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 574' ' ' LYS . . . . . 0.49 ' N ' ' O ' ' B' ' 572' ' ' ALA . 17.1 ttmm -58.51 105.91 0.34 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.272 -0.892 . . . . 0.0 109.455 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 575' ' ' ILE . . . . . . . . . . . . . 73.2 mt -63.38 110.79 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.331 -0.856 . . . . 0.0 109.543 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 576' ' ' ASN . . . . . . . . . . . . . 71.9 m-80 -70.97 125.78 27.78 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.296 -0.877 . . . . 0.0 109.433 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 577' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -62.35 146.38 51.34 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.291 -0.881 . . . . 0.0 109.542 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 578' ' ' GLY . . . . . . . . . . . . . . . 179.93 168.97 39.5 Favored Glycine 0 N--CA 1.491 2.313 0 N-CA-C 109.56 -1.416 . . . . 0.0 109.56 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 579' ' ' ASN . . . . . 0.482 ' O ' ' N ' ' B' ' 581' ' ' ASN . 5.9 t-20 -64.04 160.59 17.71 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.221 -1.164 . . . . 0.0 109.473 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 580' ' ' ASP . . . . . 0.434 ' H ' ' ND2' ' B' ' 579' ' ' ASN . 2.8 m-20 50.71 -93.12 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.291 -0.88 . . . . 0.0 109.411 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 581' ' ' ASN . . . . . 0.482 ' N ' ' O ' ' B' ' 579' ' ' ASN . 22.2 t-20 -168.27 -12.1 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.168 -0.957 . . . . 0.0 109.474 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 582' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -170.67 139.31 1.54 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.224 -0.923 . . . . 0.0 109.423 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 583' ' ' ASN . . . . . 0.443 ' C ' ' H ' ' B' ' 585' ' ' ASN . 3.6 p-10 -170.27 -14.18 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.268 -0.895 . . . . 0.0 109.453 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 584' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -72.59 13.45 0.35 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.301 -0.874 . . . . 0.0 109.438 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 585' ' ' ASN . . . . . 0.443 ' H ' ' C ' ' B' ' 583' ' ' ASN . 20.6 m120 -66.1 -163.67 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.273 -0.892 . . . . 0.0 109.434 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 586' ' ' ASP . . . . . 0.421 ' O ' ' O ' ' B' ' 585' ' ' ASN . 3.1 p30 41.93 -163.79 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.619 -0.676 . . . . 0.0 110.103 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 587' ' ' VAL . . . . . 0.415 HG22 HG23 ' B' ' 588' ' ' VAL . 1.6 p -175.72 146.34 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.354 0 O-C-N 121.249 -0.907 . . . . 0.0 109.034 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 588' ' ' VAL . . . . . 0.464 ' O ' HG12 ' B' ' 588' ' ' VAL . 97.6 t 42.96 72.74 1.08 Allowed Pre-proline 0 N--CA 1.497 1.902 0 N-CA-C 109.573 -0.528 . . . . 0.0 109.573 -179.666 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 589' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -64.49 179.09 1.37 Allowed 'Trans proline' 0 C--N 1.317 -1.08 0 C-N-CA 121.468 1.445 . . . . 0.0 109.726 -179.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 590' ' ' SER . . . . . . . . . . . . . 41.8 t -167.86 136.98 2.54 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.195 -0.941 . . . . 0.0 109.56 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 591' ' ' LYS . . . . . 0.416 ' O ' ' OE2' ' B' ' 639' ' ' GLU . 18.1 ttmm -171.15 92.45 0.16 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.365 -0.834 . . . . 0.0 109.318 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -84.41 139.1 32.46 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.264 -0.897 . . . . 0.0 109.567 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 593' ' ' GLY . . . . . . . . . . . . . . . -80.22 -146.12 4.19 Favored Glycine 0 N--CA 1.489 2.213 0 N-CA-C 109.134 -1.586 . . . . 0.0 109.134 179.591 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 594' ' ' SER . . . . . . . . . . . . . 71.9 m -101.75 164.61 11.65 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.321 -1.105 . . . . 0.0 110.001 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 595' ' ' LEU . . . . . 0.502 HD12 ' N ' ' B' ' 595' ' ' LEU . 7.7 mp -95.83 120.05 35.4 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 596' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -128.12 155.47 44.37 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.432 -0.793 . . . . 0.0 109.407 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 597' ' ' ARG . . . . . . . . . . . . . 66.7 mtm180 -87.78 -174.66 4.84 Favored 'General case' 0 N--CA 1.492 1.67 0 CA-C-O 121.97 0.891 . . . . 0.0 110.896 -179.092 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 598' ' ' CYS . . . . . 0.526 ' O ' ' N ' ' B' ' 600' ' ' GLU . 4.5 p -53.74 -103.07 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.73 0 CA-C-O 121.48 0.657 . . . . 0.0 111.902 -177.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 6.5 t -43.46 -17.86 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.449 -0.782 . . . . 0.0 110.613 -178.116 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 600' ' ' GLU . . . . . 0.526 ' N ' ' O ' ' B' ' 598' ' ' CYS . 41.3 tt0 -53.43 -32.32 49.29 Favored 'General case' 0 C--N 1.302 -1.479 0 C-N-CA 118.62 -1.232 . . . . 0.0 107.954 -179.527 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 601' ' ' ILE . . . . . 0.572 ' O ' ' N ' ' B' ' 604' ' ' ARG . 1.0 OUTLIER -70.62 -40.29 76.95 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.294 0 N-CA-C 107.493 -1.299 . . . . 0.0 107.493 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 602' ' ' TRP . . . . . 0.4 ' C ' ' O ' ' B' ' 601' ' ' ILE . 27.2 t-105 -41.43 -38.27 1.22 Allowed 'General case' 0 N--CA 1.496 1.83 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 603' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -70.62 -41.79 71.77 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 178.079 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 604' ' ' ARG . . . . . 0.572 ' N ' ' O ' ' B' ' 601' ' ' ILE . 4.4 tpp180 -57.03 -22.31 37.86 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.603 -0.685 . . . . 0.0 110.529 179.667 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 605' ' ' ILE . . . . . . . . . . . . . 3.6 mt -88.68 -35.79 8.27 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.147 0 O-C-N 120.822 -1.174 . . . . 0.0 110.621 -177.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 606' ' ' THR . . . . . 0.516 ' C ' ' H ' ' B' ' 608' ' ' HIS . 57.9 p -59.52 -39.36 83.61 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.425 -0.797 . . . . 0.0 110.185 -178.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 607' ' ' THR . . . . . . . . . . . . . 1.8 t -67.06 15.52 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.047 -1.033 . . . . 0.0 110.41 -179.411 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 608' ' ' HIS . . . . . 0.516 ' H ' ' C ' ' B' ' 606' ' ' THR . 39.1 m-70 -131.9 123.97 19.4 Favored Pre-proline 0 N--CA 1.498 1.958 0 O-C-N 121.283 -0.886 . . . . 0.0 109.231 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 609' ' ' PRO . . . . . 0.519 ' O ' ' N ' ' B' ' 611' ' ' TYR . 2.1 Cg_endo -60.96 -37.07 79.73 Favored 'Trans proline' 0 C--O 1.215 -0.637 0 N-CA-C 109.53 -0.989 . . . . 0.0 109.53 179.614 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 610' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -64.73 71.59 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.327 -0.858 . . . . 0.0 109.385 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 611' ' ' TYR . . . . . 0.519 ' N ' ' O ' ' B' ' 609' ' ' PRO . 33.9 t80 -127.48 -0.63 6.24 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.579 -0.701 . . . . 0.0 109.236 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 612' ' ' SER . . . . . . . . . . . . . 93.9 p -80.39 -67.25 0.79 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.141 -0.975 . . . . 0.0 109.579 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 613' ' ' ASP . . . . . 0.469 ' O ' ' O ' ' B' ' 614' ' ' ILE . 12.6 p-10 -64.82 -126.6 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.376 -0.828 . . . . 0.0 109.764 -179.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 614' ' ' ILE . . . . . 0.57 HG22 ' N ' ' B' ' 615' ' ' ASP . 86.2 mt 53.16 163.14 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 CA-C-O 121.729 0.776 . . . . 0.0 110.853 179.223 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 615' ' ' ASP . . . . . 0.57 ' N ' HG22 ' B' ' 614' ' ' ILE . 0.9 OUTLIER -115.45 107.65 15.46 Favored 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 107.894 -1.15 . . . . 0.0 107.894 179.176 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 616' ' ' VAL . . . . . . . . . . . . . 4.2 p -75.22 -18.59 16.07 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.523 0 O-C-N 121.232 -0.918 . . . . 0.0 108.8 -179.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 617' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -81.05 -38.55 27.21 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.439 -0.788 . . . . 0.0 109.832 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 618' ' ' GLY . . . . . . . . . . . . . . . -70.06 -41.2 71.54 Favored Glycine 0 N--CA 1.489 2.226 0 N-CA-C 109.183 -1.567 . . . . 0.0 109.183 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 619' ' ' LEU . . . . . 0.709 ' C ' HD12 ' B' ' 619' ' ' LEU . 0.6 OUTLIER -68.47 -22.82 64.54 Favored 'General case' 0 N--CA 1.486 1.346 0 O-C-N 121.219 -1.165 . . . . 0.0 108.063 179.44 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 620' ' ' CYS . . . . . . . . . . . . . 44.6 t -69.66 -49.2 55.97 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.42 -0.8 . . . . 0.0 110.177 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 30.2 t -79.21 -4.96 53.09 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 120.913 -1.117 . . . . 0.0 109.61 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 622' ' ' GLU . . . . . . . . . . . . . 38.5 tp10 -101.39 -34.01 9.77 Favored 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 108.377 -0.972 . . . . 0.0 108.377 177.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 623' ' ' LEU . . . . . 0.43 HD11 HG12 ' B' ' 641' ' ' VAL . 5.7 tt -89.63 -28.88 19.22 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 120.99 -1.069 . . . . 0.0 109.56 179.446 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 624' ' ' MET . . . . . 0.418 ' SD ' ' CG2' ' A' ' 309' ' ' VAL . 0.3 OUTLIER -77.74 -30.0 51.39 Favored 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 113.352 0.871 . . . . 0.0 113.352 -177.26 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 625' ' ' ALA . . . . . . . . . . . . . . . -96.02 -3.62 44.57 Favored 'General case' 0 N--CA 1.507 2.383 0 O-C-N 120.446 -1.408 . . . . 0.0 109.643 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 626' ' ' LYS . . . . . . . . . . . . . 4.2 tppt? -91.92 -2.75 56.64 Favored 'General case' 0 N--CA 1.492 1.651 0 N-CA-C 105.92 -1.882 . . . . 0.0 105.92 175.451 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 627' ' ' ALA . . . . . . . . . . . . . . . -52.93 147.88 8.56 Favored 'General case' 0 N--CA 1.494 1.741 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.769 -179.101 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 628' ' ' LYS . . . . . . . . . . . . . 84.1 mttt -121.98 88.72 2.99 Favored 'General case' 0 N--CA 1.496 1.862 0 N-CA-C 107.845 -1.168 . . . . 0.0 107.845 178.539 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 629' ' ' CYS . . . . . . . . . . . . . 16.6 t -51.81 137.97 24.85 Favored 'General case' 0 N--CA 1.492 1.652 0 CA-C-O 122.235 1.017 . . . . 0.0 111.704 -178.005 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 630' ' ' SER . . . . . . . . . . . . . 4.6 t -142.47 162.74 34.69 Favored 'General case' 0 N--CA 1.493 1.717 0 N-CA-C 107.526 -1.287 . . . . 0.0 107.526 178.411 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 631' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -67.19 -32.35 73.37 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.468 -1.395 . . . . 0.0 109.996 -179.274 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 74.5 mtm180 -72.57 -16.14 61.75 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.73 -1.231 . . . . 0.0 108.511 179.19 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 633' ' ' GLY . . . . . . . . . . . . . . . 134.86 -177.27 19.42 Favored Glycine 0 N--CA 1.497 2.73 0 N-CA-C 108.569 -1.812 . . . . 0.0 108.569 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 634' ' ' VAL . . . . . . . . . . . . . 7.2 p -75.46 140.85 16.69 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.389 0 O-C-N 120.598 -1.531 . . . . 0.0 109.769 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 11.6 m -136.14 140.33 44.04 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.976 0 O-C-N 121.217 -0.927 . . . . 0.0 108.594 178.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 636' ' ' ILE . . . . . . . . . . . . . 64.3 mt -136.2 153.36 31.46 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.909 0 O-C-N 121.537 -0.727 . . . . 0.0 109.329 -179.004 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 637' ' ' ASN . . . . . . . . . . . . . 15.8 m-20 -83.76 138.3 33.33 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.292 -0.88 . . . . 0.0 109.102 179.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -60.57 -10.77 5.58 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.383 -0.823 . . . . 0.0 110.261 -179.402 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 639' ' ' GLU . . . . . 0.416 ' OE2' ' O ' ' B' ' 591' ' ' LYS . 76.5 mt-10 -79.49 -20.62 46.86 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.649 -1.282 . . . . 0.0 109.548 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 640' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -85.68 -34.48 21.29 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 120.594 -1.316 . . . . 0.0 108.298 178.073 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 641' ' ' VAL . . . . . 0.43 HG12 HD11 ' B' ' 623' ' ' LEU . 1.6 m -79.06 -33.33 15.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 178.458 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 642' ' ' GLN . . . . . 0.428 ' O ' ' OD1' ' B' ' 646' ' ' ASN . 33.3 tt0 -65.54 -37.41 86.66 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.261 -0.9 . . . . 0.0 108.76 178.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 643' ' ' LEU . . . . . . . . . . . . . 27.8 mt -84.83 -21.9 29.68 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.447 -0.783 . . . . 0.0 109.242 178.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 644' ' ' ALA . . . . . . . . . . . . . . . -84.36 -24.43 29.72 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.576 -1.327 . . . . 0.0 107.862 177.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 645' ' ' LEU . . . . . . . . . . . . . 28.8 mt -88.87 -25.22 22.27 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.406 -0.809 . . . . 0.0 109.247 178.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 646' ' ' ASN . . . . . 0.428 ' OD1' ' O ' ' B' ' 642' ' ' GLN . 19.5 m120 -90.9 -16.88 27.4 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.262 -0.899 . . . . 0.0 109.836 -179.681 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 647' ' ' LYS . . . . . 0.495 ' O ' ' N ' ' B' ' 649' ' ' MET . 94.2 mttt -91.94 -175.19 4.04 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.137 -0.977 . . . . 0.0 109.804 -179.588 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 648' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 43.85 20.96 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.706 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 -179.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 649' ' ' MET . . . . . 0.495 ' N ' ' O ' ' B' ' 647' ' ' LYS . 28.1 ttm -95.09 140.98 29.27 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.534 -0.729 . . . . 0.0 109.633 -179.324 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 650' ' ' ASN . . . . . . . . . . . . . 43.0 t30 . . . . . 0 N--CA 1.49 1.534 0 CA-C-O 117.959 -1.019 . . . . 0.0 109.395 -179.966 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 279' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 280' ' ' LEU . . . . . 0.566 HD12 ' N ' ' A' ' 280' ' ' LEU . 8.4 mp -63.79 -15.15 58.02 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.231 -0.918 . . . . 0.0 109.268 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 281' ' ' ASP . . . . . . . . . . . . . 36.2 t70 52.61 84.9 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.228 -0.92 . . . . 0.0 109.417 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 282' ' ' SER . . . . . . . . . . . . . 37.5 t -68.65 167.73 14.58 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.186 -0.946 . . . . 0.0 109.465 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 283' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -150.53 3.04 0.48 Allowed 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.199 -0.938 . . . . 0.0 109.58 -179.797 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 284' ' ' MET . . . . . . . . . . . . . 51.0 mtt -91.35 38.1 0.96 Allowed 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.129 -0.982 . . . . 0.0 109.452 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 285' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -60.71 -169.2 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.276 -0.89 . . . . 0.0 109.59 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 286' ' ' SER . . . . . . . . . . . . . 12.0 m 54.1 -141.19 0.88 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.294 -0.879 . . . . 0.0 109.446 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 287' ' ' ASN . . . . . 0.428 ' O ' ' O ' ' A' ' 288' ' ' ASP . 12.4 t30 -162.71 77.39 0.46 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.224 -0.923 . . . . 0.0 109.507 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 288' ' ' ASP . . . . . 0.428 ' O ' ' O ' ' A' ' 287' ' ' ASN . 12.8 m-20 55.8 167.93 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.324 -0.86 . . . . 0.0 109.438 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 289' ' ' PHE . . . . . 0.438 ' O ' ' N ' ' A' ' 291' ' ' PHE . 42.3 m-85 50.36 42.46 26.04 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.247 -0.908 . . . . 0.0 109.466 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 290' ' ' ASN . . . . . 0.579 HD21 HE21 ' A' ' 294' ' ' GLN . 3.8 t30 -68.66 69.05 0.16 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.253 -0.905 . . . . 0.0 109.376 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 291' ' ' PHE . . . . . 0.438 ' N ' ' O ' ' A' ' 289' ' ' PHE . 70.2 t80 -70.17 -53.3 17.8 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.238 -0.913 . . . . 0.0 109.38 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 292' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -143.4 -0.62 1.08 Allowed 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.243 -0.911 . . . . 0.0 109.104 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 293' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -63.61 113.08 3.11 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.223 -0.923 . . . . 0.0 109.36 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 294' ' ' GLN . . . . . 0.579 HE21 HD21 ' A' ' 290' ' ' ASN . 72.7 mm-40 -138.96 26.26 2.47 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.253 -0.905 . . . . 0.0 109.243 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 295' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -80.24 -105.13 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.248 -0.907 . . . . 0.0 109.404 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -174.62 92.98 0.07 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.154 -0.966 . . . . 0.0 109.552 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 297' ' ' GLU . . . . . 0.518 ' N ' ' OE2' ' A' ' 297' ' ' GLU . 2.0 mp0 48.33 -110.03 0.34 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.244 -0.91 . . . . 0.0 109.469 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 298' ' ' GLN . . . . . 0.435 ' O ' ' O ' ' A' ' 299' ' ' VAL . 13.7 tt0 -153.82 -50.81 0.1 Allowed 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.163 -0.961 . . . . 0.0 109.524 179.632 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 299' ' ' VAL . . . . . 0.435 ' O ' ' O ' ' A' ' 298' ' ' GLN . 4.2 t 59.55 116.59 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.242 0 CA-C-O 122.146 0.974 . . . . 0.0 109.202 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 300' ' ' SER . . . . . 0.468 ' O ' ' N ' ' A' ' 302' ' ' PHE . 7.7 t -165.5 -167.5 1.15 Allowed 'General case' 0 C--N 1.294 -1.84 0 C-N-CA 119.742 -0.783 . . . . 0.0 110.081 179.52 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 301' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -46.7 -17.92 0.06 Allowed 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.448 -0.783 . . . . 0.0 109.652 -179.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 302' ' ' PHE . . . . . 0.517 ' CD2' ' SD ' ' A' ' 306' ' ' MET . 5.5 t80 -77.77 -43.56 30.38 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 179.318 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 303' ' ' CYS . . . . . . . . . . . . . 85.8 m -86.37 -47.12 9.63 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.546 -0.721 . . . . 0.0 109.147 179.069 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 2.1 p -53.49 -31.06 44.24 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.499 -0.751 . . . . 0.0 111.672 -178.462 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . 78.6 mttt -104.59 -16.34 15.05 Favored 'General case' 0 N--CA 1.508 2.437 0 O-C-N 120.766 -1.209 . . . . 0.0 110.203 179.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 306' ' ' MET . . . . . 0.517 ' SD ' ' CD2' ' A' ' 302' ' ' PHE . 38.7 mtp -74.61 -25.66 59.39 Favored 'General case' 0 C--N 1.299 -1.595 0 N-CA-C 106.513 -1.662 . . . . 0.0 106.513 176.676 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 307' ' ' ASN . . . . . 0.454 ' O ' ' C ' ' A' ' 308' ' ' GLN . 2.0 m-20 -82.74 -42.99 17.32 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 106.352 -1.721 . . . . 0.0 106.352 178.538 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 308' ' ' GLN . . . . . 0.524 ' O ' ' N ' ' A' ' 311' ' ' GLY . 6.4 tm0? -35.08 -39.14 0.1 Allowed 'General case' 0 N--CA 1.505 2.306 0 CA-C-O 121.394 0.616 . . . . 0.0 109.419 178.606 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 309' ' ' VAL . . . . . 0.671 HG21 ' O ' ' B' ' 624' ' ' MET . 38.0 t -45.98 -16.62 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.861 0 CA-C-O 121.857 0.836 . . . . 0.0 109.021 179.219 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 310' ' ' CYS . . . . . 0.523 ' N ' ' O ' ' A' ' 308' ' ' GLN . 8.9 m -89.58 19.29 4.68 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.553 -0.717 . . . . 0.0 109.113 179.046 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 311' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' A' ' 308' ' ' GLN . . . -79.07 118.46 4.8 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.495 -1.442 . . . . 0.0 109.495 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 312' ' ' THR . . . . . . . . . . . . . 67.3 p -77.81 110.33 12.59 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.294 -1.121 . . . . 0.0 109.507 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 313' ' ' ARG . . . . . . . . . . . . . 34.2 ptt180 . . . . . 0 N--CA 1.49 1.559 0 CA-C-O 118.045 -0.979 . . . . 0.0 109.522 -179.988 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 565' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 . . . . . 0 N--CA 1.49 1.541 0 CA-C-O 121.288 0.566 . . . . 0.0 109.512 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 566' ' ' GLY . . . . . . . . . . . . . . . -177.81 2.97 0.03 OUTLIER Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.536 -1.425 . . . . 0.0 109.536 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 567' ' ' SER . . . . . . . . . . . . . 38.7 t -64.44 97.49 0.2 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.294 -1.121 . . . . 0.0 109.486 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 568' ' ' SER . . . . . . . . . . . . . 42.6 t -64.19 -28.26 69.62 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.226 -0.921 . . . . 0.0 109.465 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 569' ' ' LEU . . . . . . . . . . . . . 15.5 mt -69.58 115.59 9.01 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.2 -0.938 . . . . 0.0 109.392 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 570' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 52.35 -167.19 0.05 Allowed 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.227 -0.921 . . . . 0.0 109.427 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 571' ' ' ASN . . . . . . . . . . . . . 7.4 m120 52.25 48.81 21.89 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.2 -0.938 . . . . 0.0 109.537 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 572' ' ' ALA . . . . . 0.433 ' O ' ' O ' ' B' ' 573' ' ' ASP . . . -170.6 124.41 0.68 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.217 -0.927 . . . . 0.0 109.399 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 573' ' ' ASP . . . . . 0.433 ' O ' ' O ' ' B' ' 572' ' ' ALA . 26.1 t70 56.54 106.93 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.288 -0.883 . . . . 0.0 109.543 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 574' ' ' LYS . . . . . . . . . . . . . 19.4 ptmt -146.53 -15.85 0.43 Allowed 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.2 -0.938 . . . . 0.0 109.317 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 575' ' ' ILE . . . . . . . . . . . . . 15.9 tt -72.63 -17.51 18.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.31 -0.869 . . . . 0.0 109.314 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 576' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -167.54 156.34 9.72 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.391 -0.818 . . . . 0.0 109.323 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 577' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -73.85 -95.87 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.239 -0.913 . . . . 0.0 109.453 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 578' ' ' GLY . . . . . . . . . . . . . . . -65.85 154.8 50.87 Favored Glycine 0 N--CA 1.489 2.195 0 N-CA-C 109.55 -1.42 . . . . 0.0 109.55 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 579' ' ' ASN . . . . . . . . . . . . . 49.4 m-80 -74.37 139.59 44.19 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.258 -1.142 . . . . 0.0 109.402 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 580' ' ' ASP . . . . . 0.491 ' O ' ' N ' ' B' ' 582' ' ' ASP . 8.2 m-20 -75.6 176.35 7.71 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.296 -0.878 . . . . 0.0 109.448 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 581' ' ' ASN . . . . . 0.42 ' OD1' ' N ' ' B' ' 581' ' ' ASN . 0.9 OUTLIER 66.72 -43.0 0.42 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.46 -0.775 . . . . 0.0 109.694 -179.914 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 582' ' ' ASP . . . . . 0.491 ' N ' ' O ' ' B' ' 580' ' ' ASP . 1.0 OUTLIER -56.52 -85.37 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.198 -0.939 . . . . 0.0 109.357 179.922 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 583' ' ' ASN . . . . . . . . . . . . . 30.1 t-20 -66.33 129.69 40.7 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.235 -0.916 . . . . 0.0 109.503 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 584' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -169.5 46.99 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.223 -0.923 . . . . 0.0 109.41 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 585' ' ' ASN . . . . . . . . . . . . . 14.9 p-10 -70.07 -47.73 60.73 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.33 -0.856 . . . . 0.0 109.236 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 586' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -169.83 63.73 0.05 OUTLIER 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.282 -0.887 . . . . 0.0 109.516 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 587' ' ' VAL . . . . . 0.501 HG12 ' H ' ' B' ' 588' ' ' VAL . 2.2 t -76.97 -139.2 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.174 -0.953 . . . . 0.0 109.23 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 588' ' ' VAL . . . . . 0.501 ' H ' HG12 ' B' ' 587' ' ' VAL . 23.2 t -60.21 133.49 90.49 Favored Pre-proline 0 N--CA 1.49 1.55 0 O-C-N 121.38 -0.825 . . . . 0.0 109.001 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 589' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -59.76 115.62 2.74 Favored 'Trans proline' 0 C--O 1.215 -0.636 0 N-CA-C 109.626 -0.952 . . . . 0.0 109.626 179.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 590' ' ' SER . . . . . . . . . . . . . 42.4 t -79.28 154.84 28.83 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.161 -0.962 . . . . 0.0 109.226 179.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 591' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -70.43 144.82 51.37 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.2 -0.938 . . . . 0.0 109.364 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -74.69 -152.8 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.264 -0.897 . . . . 0.0 109.526 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 593' ' ' GLY . . . . . . . . . . . . . . . -152.37 -143.56 3.72 Favored Glycine 0 N--CA 1.492 2.37 0 N-CA-C 109.046 -1.622 . . . . 0.0 109.046 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 594' ' ' SER . . . . . 0.47 ' C ' HD22 ' B' ' 595' ' ' LEU . 69.3 m -82.65 165.54 19.92 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.016 -1.284 . . . . 0.0 110.126 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 595' ' ' LEU . . . . . 0.767 HD22 ' N ' ' B' ' 595' ' ' LEU . 2.8 mm? -98.53 124.22 43.15 Favored 'General case' 0 C--N 1.298 -1.631 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 179.78 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 596' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -128.93 141.89 51.12 Favored 'General case' 0 N--CA 1.504 2.266 0 O-C-N 121.182 -0.949 . . . . 0.0 109.212 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 597' ' ' ARG . . . . . 0.62 ' H ' ' CB ' ' B' ' 600' ' ' GLU . 34.9 mtp180 -112.84 -124.01 0.28 Allowed 'General case' 0 N--CA 1.505 2.321 0 O-C-N 121.63 -0.669 . . . . 0.0 111.263 -177.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 598' ' ' CYS . . . . . 0.565 ' SG ' ' N ' ' B' ' 599' ' ' SER . 41.7 t -75.95 -109.88 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.256 -0.902 . . . . 0.0 111.074 -178.472 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 599' ' ' SER . . . . . 0.565 ' N ' ' SG ' ' B' ' 598' ' ' CYS . 29.1 t -44.38 -22.71 0.08 Allowed 'General case' 0 N--CA 1.499 1.977 0 CA-C-O 122.366 1.079 . . . . 0.0 108.914 -179.283 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 600' ' ' GLU . . . . . 0.62 ' CB ' ' H ' ' B' ' 597' ' ' ARG . 16.5 mp0 -45.48 -46.56 13.77 Favored 'General case' 0 C--N 1.297 -1.703 0 CA-C-O 122.829 1.299 . . . . 0.0 109.084 178.565 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 601' ' ' ILE . . . . . 0.541 ' O ' ' N ' ' B' ' 604' ' ' ARG . 2.0 mt -68.16 -30.33 47.55 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.295 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 -178.354 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 602' ' ' TRP . . . . . 0.405 ' C ' ' O ' ' B' ' 601' ' ' ILE . 33.1 t-105 -47.27 -39.56 14.75 Favored 'General case' 0 N--CA 1.494 1.733 0 N-CA-C 107.423 -1.325 . . . . 0.0 107.423 179.225 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 603' ' ' ASP . . . . . 0.431 ' O ' ' OG1' ' B' ' 606' ' ' THR . 29.4 m-20 -64.04 -42.04 97.21 Favored 'General case' 0 C--N 1.305 -1.359 0 N-CA-C 107.138 -1.431 . . . . 0.0 107.138 177.343 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 604' ' ' ARG . . . . . 0.541 ' N ' ' O ' ' B' ' 601' ' ' ILE . 8.6 tpm_? -57.11 -39.65 75.52 Favored 'General case' 0 N--CA 1.496 1.866 0 C-N-CA 119.458 -0.897 . . . . 0.0 108.772 178.487 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 605' ' ' ILE . . . . . . . . . . . . . 43.7 mt -71.04 -47.42 61.72 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.965 0 O-C-N 121.466 -0.771 . . . . 0.0 110.47 179.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 606' ' ' THR . . . . . 0.485 ' C ' ' H ' ' B' ' 608' ' ' HIS . 21.3 p -44.97 -37.93 4.35 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.104 -0.997 . . . . 0.0 110.267 -179.065 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 607' ' ' THR . . . . . 0.427 ' OG1' ' O ' ' B' ' 604' ' ' ARG . 62.4 p -60.92 0.12 0.25 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.047 -1.033 . . . . 0.0 109.772 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 608' ' ' HIS . . . . . 0.485 ' H ' ' C ' ' B' ' 606' ' ' THR . 30.0 m170 -112.4 97.21 39.04 Favored Pre-proline 0 N--CA 1.499 1.988 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 179.686 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 609' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -59.12 -30.66 93.77 Favored 'Trans proline' 0 C--N 1.324 -0.733 0 C-N-CA 120.671 0.914 . . . . 0.0 109.961 -178.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 610' ' ' LYS . . . . . 0.49 ' C ' ' H ' ' B' ' 612' ' ' SER . 3.8 mmmm -49.31 -82.85 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.3 -0.875 . . . . 0.0 109.399 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 611' ' ' TYR . . . . . . . . . . . . . 9.6 t80 64.18 -3.65 0.47 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.396 -0.815 . . . . 0.0 109.452 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 612' ' ' SER . . . . . 0.49 ' H ' ' C ' ' B' ' 610' ' ' LYS . 49.6 m -80.97 -78.46 0.18 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.256 -0.903 . . . . 0.0 109.78 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 613' ' ' ASP . . . . . 0.463 ' O ' ' O ' ' B' ' 614' ' ' ILE . 14.7 p-10 -61.74 -123.22 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.273 -0.892 . . . . 0.0 109.497 -179.801 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 614' ' ' ILE . . . . . 0.565 HG22 ' N ' ' B' ' 615' ' ' ASP . 65.6 mt 53.91 165.25 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.725 0 O-C-N 121.459 -0.776 . . . . 0.0 110.376 179.196 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 615' ' ' ASP . . . . . 0.565 ' N ' HG22 ' B' ' 614' ' ' ILE . 80.5 m-20 -128.69 109.92 11.75 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 179.486 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 616' ' ' VAL . . . . . . . . . . . . . 4.2 p -78.51 -17.58 13.57 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.37 -0.832 . . . . 0.0 109.1 -179.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 617' ' ' ASP . . . . . 0.482 ' O ' ' SG ' ' B' ' 620' ' ' CYS . 3.9 m-20 -75.2 -38.79 60.6 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.401 -0.812 . . . . 0.0 110.342 -179.551 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 618' ' ' GLY . . . . . 0.434 ' O ' ' OE2' ' B' ' 622' ' ' GLU . . . -66.41 -32.67 82.54 Favored Glycine 0 N--CA 1.49 2.294 0 C-N-CA 119.506 -1.33 . . . . 0.0 109.81 -179.646 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 619' ' ' LEU . . . . . 0.543 HD13 HD21 ' B' ' 645' ' ' LEU . 0.6 OUTLIER -70.07 -27.09 64.35 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.077 -1.249 . . . . 0.0 108.37 179.683 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 620' ' ' CYS . . . . . 0.587 ' SG ' ' N ' ' B' ' 621' ' ' SER . 1.4 p -67.69 -48.71 65.83 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.333 -0.854 . . . . 0.0 110.672 -179.541 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 621' ' ' SER . . . . . 0.587 ' N ' ' SG ' ' B' ' 620' ' ' CYS . 29.9 t -82.97 -3.31 57.02 Favored 'General case' 0 N--CA 1.503 2.197 0 O-C-N 120.5 -1.375 . . . . 0.0 110.353 -179.243 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 622' ' ' GLU . . . . . 0.434 ' OE2' ' O ' ' B' ' 618' ' ' GLY . 0.3 OUTLIER -99.39 -40.27 7.97 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.022 -1.049 . . . . 0.0 108.392 177.433 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 623' ' ' LEU . . . . . . . . . . . . . 18.0 mt -86.43 -19.78 29.13 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.996 -1.065 . . . . 0.0 110.661 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 624' ' ' MET . . . . . 0.671 ' O ' HG21 ' A' ' 309' ' ' VAL . 76.3 mtp -76.73 -28.06 55.66 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 120.627 -1.296 . . . . 0.0 111.779 -177.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 625' ' ' ALA . . . . . 0.419 ' C ' ' N ' ' B' ' 627' ' ' ALA . . . -104.64 -41.15 5.77 Favored 'General case' 0 N--CA 1.505 2.298 0 O-C-N 120.617 -1.302 . . . . 0.0 109.343 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 626' ' ' LYS . . . . . 0.504 ' NZ ' ' OD1' ' B' ' 640' ' ' ASP . 53.0 mtmt -60.78 -14.61 22.55 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 106.512 -1.662 . . . . 0.0 106.512 177.598 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 627' ' ' ALA . . . . . 0.419 ' N ' ' C ' ' B' ' 625' ' ' ALA . . . -44.96 136.88 4.44 Favored 'General case' 0 N--CA 1.491 1.625 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.877 179.53 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 628' ' ' LYS . . . . . . . . . . . . . 80.6 tttt -101.85 92.46 4.83 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 107.311 -1.366 . . . . 0.0 107.311 178.337 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 629' ' ' CYS . . . . . . . . . . . . . 51.0 t -59.98 134.74 57.32 Favored 'General case' 0 N--CA 1.49 1.572 0 CA-C-O 122.557 1.17 . . . . 0.0 112.215 -177.516 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 630' ' ' SER . . . . . . . . . . . . . 6.8 t -141.96 161.04 38.96 Favored 'General case' 0 N--CA 1.492 1.674 0 N-CA-C 107.062 -1.459 . . . . 0.0 107.062 178.229 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 631' ' ' GLU . . . . . 0.615 ' H ' ' CD ' ' B' ' 631' ' ' GLU . 1.4 pm0 -66.44 -28.3 68.5 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.253 -1.529 . . . . 0.0 109.684 -179.32 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 632' ' ' ARG . . . . . 0.423 HH11 ' HG3' ' B' ' 632' ' ' ARG . 29.0 mtm-85 -74.04 -15.42 61.08 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.9 -1.125 . . . . 0.0 108.213 178.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 633' ' ' GLY . . . . . . . . . . . . . . . 133.62 -174.87 20.54 Favored Glycine 0 N--CA 1.497 2.724 0 N-CA-C 108.442 -1.863 . . . . 0.0 108.442 -179.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 634' ' ' VAL . . . . . . . . . . . . . 7.6 m -79.44 162.18 3.93 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 O-C-N 120.597 -1.531 . . . . 0.0 109.792 179.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 5.3 p -148.5 140.59 18.08 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 O-C-N 120.988 -1.07 . . . . 0.0 108.855 177.493 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 636' ' ' ILE . . . . . . . . . . . . . 18.1 mm -118.67 132.91 67.17 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.957 0 O-C-N 121.884 -0.51 . . . . 0.0 110.224 -178.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 637' ' ' ASN . . . . . 0.51 ' O ' ' N ' ' B' ' 639' ' ' GLU . 47.6 m-20 -83.95 134.32 34.66 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 107.9 -1.148 . . . . 0.0 107.9 178.12 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 638' ' ' ALA . . . . . 0.406 ' O ' ' CG ' ' B' ' 642' ' ' GLN . . . -46.54 -13.44 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.424 -0.797 . . . . 0.0 110.848 -178.204 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 639' ' ' GLU . . . . . 0.51 ' N ' ' O ' ' B' ' 637' ' ' ASN . 72.0 mt-10 -82.24 -20.93 36.67 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.913 -1.117 . . . . 0.0 110.61 -179.333 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 640' ' ' ASP . . . . . 0.504 ' OD1' ' NZ ' ' B' ' 626' ' ' LYS . 19.2 t0 -85.46 -58.34 2.71 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 120.457 -1.402 . . . . 0.0 107.881 178.121 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 641' ' ' VAL . . . . . 0.587 HG13 ' N ' ' B' ' 642' ' ' GLN . 7.8 p -50.12 -47.21 24.67 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 120.788 -1.195 . . . . 0.0 108.562 177.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 642' ' ' GLN . . . . . 0.587 ' N ' HG13 ' B' ' 641' ' ' VAL . 17.5 mm100 -57.65 -35.75 70.94 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.008 -1.058 . . . . 0.0 109.572 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 643' ' ' LEU . . . . . . . . . . . . . 61.1 mt -80.67 -23.31 39.72 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.176 -0.952 . . . . 0.0 109.001 178.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 644' ' ' ALA . . . . . . . . . . . . . . . -86.59 -48.16 8.58 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.823 -1.173 . . . . 0.0 108.881 178.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 645' ' ' LEU . . . . . 0.543 HD21 HD13 ' B' ' 619' ' ' LEU . 46.9 mt -66.68 -69.73 0.29 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.858 -1.151 . . . . 0.0 109.523 179.42 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 646' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -46.61 -13.57 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.144 -0.972 . . . . 0.0 110.917 -178.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 647' ' ' LYS . . . . . 0.507 ' N ' ' O ' ' B' ' 645' ' ' LEU . 54.6 tttp -99.69 -11.66 20.69 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 120.952 -1.092 . . . . 0.0 110.109 -179.6 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 648' ' ' HIS . . . . . . . . . . . . . 51.4 m-70 -111.17 12.78 21.84 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.344 -0.848 . . . . 0.0 109.52 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 649' ' ' MET . . . . . 0.431 ' O ' ' ND2' ' B' ' 650' ' ' ASN . 12.7 mtt -97.03 125.76 41.7 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.249 -0.907 . . . . 0.0 109.402 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 650' ' ' ASN . . . . . 0.431 ' ND2' ' O ' ' B' ' 649' ' ' MET . 35.4 m120 . . . . . 0 N--CA 1.491 1.616 0 CA-C-O 118.006 -0.997 . . . . 0.0 109.447 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 279' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . 34.6 tp -73.46 -19.01 61.06 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.244 -0.91 . . . . 0.0 109.188 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 281' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -162.33 68.46 0.25 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.179 -0.951 . . . . 0.0 109.489 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 282' ' ' SER . . . . . . . . . . . . . 54.3 p -171.33 89.85 0.12 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.218 -0.926 . . . . 0.0 109.434 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 283' ' ' ASN . . . . . 0.419 ' N ' ' OD1' ' A' ' 283' ' ' ASN . 15.2 p-10 -167.3 154.63 8.8 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.133 -0.979 . . . . 0.0 109.501 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 284' ' ' MET . . . . . . . . . . . . . 24.5 ttt 53.43 66.08 1.33 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.255 -0.903 . . . . 0.0 109.425 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 285' ' ' PHE . . . . . . . . . . . . . 24.3 p90 -75.14 160.92 29.87 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.246 -0.909 . . . . 0.0 109.464 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 286' ' ' SER . . . . . . . . . . . . . 24.9 p 52.14 -165.53 0.06 Allowed 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.253 -0.904 . . . . 0.0 109.424 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 287' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -170.1 -22.46 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.228 -0.92 . . . . 0.0 109.41 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 288' ' ' ASP . . . . . 0.464 ' C ' ' H ' ' A' ' 290' ' ' ASN . 1.0 OUTLIER -67.4 -177.53 0.72 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.356 -0.84 . . . . 0.0 109.502 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 289' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -75.55 29.48 0.1 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.248 -0.908 . . . . 0.0 109.471 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 290' ' ' ASN . . . . . 0.464 ' H ' ' C ' ' A' ' 288' ' ' ASP . 6.4 p30 -66.97 139.89 57.71 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.266 -0.896 . . . . 0.0 109.571 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 291' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -68.97 -43.61 74.59 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.295 -0.878 . . . . 0.0 109.462 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 292' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -169.74 36.78 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.177 -0.952 . . . . 0.0 109.417 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 293' ' ' ASN . . . . . 0.514 ' ND2' ' CD1' ' A' ' 295' ' ' PHE . 57.7 t30 -65.46 142.64 58.09 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.162 -0.961 . . . . 0.0 109.409 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 294' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -66.23 -112.96 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.206 -0.934 . . . . 0.0 109.4 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 295' ' ' PHE . . . . . 0.514 ' CD1' ' ND2' ' A' ' 293' ' ' ASN . 78.6 m-85 50.79 61.78 3.05 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.16 -0.962 . . . . 0.0 109.588 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -72.77 39.44 0.08 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.362 -0.836 . . . . 0.0 109.293 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 297' ' ' GLU . . . . . 0.516 ' O ' ' N ' ' A' ' 299' ' ' VAL . 65.0 mt-10 -83.64 -59.89 2.29 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.268 -0.895 . . . . 0.0 109.491 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 298' ' ' GLN . . . . . 0.576 ' OE1' HG12 ' A' ' 299' ' ' VAL . 3.6 tm0? 66.97 -48.27 0.47 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.549 -0.719 . . . . 0.0 109.233 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 299' ' ' VAL . . . . . 0.576 HG12 ' OE1' ' A' ' 298' ' ' GLN . 5.4 p -173.28 106.32 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 CA-C-O 122.342 1.068 . . . . 0.0 109.399 179.533 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 300' ' ' SER . . . . . 0.553 ' O ' ' N ' ' A' ' 304' ' ' SER . 2.2 m 160.74 23.13 0.0 OUTLIER 'General case' 0 C--N 1.295 -1.773 0 CA-C-N 114.927 -1.033 . . . . 0.0 108.37 179.746 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 301' ' ' GLU . . . . . 0.458 ' C ' ' O ' ' A' ' 300' ' ' SER . 56.7 mt-10 -45.76 -24.91 0.42 Allowed 'General case' 0 N--CA 1.493 1.714 0 N-CA-C 106.414 -1.698 . . . . 0.0 106.414 178.089 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 302' ' ' PHE . . . . . 0.519 ' N ' ' C ' ' A' ' 300' ' ' SER . 38.6 t80 -75.18 -63.55 1.25 Allowed 'General case' 0 C--N 1.304 -1.385 0 CA-C-N 114.276 -1.329 . . . . 0.0 109.578 178.362 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 303' ' ' CYS . . . . . . . . . . . . . 66.3 m -70.96 -45.01 64.85 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.081 -1.012 . . . . 0.0 109.543 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 304' ' ' SER . . . . . 0.553 ' N ' ' O ' ' A' ' 300' ' ' SER . 42.2 t -53.97 -26.33 25.28 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.429 -0.795 . . . . 0.0 111.587 -178.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . 24.6 mtpp -97.13 -13.68 22.0 Favored 'General case' 0 N--CA 1.507 2.389 0 O-C-N 120.828 -1.17 . . . . 0.0 108.317 178.282 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 306' ' ' MET . . . . . . . . . . . . . 6.0 mmt -72.71 -26.07 61.46 Favored 'General case' 0 C--N 1.295 -1.766 0 N-CA-C 107.327 -1.361 . . . . 0.0 107.327 177.232 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 307' ' ' ASN . . . . . 0.424 ' O ' ' C ' ' A' ' 308' ' ' GLN . 30.5 t30 -84.65 -39.2 18.91 Favored 'General case' 0 N--CA 1.492 1.675 0 N-CA-C 106.673 -1.603 . . . . 0.0 106.673 179.521 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 308' ' ' GLN . . . . . 0.543 ' O ' ' N ' ' A' ' 310' ' ' CYS . 43.6 mm-40 -37.17 -40.14 0.3 Allowed 'General case' 0 N--CA 1.506 2.336 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 178.444 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 309' ' ' VAL . . . . . 0.414 ' H ' HG23 ' A' ' 309' ' ' VAL . 11.0 t -46.82 -12.66 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.874 0 CA-C-O 121.361 0.601 . . . . 0.0 109.729 179.283 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 310' ' ' CYS . . . . . 0.543 ' N ' ' O ' ' A' ' 308' ' ' GLN . 3.1 t -76.61 -59.9 2.58 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.417 -0.802 . . . . 0.0 109.314 179.476 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 311' ' ' GLY . . . . . . . . . . . . . . . -83.0 117.53 4.43 Favored Glycine 0 N--CA 1.493 2.453 0 N-CA-C 109.547 -1.421 . . . . 0.0 109.547 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 312' ' ' THR . . . . . . . . . . . . . 34.6 m -76.91 90.22 3.51 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.187 -1.184 . . . . 0.0 109.493 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 313' ' ' ARG . . . . . . . . . . . . . 42.2 ttp180 . . . . . 0 N--CA 1.489 1.506 0 CA-C-O 118.0 -1.0 . . . . 0.0 109.464 179.999 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 565' ' ' ASN . . . . . 0.402 ' N ' ' OD1' ' B' ' 565' ' ' ASN . 17.6 p-10 . . . . . 0 N--CA 1.49 1.563 0 CA-C-O 121.264 0.554 . . . . 0.0 109.53 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 566' ' ' GLY . . . . . . . . . . . . . . . -62.35 -34.95 90.87 Favored Glycine 0 N--CA 1.49 2.236 0 N-CA-C 109.598 -1.401 . . . . 0.0 109.598 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 567' ' ' SER . . . . . . . . . . . . . 77.5 p -171.43 -22.58 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.222 -1.163 . . . . 0.0 109.456 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 568' ' ' SER . . . . . 0.463 ' C ' ' H ' ' B' ' 570' ' ' GLN . 54.3 m -75.34 84.57 2.48 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.206 -0.933 . . . . 0.0 109.507 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 569' ' ' LEU . . . . . . . . . . . . . 14.8 mt -73.98 18.15 0.15 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.268 -0.895 . . . . 0.0 109.446 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 570' ' ' GLN . . . . . 0.463 ' H ' ' C ' ' B' ' 568' ' ' SER . 77.8 mt-30 -61.7 120.56 10.88 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.225 -0.922 . . . . 0.0 109.398 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 571' ' ' ASN . . . . . 0.413 ' O ' ' O ' ' B' ' 570' ' ' GLN . 12.7 m120 52.8 98.44 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.306 -0.871 . . . . 0.0 109.433 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -165.8 33.6 0.05 Allowed 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.312 -0.867 . . . . 0.0 109.416 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 573' ' ' ASP . . . . . 0.417 ' C ' ' H ' ' B' ' 575' ' ' ILE . 71.9 m-20 -67.04 177.55 1.7 Allowed 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.247 -0.908 . . . . 0.0 109.389 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 574' ' ' LYS . . . . . . . . . . . . . 21.4 pttm -71.84 9.21 0.95 Allowed 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.267 -0.896 . . . . 0.0 109.509 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 575' ' ' ILE . . . . . 0.417 ' H ' ' C ' ' B' ' 573' ' ' ASP . 6.0 tp -170.11 133.48 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.164 -0.96 . . . . 0.0 109.203 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 576' ' ' ASN . . . . . . . . . . . . . 10.4 p-10 -80.75 134.98 35.91 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.291 -0.881 . . . . 0.0 109.477 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 577' ' ' ASN . . . . . . . . . . . . . 70.3 m-80 -74.12 120.39 19.63 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.201 -0.937 . . . . 0.0 109.399 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 578' ' ' GLY . . . . . . . . . . . . . . . 178.13 119.68 0.61 Allowed Glycine 0 N--CA 1.49 2.246 0 N-CA-C 109.396 -1.481 . . . . 0.0 109.396 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 579' ' ' ASN . . . . . . . . . . . . . 60.6 m-80 -70.8 78.2 0.62 Allowed 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.181 -1.188 . . . . 0.0 109.485 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 580' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 52.69 77.84 0.15 Allowed 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.211 -0.93 . . . . 0.0 109.343 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 581' ' ' ASN . . . . . . . . . . . . . 30.8 m120 -65.7 -155.47 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.164 -0.96 . . . . 0.0 109.417 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 582' ' ' ASP . . . . . 0.459 ' C ' ' H ' ' B' ' 584' ' ' ASP . 36.7 t0 -169.47 164.77 10.55 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.218 -0.926 . . . . 0.0 109.379 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 583' ' ' ASN . . . . . 0.524 ' H ' HD22 ' B' ' 583' ' ' ASN . 2.1 m-80 -73.35 15.37 0.24 Allowed 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.256 -0.902 . . . . 0.0 109.483 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 584' ' ' ASP . . . . . 0.459 ' H ' ' C ' ' B' ' 582' ' ' ASP . 7.2 p-10 -170.64 55.04 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.23 -0.919 . . . . 0.0 109.525 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 585' ' ' ASN . . . . . 0.414 ' CG ' ' H ' ' B' ' 586' ' ' ASP . 26.7 t-20 -64.67 175.98 1.28 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.262 -0.899 . . . . 0.0 109.403 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 586' ' ' ASP . . . . . 0.414 ' H ' ' CG ' ' B' ' 585' ' ' ASN . 7.2 p-10 -77.16 53.36 0.98 Allowed 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.201 -0.937 . . . . 0.0 109.37 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 587' ' ' VAL . . . . . . . . . . . . . 3.8 t -74.42 -121.88 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 O-C-N 121.22 -0.925 . . . . 0.0 109.487 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 588' ' ' VAL . . . . . 0.642 ' N ' ' CD ' ' B' ' 589' ' ' PRO . 10.7 p -92.25 -19.64 0.24 Allowed Pre-proline 0 N--CA 1.5 2.039 0 N-CA-C 114.117 1.154 . . . . 0.0 114.117 -178.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 589' ' ' PRO . . . . . 0.642 ' CD ' ' N ' ' B' ' 588' ' ' VAL . 3.1 Cg_exo -65.49 -178.1 0.83 Allowed 'Trans proline' 0 C--O 1.215 -0.653 0 CA-C-N 120.68 1.279 . . . . 0.0 109.63 -179.479 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 590' ' ' SER . . . . . 0.431 ' O ' ' O ' ' B' ' 591' ' ' LYS . 35.2 t -150.57 35.29 0.63 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.265 -0.897 . . . . 0.0 109.47 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 591' ' ' LYS . . . . . 0.431 ' O ' ' O ' ' B' ' 590' ' ' SER . 20.6 pttp 36.53 -156.9 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.084 0 CA-C-O 121.237 0.541 . . . . 0.0 110.731 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 592' ' ' GLU . . . . . 0.422 ' O ' ' O ' ' B' ' 591' ' ' LYS . 12.0 mm-40 -60.99 -150.13 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.186 -0.946 . . . . 0.0 109.318 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 593' ' ' GLY . . . . . . . . . . . . . . . -156.31 126.72 1.85 Allowed Glycine 0 N--CA 1.492 2.402 0 N-CA-C 109.421 -1.471 . . . . 0.0 109.421 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 594' ' ' SER . . . . . . . . . . . . . 62.8 m -69.62 166.71 18.47 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.319 -1.107 . . . . 0.0 110.015 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 595' ' ' LEU . . . . . 0.548 HD12 ' N ' ' B' ' 595' ' ' LEU . 8.2 mp -90.19 118.27 29.58 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 179.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 596' ' ' LEU . . . . . 0.531 HD12 ' H ' ' B' ' 596' ' ' LEU . 0.0 OUTLIER -128.06 146.55 50.64 Favored 'General case' 0 N--CA 1.501 2.087 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 -179.89 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 597' ' ' ARG . . . . . 0.414 HH11 ' CG ' ' B' ' 597' ' ' ARG . 0.0 OUTLIER -78.92 -169.22 1.71 Allowed 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.361 -0.837 . . . . 0.0 109.847 -179.507 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 598' ' ' CYS . . . . . 0.519 ' O ' ' N ' ' B' ' 600' ' ' GLU . 1.8 p -65.41 -92.36 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.516 -0.74 . . . . 0.0 110.701 -178.688 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 14.2 t -45.04 -18.04 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.861 0 CA-C-O 121.957 0.884 . . . . 0.0 109.439 -179.404 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 600' ' ' GLU . . . . . 0.519 ' N ' ' O ' ' B' ' 598' ' ' CYS . 6.7 tm-20 -48.01 -41.63 26.03 Favored 'General case' 0 C--N 1.302 -1.472 0 CA-C-O 122.675 1.226 . . . . 0.0 108.564 179.333 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 601' ' ' ILE . . . . . 0.535 ' O ' ' N ' ' B' ' 604' ' ' ARG . 1.0 OUTLIER -66.34 -35.78 75.77 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.083 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 -178.269 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 602' ' ' TRP . . . . . 0.403 ' C ' ' O ' ' B' ' 601' ' ' ILE . 15.5 t-105 -44.99 -40.55 6.56 Favored 'General case' 0 N--CA 1.494 1.75 0 N-CA-C 108.061 -1.089 . . . . 0.0 108.061 179.81 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 603' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -65.13 -41.88 94.41 Favored 'General case' 0 C--N 1.304 -1.411 0 N-CA-C 107.721 -1.215 . . . . 0.0 107.721 177.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 604' ' ' ARG . . . . . 0.535 ' N ' ' O ' ' B' ' 601' ' ' ILE . 15.7 tpt180 -58.6 -33.48 70.06 Favored 'General case' 0 N--CA 1.497 1.921 0 CA-C-O 121.844 0.83 . . . . 0.0 109.464 179.108 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 605' ' ' ILE . . . . . . . . . . . . . 85.7 mt -80.05 -48.33 20.44 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.784 0 O-C-N 121.792 -0.567 . . . . 0.0 111.109 -179.381 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 606' ' ' THR . . . . . . . . . . . . . 35.1 p -53.3 -35.81 60.52 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 120.518 -1.364 . . . . 0.0 110.611 -178.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 607' ' ' THR . . . . . . . . . . . . . 6.7 t -77.52 25.8 0.18 Allowed 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.897 -1.127 . . . . 0.0 110.59 -179.087 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 608' ' ' HIS . . . . . 0.526 ' CE1' ' O ' ' B' ' 604' ' ' ARG . 4.2 m-70 -118.64 84.37 24.39 Favored Pre-proline 0 N--CA 1.503 2.217 0 O-C-N 121.259 -0.901 . . . . 0.0 110.062 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 609' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_exo -62.69 67.23 0.13 Allowed 'Trans proline' 0 C--N 1.323 -0.811 0 C-N-CA 121.331 1.354 . . . . 0.0 109.544 179.462 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 610' ' ' LYS . . . . . 0.525 ' N ' ' O ' ' B' ' 608' ' ' HIS . 18.9 pttp -178.22 41.78 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.175 -0.953 . . . . 0.0 109.334 179.68 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 611' ' ' TYR . . . . . 0.54 ' O ' ' N ' ' B' ' 613' ' ' ASP . 13.0 m-85 -47.6 -54.39 11.96 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.063 -1.023 . . . . 0.0 108.973 179.776 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 612' ' ' SER . . . . . . . . . . . . . 6.1 t 60.19 -74.57 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.508 -0.745 . . . . 0.0 109.881 179.655 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 613' ' ' ASP . . . . . 0.54 ' N ' ' O ' ' B' ' 611' ' ' TYR . 17.5 t70 -163.42 78.09 0.42 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.287 -0.883 . . . . 0.0 109.296 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 614' ' ' ILE . . . . . 0.444 HG22 ' N ' ' B' ' 615' ' ' ASP . 16.8 mm -80.62 166.62 2.38 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 121.284 -0.885 . . . . 0.0 109.765 -179.713 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 615' ' ' ASP . . . . . 0.444 ' N ' HG22 ' B' ' 614' ' ' ILE . 24.4 t0 -130.94 106.58 8.51 Favored 'General case' 0 N--CA 1.491 1.614 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 179.165 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 616' ' ' VAL . . . . . 0.442 HG22 ' H ' ' B' ' 616' ' ' VAL . 13.1 m -80.57 -16.97 12.54 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 CA-C-O 121.627 0.727 . . . . 0.0 109.356 -179.768 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 617' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -68.5 -43.97 75.72 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.29 -0.881 . . . . 0.0 110.217 -179.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 618' ' ' GLY . . . . . 0.436 ' O ' ' OE2' ' B' ' 622' ' ' GLU . . . -65.46 -37.64 93.98 Favored Glycine 0 N--CA 1.489 2.225 0 N-CA-C 110.003 -1.239 . . . . 0.0 110.003 -179.493 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 619' ' ' LEU . . . . . . . . . . . . . 4.4 mt -64.09 -22.42 66.93 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.104 -1.233 . . . . 0.0 108.064 179.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 620' ' ' CYS . . . . . . . . . . . . . 11.3 t -69.51 -53.58 18.41 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.558 -0.714 . . . . 0.0 110.849 -179.508 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 34.8 t -82.46 -1.59 50.7 Favored 'General case' 0 N--CA 1.502 2.128 0 O-C-N 120.562 -1.336 . . . . 0.0 110.531 -179.167 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 622' ' ' GLU . . . . . 0.436 ' OE2' ' O ' ' B' ' 618' ' ' GLY . 0.4 OUTLIER -99.14 -47.72 5.11 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.045 -1.034 . . . . 0.0 109.107 178.128 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 623' ' ' LEU . . . . . 0.478 HD12 ' N ' ' B' ' 623' ' ' LEU . 9.1 mp -86.24 -19.71 29.56 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 120.85 -1.156 . . . . 0.0 110.706 -179.204 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 624' ' ' MET . . . . . . . . . . . . . 24.5 ttt -71.46 -28.23 63.81 Favored 'General case' 0 N--CA 1.502 2.133 0 O-C-N 120.763 -1.211 . . . . 0.0 111.716 -178.437 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 625' ' ' ALA . . . . . . . . . . . . . . . -103.73 -3.39 25.08 Favored 'General case' 0 N--CA 1.506 2.361 0 O-C-N 120.746 -1.221 . . . . 0.0 109.288 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 626' ' ' LYS . . . . . 0.438 ' O ' ' NZ ' ' B' ' 628' ' ' LYS . 32.0 mmtm -96.38 -15.32 21.9 Favored 'General case' 0 N--CA 1.494 1.734 0 N-CA-C 106.879 -1.526 . . . . 0.0 106.879 176.524 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 627' ' ' ALA . . . . . . . . . . . . . . . -48.48 145.95 3.2 Favored 'General case' 0 N--CA 1.493 1.691 0 CA-C-O 121.478 0.656 . . . . 0.0 110.954 -179.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 628' ' ' LYS . . . . . 0.438 ' NZ ' ' O ' ' B' ' 626' ' ' LYS . 40.5 mmtm -123.94 89.79 3.15 Favored 'General case' 0 N--CA 1.497 1.925 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 179.422 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 629' ' ' CYS . . . . . . . . . . . . . 18.0 t -48.83 118.31 2.51 Favored 'General case' 0 N--CA 1.494 1.741 0 CA-C-O 122.249 1.024 . . . . 0.0 111.12 -178.595 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 630' ' ' SER . . . . . . . . . . . . . 13.1 t -142.93 161.86 37.0 Favored 'General case' 0 N--CA 1.495 1.811 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 178.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 631' ' ' GLU . . . . . 0.507 ' C ' ' H ' ' B' ' 633' ' ' GLY . 63.1 tt0 -63.35 -29.75 71.0 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.546 -1.346 . . . . 0.0 109.202 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 16.4 mmt180 -79.75 32.78 0.25 Allowed 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 107.548 -1.278 . . . . 0.0 107.548 178.041 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 633' ' ' GLY . . . . . 0.507 ' H ' ' C ' ' B' ' 631' ' ' GLU . . . 74.77 -171.52 53.49 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 108.296 -1.922 . . . . 0.0 108.296 -178.72 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 634' ' ' VAL . . . . . 0.433 ' O ' HG23 ' B' ' 634' ' ' VAL . 30.8 m -77.47 140.62 16.77 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 O-C-N 120.796 -1.414 . . . . 0.0 109.689 179.582 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 18.3 m -127.91 133.72 66.74 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.384 0 O-C-N 121.097 -1.002 . . . . 0.0 108.766 178.352 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 636' ' ' ILE . . . . . 0.45 ' O ' HD12 ' B' ' 596' ' ' LEU . 4.2 mt -125.32 156.46 34.49 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.877 0 CA-C-O 121.339 0.59 . . . . 0.0 109.953 -178.373 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 637' ' ' ASN . . . . . 0.527 ' O ' ' N ' ' B' ' 639' ' ' GLU . 4.1 m-80 -89.58 121.92 32.24 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.19 -0.944 . . . . 0.0 109.033 179.207 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -47.6 -10.4 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.617 -0.677 . . . . 0.0 110.242 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 639' ' ' GLU . . . . . 0.527 ' N ' ' O ' ' B' ' 637' ' ' ASN . 41.0 tt0 -77.11 -20.31 55.83 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.9 -1.125 . . . . 0.0 109.685 179.623 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 640' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -87.97 -44.94 10.64 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 120.564 -1.335 . . . . 0.0 108.598 177.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 641' ' ' VAL . . . . . 0.446 ' H ' HG13 ' B' ' 641' ' ' VAL . 1.8 m -65.22 -32.76 59.67 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 121.031 -1.043 . . . . 0.0 108.918 178.58 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 642' ' ' GLN . . . . . . . . . . . . . 21.6 tp60 -72.61 -32.97 66.36 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.209 -0.932 . . . . 0.0 109.21 179.506 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 643' ' ' LEU . . . . . . . . . . . . . 89.2 mt -83.97 -21.94 31.6 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.212 -0.93 . . . . 0.0 108.761 178.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 644' ' ' ALA . . . . . . . . . . . . . . . -87.74 -36.26 17.45 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.085 -1.01 . . . . 0.0 108.791 178.41 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 645' ' ' LEU . . . . . . . . . . . . . 18.8 mt -77.59 -24.46 49.68 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.293 -0.88 . . . . 0.0 109.2 179.079 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 646' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -91.95 -8.15 47.04 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.912 -1.118 . . . . 0.0 109.882 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 647' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -104.79 -10.07 17.65 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.359 -0.838 . . . . 0.0 109.401 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 648' ' ' HIS . . . . . . . . . . . . . 23.3 m-70 -112.33 7.21 19.19 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.508 -0.745 . . . . 0.0 109.461 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 649' ' ' MET . . . . . . . . . . . . . 25.5 mmm -96.19 103.09 14.97 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.238 -0.914 . . . . 0.0 109.227 179.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 650' ' ' ASN . . . . . . . . . . . . . 14.0 m120 . . . . . 0 N--CA 1.489 1.509 0 CA-C-O 118.087 -0.959 . . . . 0.0 109.471 179.955 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 279' ' ' ASN . . . . . 0.646 HD22 ' N ' ' A' ' 279' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 280' ' ' LEU . . . . . 0.581 HD22 ' N ' ' A' ' 280' ' ' LEU . 3.5 mm? -70.48 -61.54 1.73 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.337 -0.852 . . . . 0.0 109.21 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 281' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -67.84 83.26 0.2 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.282 -0.886 . . . . 0.0 109.513 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 282' ' ' SER . . . . . 0.425 ' O ' ' O ' ' A' ' 283' ' ' ASN . 49.1 m -62.97 169.28 3.39 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.214 -0.929 . . . . 0.0 109.42 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 283' ' ' ASN . . . . . 0.425 ' O ' ' O ' ' A' ' 282' ' ' SER . 49.8 t-20 53.96 100.39 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.236 -0.915 . . . . 0.0 109.464 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 284' ' ' MET . . . . . 0.502 ' SD ' ' O ' ' A' ' 285' ' ' PHE . 12.2 tmm? -162.61 97.67 0.98 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.221 -0.924 . . . . 0.0 109.392 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 285' ' ' PHE . . . . . 0.502 ' O ' ' SD ' ' A' ' 284' ' ' MET . 97.0 m-85 -58.48 -179.49 0.06 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.366 -0.834 . . . . 0.0 109.603 -179.73 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 286' ' ' SER . . . . . 0.426 ' OG ' ' N ' ' A' ' 287' ' ' ASN . 92.5 p -47.95 -73.87 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.27 -0.893 . . . . 0.0 109.718 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 287' ' ' ASN . . . . . 0.426 ' N ' ' OG ' ' A' ' 286' ' ' SER . 11.0 m120 -157.64 -86.0 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.255 -0.903 . . . . 0.0 109.436 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 288' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -62.96 157.75 21.0 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.273 -0.892 . . . . 0.0 109.471 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 289' ' ' PHE . . . . . . . . . . . . . 93.4 t80 -68.06 -62.17 1.52 Allowed 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.265 -0.897 . . . . 0.0 109.451 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 290' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -166.64 125.82 1.49 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.227 -0.921 . . . . 0.0 109.418 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 291' ' ' PHE . . . . . 0.507 ' O ' ' CD2' ' A' ' 291' ' ' PHE . 67.7 t80 -169.25 0.68 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.25 -0.906 . . . . 0.0 109.456 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 292' ' ' GLU . . . . . . . . . . . . . 18.8 tp10 -166.02 89.17 0.4 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.202 -0.936 . . . . 0.0 109.514 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 293' ' ' ASN . . . . . . . . . . . . . 58.5 t-20 53.91 -124.37 2.22 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.219 -0.925 . . . . 0.0 109.512 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 294' ' ' GLN . . . . . 0.436 ' O ' ' CG ' ' A' ' 295' ' ' PHE . 60.0 tt0 -169.39 162.16 10.17 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.295 -0.878 . . . . 0.0 109.324 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 295' ' ' PHE . . . . . 0.436 ' CG ' ' O ' ' A' ' 294' ' ' GLN . 78.3 m-85 -154.72 -167.08 2.49 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.268 -0.895 . . . . 0.0 109.241 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -158.46 86.74 0.87 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.255 -0.903 . . . . 0.0 109.542 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 297' ' ' GLU . . . . . 0.467 ' N ' ' CD ' ' A' ' 297' ' ' GLU . 10.2 mp0 49.98 -145.4 0.45 Allowed 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.24 -0.912 . . . . 0.0 109.493 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 298' ' ' GLN . . . . . . . . . . . . . 8.9 tp-100 -162.51 -46.28 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.293 -0.879 . . . . 0.0 109.532 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 299' ' ' VAL . . . . . 0.454 HG23 ' H ' ' A' ' 300' ' ' SER . 2.4 m -70.26 -106.14 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 121.249 -0.907 . . . . 0.0 109.345 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 300' ' ' SER . . . . . 0.454 ' H ' HG23 ' A' ' 299' ' ' VAL . 3.9 t 60.89 -128.09 0.9 Allowed 'General case' 0 C--N 1.303 -1.443 0 C-N-CA 119.935 -0.706 . . . . 0.0 110.544 178.696 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 301' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -44.47 -27.93 0.51 Allowed 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.607 -0.683 . . . . 0.0 109.276 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 302' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -63.36 -62.65 1.54 Allowed 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 303' ' ' CYS . . . . . . . . . . . . . 78.8 m -80.64 -49.38 11.33 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.429 -0.794 . . . . 0.0 110.135 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 9.2 p -48.09 -25.96 1.65 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.402 -0.811 . . . . 0.0 110.807 -178.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . 23.9 mtpp -104.2 -14.7 15.74 Favored 'General case' 0 N--CA 1.504 2.235 0 O-C-N 121.04 -1.037 . . . . 0.0 108.773 178.556 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 306' ' ' MET . . . . . . . . . . . . . 26.7 tpp -72.46 -25.64 61.52 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 107.013 -1.477 . . . . 0.0 107.013 176.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 307' ' ' ASN . . . . . 0.465 ' O ' ' N ' ' A' ' 310' ' ' CYS . 30.2 t30 -85.87 -41.46 14.95 Favored 'General case' 0 N--CA 1.494 1.768 0 N-CA-C 106.439 -1.689 . . . . 0.0 106.439 178.333 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 308' ' ' GLN . . . . . 0.529 ' O ' ' N ' ' A' ' 310' ' ' CYS . 42.8 tt0 -35.19 -37.11 0.07 Allowed 'General case' 0 N--CA 1.505 2.286 0 CA-C-O 121.458 0.647 . . . . 0.0 109.416 178.806 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 309' ' ' VAL . . . . . 0.417 ' N ' ' O ' ' A' ' 307' ' ' ASN . 21.6 t -47.8 -13.78 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.879 0 O-C-N 121.346 -0.847 . . . . 0.0 109.051 178.748 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 310' ' ' CYS . . . . . 0.529 ' N ' ' O ' ' A' ' 308' ' ' GLN . 1.8 m -84.24 -17.06 41.02 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.482 -0.761 . . . . 0.0 109.242 179.72 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 311' ' ' GLY . . . . . . . . . . . . . . . -79.38 150.12 33.0 Favored Glycine 0 N--CA 1.489 2.229 0 N-CA-C 109.4 -1.48 . . . . 0.0 109.4 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 312' ' ' THR . . . . . . . . . . . . . 40.5 p -77.02 105.89 8.38 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.227 -1.16 . . . . 0.0 109.491 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 313' ' ' ARG . . . . . 0.415 ' HG3' HH11 ' A' ' 313' ' ' ARG . 13.0 mmm-85 . . . . . 0 N--CA 1.491 1.597 0 CA-C-O 117.991 -1.004 . . . . 0.0 109.412 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 565' ' ' ASN . . . . . . . . . . . . . 8.7 m120 . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 566' ' ' GLY . . . . . . . . . . . . . . . 178.48 25.66 0.04 OUTLIER Glycine 0 N--CA 1.489 2.223 0 N-CA-C 109.641 -1.383 . . . . 0.0 109.641 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 567' ' ' SER . . . . . 0.404 ' OG ' ' N ' ' B' ' 568' ' ' SER . 79.7 p -67.64 -104.33 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.213 -1.169 . . . . 0.0 109.387 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 568' ' ' SER . . . . . 0.404 ' N ' ' OG ' ' B' ' 567' ' ' SER . 49.0 m -73.97 49.81 0.34 Allowed 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.183 -0.948 . . . . 0.0 109.381 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 569' ' ' LEU . . . . . . . . . . . . . 34.0 tp -64.31 123.53 19.4 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.211 -0.931 . . . . 0.0 109.279 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 570' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -168.16 -75.82 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.217 -0.927 . . . . 0.0 109.526 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 571' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -71.36 -79.72 0.07 Allowed 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.271 -0.893 . . . . 0.0 109.492 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . 52.22 -178.96 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.215 -0.928 . . . . 0.0 109.454 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 573' ' ' ASP . . . . . . . . . . . . . 43.6 m-20 52.74 83.05 0.07 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.189 -0.944 . . . . 0.0 109.507 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 574' ' ' LYS . . . . . . . . . . . . . 46.1 mtmt -69.02 132.62 46.94 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.231 -0.918 . . . . 0.0 109.484 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 575' ' ' ILE . . . . . . . . . . . . . 16.0 mm -65.65 113.33 2.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.283 -0.885 . . . . 0.0 109.41 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 576' ' ' ASN . . . . . . . . . . . . . 33.8 m120 -65.62 126.79 29.46 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.144 -0.973 . . . . 0.0 109.534 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 577' ' ' ASN . . . . . . . . . . . . . 72.3 m-80 -63.94 166.95 6.75 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.231 -0.918 . . . . 0.0 109.46 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 578' ' ' GLY . . . . . . . . . . . . . . . 179.45 -172.37 44.26 Favored Glycine 0 N--CA 1.489 2.177 0 N-CA-C 109.43 -1.468 . . . . 0.0 109.43 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 579' ' ' ASN . . . . . 0.536 ' O ' ' N ' ' B' ' 581' ' ' ASN . 26.8 m120 -157.18 -155.12 0.5 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.203 -1.174 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 580' ' ' ASP . . . . . 0.432 ' O ' ' O ' ' B' ' 581' ' ' ASN . 5.4 m-20 60.85 -74.85 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.461 -0.774 . . . . 0.0 109.845 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 581' ' ' ASN . . . . . 0.536 ' N ' ' O ' ' B' ' 579' ' ' ASN . 8.2 m-80 55.23 103.16 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.127 -0.983 . . . . 0.0 109.54 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 582' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 54.18 -127.57 2.32 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.162 -0.961 . . . . 0.0 109.606 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 583' ' ' ASN . . . . . . . . . . . . . 48.3 t30 -162.2 89.09 0.69 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.222 -0.924 . . . . 0.0 109.481 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 584' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -66.2 92.39 0.18 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.253 -0.905 . . . . 0.0 109.424 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 585' ' ' ASN . . . . . . . . . . . . . 14.8 p-10 -71.07 125.02 25.77 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.224 -0.923 . . . . 0.0 109.441 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 586' ' ' ASP . . . . . 0.454 ' C ' ' H ' ' B' ' 588' ' ' VAL . 66.2 m-20 -67.21 -172.44 0.21 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.291 -0.88 . . . . 0.0 109.458 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 587' ' ' VAL . . . . . 0.412 ' H ' HG23 ' B' ' 587' ' ' VAL . 2.8 t -74.43 12.92 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.184 -0.947 . . . . 0.0 109.149 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 588' ' ' VAL . . . . . 0.454 ' H ' ' C ' ' B' ' 586' ' ' ASP . 13.5 t 53.44 67.47 3.66 Favored Pre-proline 0 C--N 1.297 -1.708 0 O-C-N 121.632 -0.667 . . . . 0.0 109.704 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 589' ' ' PRO . . . . . 0.427 ' O ' ' O ' ' B' ' 590' ' ' SER . 2.2 Cg_endo -62.55 154.17 66.56 Favored 'Trans proline' 0 C--N 1.318 -1.074 0 C-N-CA 121.392 1.395 . . . . 0.0 109.859 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 590' ' ' SER . . . . . 0.427 ' O ' ' O ' ' B' ' 589' ' ' PRO . 13.5 m 53.63 100.46 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.291 -0.881 . . . . 0.0 109.537 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 591' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -65.3 93.17 0.13 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.307 -0.87 . . . . 0.0 109.521 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 17.4 tp10 -63.74 117.51 6.99 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.261 -0.9 . . . . 0.0 109.585 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 593' ' ' GLY . . . . . . . . . . . . . . . 154.41 117.09 0.61 Allowed Glycine 0 N--CA 1.492 2.413 0 N-CA-C 109.325 -1.51 . . . . 0.0 109.325 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 594' ' ' SER . . . . . 0.431 ' C ' HD22 ' B' ' 595' ' ' LEU . 67.6 m -79.93 165.94 22.14 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.146 -1.208 . . . . 0.0 110.262 -179.693 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 595' ' ' LEU . . . . . 0.624 HD22 ' N ' ' B' ' 595' ' ' LEU . 3.7 mm? -96.15 126.9 41.69 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 179.588 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 596' ' ' LEU . . . . . . . . . . . . . 1.6 mp -129.27 150.58 50.59 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.25 -0.906 . . . . 0.0 109.781 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 597' ' ' ARG . . . . . 0.524 HH11 ' CG ' ' B' ' 597' ' ' ARG . 0.0 OUTLIER -94.26 -161.25 0.84 Allowed 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.398 -0.814 . . . . 0.0 110.27 -178.896 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 598' ' ' CYS . . . . . . . . . . . . . 2.7 p -71.1 -84.95 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.398 -0.813 . . . . 0.0 110.176 -179.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 599' ' ' SER . . . . . 0.459 ' O ' ' N ' ' B' ' 602' ' ' TRP . 1.1 p -45.6 -29.35 1.18 Allowed 'General case' 0 N--CA 1.496 1.874 0 CA-C-O 122.342 1.068 . . . . 0.0 108.778 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 600' ' ' GLU . . . . . . . . . . . . . 25.1 tp10 -47.78 -38.05 14.81 Favored 'General case' 0 C--N 1.303 -1.431 0 CA-C-O 122.548 1.166 . . . . 0.0 108.342 179.295 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 601' ' ' ILE . . . . . 0.592 ' O ' ' N ' ' B' ' 604' ' ' ARG . 1.3 mp -68.86 -34.6 65.27 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.109 0 N-CA-C 107.601 -1.259 . . . . 0.0 107.601 -178.722 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 602' ' ' TRP . . . . . 0.459 ' N ' ' O ' ' B' ' 599' ' ' SER . 54.4 t-105 -44.15 -36.82 2.8 Favored 'General case' 0 N--CA 1.494 1.754 0 N-CA-C 107.397 -1.335 . . . . 0.0 107.397 179.481 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 603' ' ' ASP . . . . . 0.426 ' O ' ' OG1' ' B' ' 606' ' ' THR . 27.5 t70 -68.66 -42.85 77.33 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 107.633 -1.247 . . . . 0.0 107.633 177.355 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 604' ' ' ARG . . . . . 0.592 ' N ' ' O ' ' B' ' 601' ' ' ILE . 10.8 mmt-85 -56.56 -39.9 74.25 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.151 -0.968 . . . . 0.0 109.223 178.774 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 605' ' ' ILE . . . . . . . . . . . . . 10.4 mm -66.07 -47.61 84.37 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.075 0 O-C-N 121.357 -0.84 . . . . 0.0 110.345 179.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 606' ' ' THR . . . . . 0.426 ' OG1' ' O ' ' B' ' 603' ' ' ASP . 37.8 p -48.12 -41.78 27.43 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.896 -1.127 . . . . 0.0 109.971 -179.33 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 607' ' ' THR . . . . . . . . . . . . . 44.6 p -44.85 -59.12 2.7 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.169 -0.957 . . . . 0.0 110.369 -179.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 608' ' ' HIS . . . . . . . . . . . . . 70.1 m80 -59.67 131.22 88.53 Favored Pre-proline 0 N--CA 1.491 1.599 0 O-C-N 121.051 -1.03 . . . . 0.0 109.174 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 609' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_endo -63.0 -79.55 0.01 OUTLIER 'Trans proline' 0 CA--C 1.537 0.653 0 N-CA-C 109.737 -0.909 . . . . 0.0 109.737 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 610' ' ' LYS . . . . . . . . . . . . . 25.3 pttt -84.66 82.85 8.24 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.303 -0.873 . . . . 0.0 109.381 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 611' ' ' TYR . . . . . . . . . . . . . 43.2 p90 -86.97 28.1 0.94 Allowed 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.239 -0.913 . . . . 0.0 109.704 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 612' ' ' SER . . . . . 0.513 ' C ' ' H ' ' B' ' 614' ' ' ILE . 80.4 p -86.69 -30.67 21.52 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.99 -1.069 . . . . 0.0 109.793 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 613' ' ' ASP . . . . . . . . . . . . . 43.7 m-20 -63.28 13.11 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.155 -0.965 . . . . 0.0 110.903 -179.504 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 614' ' ' ILE . . . . . 0.668 HG22 ' N ' ' B' ' 615' ' ' ASP . 68.2 mt -117.52 176.14 2.95 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.018 0 O-C-N 121.054 -1.029 . . . . 0.0 109.158 -179.7 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 615' ' ' ASP . . . . . 0.668 ' N ' HG22 ' B' ' 614' ' ' ILE . 69.7 m-20 -122.08 132.84 54.7 Favored 'General case' 0 N--CA 1.498 1.945 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 179.462 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 616' ' ' VAL . . . . . . . . . . . . . 14.3 m -77.89 -17.17 14.03 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 O-C-N 121.39 -0.819 . . . . 0.0 109.862 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 617' ' ' ASP . . . . . 0.425 ' OD1' ' N ' ' B' ' 618' ' ' GLY . 2.0 p30 -75.44 -31.86 60.47 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.168 -0.957 . . . . 0.0 110.107 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 618' ' ' GLY . . . . . 0.425 ' N ' ' OD1' ' B' ' 617' ' ' ASP . . . -68.33 -41.05 86.78 Favored Glycine 0 N--CA 1.49 2.298 0 C-N-CA 119.723 -1.227 . . . . 0.0 110.375 -179.295 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 619' ' ' LEU . . . . . 0.855 HD22 ' H ' ' B' ' 619' ' ' LEU . 1.5 mm? -70.11 -22.84 62.98 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 120.716 -1.461 . . . . 0.0 108.067 179.495 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 620' ' ' CYS . . . . . . . . . . . . . 96.4 m -69.29 -53.47 19.54 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.227 -0.921 . . . . 0.0 110.362 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 31.4 t -83.5 -1.35 53.48 Favored 'General case' 0 N--CA 1.502 2.151 0 O-C-N 120.522 -1.361 . . . . 0.0 110.806 -179.115 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 622' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -100.12 -46.66 5.24 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 120.966 -1.084 . . . . 0.0 109.76 178.166 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 623' ' ' LEU . . . . . . . . . . . . . 9.4 mp -85.55 -17.45 36.28 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 120.962 -1.086 . . . . 0.0 110.204 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 624' ' ' MET . . . . . . . . . . . . . 12.9 ttt -68.6 -29.25 67.74 Favored 'General case' 0 N--CA 1.499 2.025 0 O-C-N 120.7 -1.25 . . . . 0.0 111.293 -178.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 625' ' ' ALA . . . . . . . . . . . . . . . -105.23 -30.92 9.36 Favored 'General case' 0 N--CA 1.504 2.256 0 O-C-N 120.739 -1.226 . . . . 0.0 109.369 179.6 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 626' ' ' LYS . . . . . . . . . . . . . 66.7 mmtt -63.85 -14.5 53.66 Favored 'General case' 0 C--N 1.299 -1.614 0 N-CA-C 106.124 -1.806 . . . . 0.0 106.124 176.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 627' ' ' ALA . . . . . . . . . . . . . . . -45.86 122.41 3.75 Favored 'General case' 0 N--CA 1.492 1.641 0 CA-C-N 115.215 -0.902 . . . . 0.0 111.956 -179.504 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 628' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -94.98 88.4 5.24 Favored 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 106.325 -1.731 . . . . 0.0 106.325 176.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 629' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -58.67 138.92 56.71 Favored 'General case' 0 C--N 1.299 -1.625 0 CA-C-O 122.431 1.11 . . . . 0.0 112.334 -176.577 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 630' ' ' SER . . . . . . . . . . . . . 3.6 t -142.1 162.69 34.83 Favored 'General case' 0 N--CA 1.493 1.725 0 N-CA-C 107.347 -1.353 . . . . 0.0 107.347 178.274 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 631' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -69.09 -34.4 75.06 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.444 -1.41 . . . . 0.0 110.518 -178.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 632' ' ' ARG . . . . . 0.572 ' CG ' HH11 ' B' ' 632' ' ' ARG . 3.1 mtt-85 -70.9 -17.27 62.71 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.855 -1.153 . . . . 0.0 108.856 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 633' ' ' GLY . . . . . . . . . . . . . . . 143.82 179.9 20.71 Favored Glycine 0 N--CA 1.496 2.633 0 N-CA-C 108.722 -1.751 . . . . 0.0 108.722 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 634' ' ' VAL . . . . . 0.468 HG22 ' N ' ' B' ' 635' ' ' VAL . 3.2 p -79.33 160.42 4.35 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.39 0 O-C-N 120.685 -1.479 . . . . 0.0 110.015 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 635' ' ' VAL . . . . . 0.468 ' N ' HG22 ' B' ' 634' ' ' VAL . 19.4 m -150.5 143.56 17.18 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 N-CA-C 107.929 -1.138 . . . . 0.0 107.929 177.722 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 636' ' ' ILE . . . . . . . . . . . . . 80.8 mt -130.99 147.54 33.07 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.051 0 O-C-N 121.25 -0.906 . . . . 0.0 109.959 -178.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 637' ' ' ASN . . . . . 0.507 ' ND2' ' OE1' ' B' ' 639' ' ' GLU . 59.9 t30 -88.83 136.83 32.8 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.247 -0.908 . . . . 0.0 109.054 179.429 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -48.59 -10.6 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.472 -0.768 . . . . 0.0 110.992 -179.326 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 639' ' ' GLU . . . . . 0.528 ' N ' ' OE1' ' B' ' 639' ' ' GLU . 11.5 mp0 -80.83 -19.81 43.81 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.9 -1.125 . . . . 0.0 110.663 -179.645 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 640' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -86.81 -44.64 11.58 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 120.311 -1.493 . . . . 0.0 108.722 178.292 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 641' ' ' VAL . . . . . 0.424 ' H ' HG12 ' B' ' 641' ' ' VAL . 0.8 OUTLIER -66.67 -44.52 89.64 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 120.876 -1.14 . . . . 0.0 108.45 178.34 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 642' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -60.51 -35.81 76.86 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.119 -0.988 . . . . 0.0 109.752 -179.471 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 643' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -83.23 -18.85 37.79 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.024 -1.048 . . . . 0.0 108.832 178.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 644' ' ' ALA . . . . . . . . . . . . . . . -86.65 -38.98 16.53 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 120.814 -1.179 . . . . 0.0 109.163 178.535 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 645' ' ' LEU . . . . . 0.519 ' O ' ' N ' ' B' ' 647' ' ' LYS . 44.4 mt -77.61 -68.02 0.66 Allowed 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.576 -1.328 . . . . 0.0 108.805 178.732 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 646' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -45.43 -15.22 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.171 -0.955 . . . . 0.0 110.508 -179.196 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 647' ' ' LYS . . . . . 0.519 ' N ' ' O ' ' B' ' 645' ' ' LEU . 77.4 tttt -94.38 -11.88 29.03 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.003 -1.061 . . . . 0.0 109.753 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 648' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -109.84 18.49 20.1 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.474 -0.766 . . . . 0.0 109.424 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 649' ' ' MET . . . . . . . . . . . . . 6.5 mmt -96.56 99.73 11.35 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.284 -0.885 . . . . 0.0 109.227 179.556 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 650' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 . . . . . 0 N--CA 1.49 1.53 0 CA-C-O 117.958 -1.02 . . . . 0.0 109.506 -179.933 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 279' ' ' ASN . . . . . 0.464 ' C ' ' H ' ' A' ' 281' ' ' ASP . 6.9 p30 . . . . . 0 N--CA 1.489 1.517 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 280' ' ' LEU . . . . . 0.582 HD12 ' N ' ' A' ' 280' ' ' LEU . 8.1 mp -73.14 14.8 0.26 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.299 -0.876 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 281' ' ' ASP . . . . . 0.464 ' H ' ' C ' ' A' ' 279' ' ' ASN . 1.2 m-20 -75.43 25.71 0.1 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.212 -0.93 . . . . 0.0 109.521 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 282' ' ' SER . . . . . 0.468 ' H ' ' C ' ' A' ' 280' ' ' LEU . 52.2 m -65.08 -75.89 0.08 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.253 -0.904 . . . . 0.0 109.498 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 283' ' ' ASN . . . . . . . . . . . . . 49.0 t30 -170.57 104.57 0.27 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.272 -0.893 . . . . 0.0 109.435 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 284' ' ' MET . . . . . . . . . . . . . 28.6 ttt -168.91 -75.89 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.246 -0.909 . . . . 0.0 109.509 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 285' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -68.99 174.53 4.41 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.175 -0.953 . . . . 0.0 109.483 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 286' ' ' SER . . . . . . . . . . . . . 21.0 p 54.29 -158.32 0.18 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.266 -0.897 . . . . 0.0 109.479 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 287' ' ' ASN . . . . . . . . . . . . . 31.2 m120 -157.19 -159.8 0.89 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.273 -0.892 . . . . 0.0 109.354 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 288' ' ' ASP . . . . . 0.44 ' N ' ' OD1' ' A' ' 288' ' ' ASP . 23.3 p-10 -170.51 -4.77 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.236 -0.915 . . . . 0.0 109.487 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 289' ' ' PHE . . . . . . . . . . . . . 66.5 t80 -66.76 -35.56 80.37 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.251 -0.905 . . . . 0.0 109.452 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 290' ' ' ASN . . . . . 0.479 ' ND2' ' OE2' ' A' ' 292' ' ' GLU . 4.1 t30 -169.43 -27.74 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.199 -0.938 . . . . 0.0 109.459 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 291' ' ' PHE . . . . . . . . . . . . . 56.9 t80 53.43 91.04 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.205 -0.934 . . . . 0.0 109.398 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 292' ' ' GLU . . . . . 0.479 ' OE2' ' ND2' ' A' ' 290' ' ' ASN . 13.3 pt-20 -160.74 -12.91 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.251 -0.906 . . . . 0.0 109.444 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 293' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -74.73 44.94 0.23 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.333 -0.855 . . . . 0.0 109.417 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 294' ' ' GLN . . . . . . . . . . . . . 36.3 mm-40 51.94 -134.79 1.58 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.311 -0.868 . . . . 0.0 109.546 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 295' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -65.72 -162.05 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.315 -0.866 . . . . 0.0 108.743 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 296' ' ' ASP . . . . . 0.479 ' CG ' ' H ' ' A' ' 297' ' ' GLU . 3.8 p-10 -164.8 -102.94 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.104 -0.998 . . . . 0.0 109.751 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 297' ' ' GLU . . . . . 0.479 ' H ' ' CG ' ' A' ' 296' ' ' ASP . 58.3 mm-40 52.76 -158.48 0.14 Allowed 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.274 -0.891 . . . . 0.0 109.52 -179.763 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 298' ' ' GLN . . . . . 0.48 ' CD ' ' N ' ' A' ' 298' ' ' GLN . 2.1 pm0 -164.99 -8.76 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.181 -0.949 . . . . 0.0 109.577 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 299' ' ' VAL . . . . . 0.508 ' C ' ' H ' ' A' ' 301' ' ' GLU . 12.7 m 34.4 68.96 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.502 2.156 0 CA-C-O 122.116 0.96 . . . . 0.0 111.254 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 300' ' ' SER . . . . . 0.512 ' O ' ' N ' ' A' ' 302' ' ' PHE . 5.1 m -75.83 29.9 0.11 Allowed 'General case' 0 C--N 1.293 -1.854 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 178.367 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 301' ' ' GLU . . . . . 0.508 ' H ' ' C ' ' A' ' 299' ' ' VAL . 37.1 tt0 -44.96 -22.73 0.1 Allowed 'General case' 0 N--CA 1.494 1.748 0 N-CA-C 107.209 -1.404 . . . . 0.0 107.209 178.603 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 302' ' ' PHE . . . . . 0.512 ' N ' ' O ' ' A' ' 300' ' ' SER . 63.0 t80 -75.47 -56.41 4.73 Favored 'General case' 0 C--N 1.303 -1.447 0 CA-C-N 114.821 -1.082 . . . . 0.0 109.314 178.55 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 303' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -76.85 -37.88 54.77 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.125 -0.985 . . . . 0.0 109.28 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 11.0 t -56.48 -30.97 63.56 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.471 -0.768 . . . . 0.0 110.793 -179.072 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . 54.0 mttp -95.14 -15.37 23.39 Favored 'General case' 0 N--CA 1.503 2.196 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 178.305 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 306' ' ' MET . . . . . . . . . . . . . 24.8 ttm -73.08 -22.8 60.52 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 107.347 -1.353 . . . . 0.0 107.347 177.202 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 307' ' ' ASN . . . . . 0.439 ' O ' ' N ' ' A' ' 310' ' ' CYS . 2.6 t30 -83.94 -38.24 21.29 Favored 'General case' 0 N--CA 1.491 1.591 0 N-CA-C 106.195 -1.78 . . . . 0.0 106.195 178.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 308' ' ' GLN . . . . . 0.529 ' O ' ' N ' ' A' ' 310' ' ' CYS . 70.8 tp60 -38.09 -44.2 0.81 Allowed 'General case' 0 N--CA 1.503 2.194 0 CA-C-N 115.791 -0.641 . . . . 0.0 109.329 178.468 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 309' ' ' VAL . . . . . 0.43 ' H ' HG23 ' A' ' 309' ' ' VAL . 10.8 t -45.75 -16.22 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.499 1.989 0 CA-C-O 122.024 0.916 . . . . 0.0 109.383 179.372 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 310' ' ' CYS . . . . . 0.529 ' N ' ' O ' ' A' ' 308' ' ' GLN . 63.1 m -94.1 -37.45 11.6 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 179.287 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 311' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 308' ' ' GLN . . . -61.49 120.82 24.04 Favored Glycine 0 N--CA 1.491 2.33 0 N-CA-C 109.676 -1.37 . . . . 0.0 109.676 -179.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 312' ' ' THR . . . . . . . . . . . . . 79.4 p -84.89 120.6 26.66 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.241 -1.152 . . . . 0.0 109.461 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 313' ' ' ARG . . . . . . . . . . . . . 37.4 ttm180 . . . . . 0 N--CA 1.492 1.643 0 CA-C-O 117.936 -1.03 . . . . 0.0 109.44 179.902 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 565' ' ' ASN . . . . . . . . . . . . . 11.3 m-20 . . . . . 0 N--CA 1.49 1.557 0 CA-C-O 121.309 0.576 . . . . 0.0 109.493 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 566' ' ' GLY . . . . . 0.418 ' O ' ' N ' ' B' ' 568' ' ' SER . . . 178.81 -117.85 0.58 Allowed Glycine 0 N--CA 1.49 2.264 0 N-CA-C 109.503 -1.439 . . . . 0.0 109.503 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 567' ' ' SER . . . . . . . . . . . . . 89.9 p -69.2 48.56 0.07 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.268 -1.137 . . . . 0.0 109.441 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 568' ' ' SER . . . . . 0.418 ' N ' ' O ' ' B' ' 566' ' ' GLY . 40.5 t -169.24 87.47 0.17 Allowed 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.24 -0.912 . . . . 0.0 109.412 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 569' ' ' LEU . . . . . 0.581 HD22 ' N ' ' B' ' 569' ' ' LEU . 3.5 mm? -70.66 163.9 26.11 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.245 -0.91 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 570' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -169.29 -29.92 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.292 -0.88 . . . . 0.0 109.402 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 571' ' ' ASN . . . . . 0.423 ' O ' ' O ' ' B' ' 572' ' ' ALA . 4.1 m-80 53.47 177.07 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.219 -0.926 . . . . 0.0 109.516 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 572' ' ' ALA . . . . . 0.423 ' O ' ' O ' ' B' ' 571' ' ' ASN . . . 56.07 167.18 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.172 -0.955 . . . . 0.0 109.608 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 573' ' ' ASP . . . . . 0.465 ' N ' ' OD1' ' B' ' 573' ' ' ASP . 25.4 p-10 -172.17 56.27 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.277 -0.889 . . . . 0.0 109.398 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 574' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -55.08 138.88 43.16 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.255 -0.903 . . . . 0.0 109.549 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 575' ' ' ILE . . . . . . . . . . . . . 8.3 pt -151.07 -39.21 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.759 0 O-C-N 121.254 -0.904 . . . . 0.0 109.5 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 576' ' ' ASN . . . . . 0.537 ' O ' ' N ' ' B' ' 578' ' ' GLY . 29.5 m120 -56.58 -176.21 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.118 -0.989 . . . . 0.0 109.404 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 577' ' ' ASN . . . . . . . . . . . . . 2.1 m120 63.93 -68.4 0.09 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.528 -0.733 . . . . 0.0 109.606 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 578' ' ' GLY . . . . . 0.537 ' N ' ' O ' ' B' ' 576' ' ' ASN . . . 79.24 -98.4 1.62 Allowed Glycine 0 N--CA 1.491 2.323 0 N-CA-C 109.577 -1.409 . . . . 0.0 109.577 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 579' ' ' ASN . . . . . 0.406 ' O ' ' OD1' ' B' ' 579' ' ' ASN . 49.3 t-20 -170.6 22.38 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.26 -1.141 . . . . 0.0 109.43 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 580' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -72.08 -41.55 67.23 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.208 -0.932 . . . . 0.0 109.416 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 581' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -170.69 131.24 0.87 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.247 -0.908 . . . . 0.0 109.495 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 582' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -59.0 134.47 57.01 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.303 -0.873 . . . . 0.0 109.389 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 583' ' ' ASN . . . . . 0.471 ' CG ' ' H ' ' B' ' 584' ' ' ASP . 12.3 t-20 -170.0 -174.61 1.82 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.269 -0.894 . . . . 0.0 109.353 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 584' ' ' ASP . . . . . 0.471 ' H ' ' CG ' ' B' ' 583' ' ' ASN . 6.2 p-10 -161.16 -107.22 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.226 -0.921 . . . . 0.0 109.376 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 585' ' ' ASN . . . . . 0.468 ' H ' ' CG ' ' B' ' 584' ' ' ASP . 19.8 p30 -172.9 56.82 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.234 -0.916 . . . . 0.0 109.481 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 586' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -56.54 169.12 0.49 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.322 -0.861 . . . . 0.0 109.451 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 587' ' ' VAL . . . . . . . . . . . . . 1.6 m -148.67 113.43 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 121.252 -0.905 . . . . 0.0 109.127 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 588' ' ' VAL . . . . . 0.485 ' O ' ' N ' ' B' ' 590' ' ' SER . 3.8 m -91.87 151.39 42.05 Favored Pre-proline 0 N--CA 1.494 1.726 0 O-C-N 121.218 -0.926 . . . . 0.0 108.818 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 589' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -57.43 83.29 0.04 OUTLIER 'Trans proline' 0 C--N 1.323 -0.816 0 C-N-CA 120.837 1.025 . . . . 0.0 109.484 179.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 590' ' ' SER . . . . . 0.517 ' O ' ' N ' ' B' ' 592' ' ' GLU . 1.5 t 175.24 95.46 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.223 -0.923 . . . . 0.0 109.368 -179.665 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 591' ' ' LYS . . . . . 0.46 ' O ' ' N ' ' B' ' 593' ' ' GLY . 13.5 ptpt -64.09 73.93 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.157 -0.965 . . . . 0.0 109.32 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 592' ' ' GLU . . . . . 0.517 ' N ' ' O ' ' B' ' 590' ' ' SER . 33.7 tt0 -56.02 90.4 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.194 -0.941 . . . . 0.0 109.273 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 593' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' B' ' 591' ' ' LYS . . . -169.41 75.71 0.11 Allowed Glycine 0 N--CA 1.489 2.203 0 N-CA-C 109.504 -1.438 . . . . 0.0 109.504 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 594' ' ' SER . . . . . 0.427 ' C ' HD22 ' B' ' 595' ' ' LEU . 11.5 p -76.64 165.32 24.92 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.224 -1.162 . . . . 0.0 110.17 -179.743 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 595' ' ' LEU . . . . . 0.746 HD22 ' N ' ' B' ' 595' ' ' LEU . 2.9 mm? -94.85 121.1 36.11 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 179.711 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 596' ' ' LEU . . . . . 0.533 HD21 HH21 ' B' ' 604' ' ' ARG . 0.0 OUTLIER -128.17 153.53 46.78 Favored 'General case' 0 N--CA 1.507 2.388 0 O-C-N 121.292 -0.88 . . . . 0.0 109.459 -179.804 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 597' ' ' ARG . . . . . 0.751 HH21 ' H ' ' B' ' 634' ' ' VAL . 0.0 OUTLIER -88.03 -144.7 0.14 Allowed 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.339 -0.851 . . . . 0.0 110.186 -179.472 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 598' ' ' CYS . . . . . 0.478 ' O ' ' N ' ' B' ' 600' ' ' GLU . 1.8 p -88.85 -87.19 0.17 Allowed 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.201 -0.937 . . . . 0.0 110.399 -178.659 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 599' ' ' SER . . . . . 0.45 ' O ' ' N ' ' B' ' 602' ' ' TRP . 29.2 t -45.42 -21.57 0.1 Allowed 'General case' 0 N--CA 1.498 1.934 0 CA-C-O 122.187 0.994 . . . . 0.0 108.758 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 600' ' ' GLU . . . . . 0.478 ' N ' ' O ' ' B' ' 598' ' ' CYS . 5.4 tm-20 -45.9 -42.59 12.88 Favored 'General case' 0 C--N 1.303 -1.442 0 CA-C-O 122.958 1.361 . . . . 0.0 108.49 178.761 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 601' ' ' ILE . . . . . 0.565 ' O ' ' N ' ' B' ' 604' ' ' ARG . 1.4 mp -68.69 -32.38 54.74 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.105 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 -178.301 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 602' ' ' TRP . . . . . 0.45 ' N ' ' O ' ' B' ' 599' ' ' SER . 60.4 t-105 -45.89 -37.28 6.13 Favored 'General case' 0 N--CA 1.495 1.825 0 N-CA-C 107.325 -1.361 . . . . 0.0 107.325 179.274 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 603' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -68.84 -41.58 78.3 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 107.564 -1.273 . . . . 0.0 107.564 177.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 604' ' ' ARG . . . . . 0.565 ' N ' ' O ' ' B' ' 601' ' ' ILE . 28.0 mmt180 -57.58 -40.41 78.94 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.326 -0.859 . . . . 0.0 109.12 178.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 605' ' ' ILE . . . . . . . . . . . . . 31.1 mt -68.92 -48.34 70.95 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 121.358 -0.839 . . . . 0.0 110.522 179.377 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 606' ' ' THR . . . . . . . . . . . . . 25.0 p -47.67 -41.47 22.5 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.764 -1.21 . . . . 0.0 109.994 -179.246 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 607' ' ' THR . . . . . 0.446 ' C ' ' HD1' ' B' ' 608' ' ' HIS . 43.8 p -78.16 13.79 1.37 Allowed 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.138 -0.976 . . . . 0.0 109.991 -179.765 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 608' ' ' HIS . . . . . 0.512 ' CD2' ' O ' ' B' ' 604' ' ' ARG . 3.5 m-70 -120.62 82.48 33.68 Favored Pre-proline 0 N--CA 1.501 2.116 0 O-C-N 121.383 -0.823 . . . . 0.0 110.383 -179.499 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 609' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_exo -57.09 -0.25 0.27 Allowed 'Trans proline' 0 C--N 1.321 -0.903 0 C-N-CA 121.482 1.455 . . . . 0.0 110.169 179.166 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 610' ' ' LYS . . . . . 0.499 ' H ' ' C ' ' B' ' 608' ' ' HIS . 45.2 mtpt -83.22 43.36 0.87 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.001 -1.062 . . . . 0.0 109.226 179.526 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 611' ' ' TYR . . . . . 0.554 ' O ' ' N ' ' B' ' 613' ' ' ASP . 0.4 OUTLIER -67.63 -10.14 49.45 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.376 -0.828 . . . . 0.0 108.913 179.914 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 612' ' ' SER . . . . . 0.425 ' O ' ' O ' ' B' ' 613' ' ' ASP . 50.7 m -55.67 78.75 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.522 -0.737 . . . . 0.0 110.468 -179.166 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 613' ' ' ASP . . . . . 0.554 ' N ' ' O ' ' B' ' 611' ' ' TYR . 10.3 t70 59.46 122.64 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.587 -0.695 . . . . 0.0 110.241 179.337 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 614' ' ' ILE . . . . . . . . . . . . . 19.5 tt -144.99 -0.23 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.881 0 O-C-N 121.329 -0.857 . . . . 0.0 109.692 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 615' ' ' ASP . . . . . . . . . . . . . 13.3 t0 64.59 83.73 0.16 Allowed 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.272 -0.893 . . . . 0.0 109.237 -179.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 616' ' ' VAL . . . . . 0.408 ' O ' ' SG ' ' B' ' 620' ' ' CYS . 20.2 t -80.86 -18.36 11.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.537 -0.727 . . . . 0.0 109.61 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 617' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -74.61 -37.91 62.72 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.204 -0.935 . . . . 0.0 110.087 -179.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 618' ' ' GLY . . . . . . . . . . . . . . . -70.63 -46.55 46.44 Favored Glycine 0 N--CA 1.49 2.262 0 C-N-CA 119.773 -1.203 . . . . 0.0 110.114 -179.587 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 619' ' ' LEU . . . . . 0.436 HD23 ' N ' ' B' ' 620' ' ' CYS . 0.0 OUTLIER -65.04 -19.38 65.97 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.043 -1.269 . . . . 0.0 108.526 -179.555 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 620' ' ' CYS . . . . . 0.436 ' N ' HD23 ' B' ' 619' ' ' LEU . 34.4 m -71.4 -44.41 64.98 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.942 -1.099 . . . . 0.0 109.234 179.372 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 36.1 t -82.42 -0.34 45.68 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.068 -1.02 . . . . 0.0 108.746 179.207 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 622' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -98.24 -45.35 6.22 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.482 -0.761 . . . . 0.0 109.185 178.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 623' ' ' LEU . . . . . . . . . . . . . 10.6 mp -86.04 -27.17 24.94 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 120.606 -1.309 . . . . 0.0 109.595 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 624' ' ' MET . . . . . . . . . . . . . 21.0 ttt -71.53 -32.24 67.94 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.285 -0.884 . . . . 0.0 112.514 -177.145 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 625' ' ' ALA . . . . . . . . . . . . . . . -101.88 -8.07 21.92 Favored 'General case' 0 N--CA 1.508 2.454 0 O-C-N 120.554 -1.341 . . . . 0.0 110.203 -179.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 626' ' ' LYS . . . . . . . . . . . . . 53.7 mttm -85.96 -4.64 59.21 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 105.871 -1.9 . . . . 0.0 105.871 176.148 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 627' ' ' ALA . . . . . . . . . . . . . . . -43.48 139.78 1.95 Allowed 'General case' 0 N--CA 1.489 1.515 0 CA-C-N 114.985 -1.007 . . . . 0.0 111.455 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 628' ' ' LYS . . . . . . . . . . . . . 50.3 tttp -113.88 92.12 3.87 Favored 'General case' 0 N--CA 1.497 1.876 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 178.52 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 629' ' ' CYS . . . . . . . . . . . . . 88.8 m -54.18 116.52 2.64 Favored 'General case' 0 N--CA 1.493 1.684 0 CA-C-O 122.353 1.073 . . . . 0.0 111.616 -178.138 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 630' ' ' SER . . . . . . . . . . . . . 40.1 t -142.84 159.87 41.41 Favored 'General case' 0 N--CA 1.493 1.721 0 N-CA-C 107.902 -1.147 . . . . 0.0 107.902 178.628 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 631' ' ' GLU . . . . . 0.515 ' C ' ' H ' ' B' ' 633' ' ' GLY . 6.9 pt-20 -63.86 -22.99 67.18 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.44 -1.413 . . . . 0.0 109.223 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 52.4 mtp180 -79.29 34.39 0.25 Allowed 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 177.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 633' ' ' GLY . . . . . 0.515 ' H ' ' C ' ' B' ' 631' ' ' GLU . . . 70.74 -170.35 46.56 Favored Glycine 0 N--CA 1.49 2.283 0 N-CA-C 107.487 -2.245 . . . . 0.0 107.487 -178.298 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 634' ' ' VAL . . . . . 0.751 ' H ' HH21 ' B' ' 597' ' ' ARG . 54.8 t -77.4 142.22 14.52 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.438 0 O-C-N 120.399 -1.648 . . . . 0.0 109.052 179.427 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 26.0 m -137.38 139.69 43.25 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.04 0 O-C-N 121.114 -0.991 . . . . 0.0 109.425 179.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 636' ' ' ILE . . . . . 0.465 ' O ' HD12 ' B' ' 596' ' ' LEU . 88.8 mt -128.7 152.9 37.49 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.022 0 O-C-N 121.62 -0.675 . . . . 0.0 109.362 -179.571 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 637' ' ' ASN . . . . . 0.67 HD22 ' N ' ' B' ' 637' ' ' ASN . 1.1 m120 -85.02 124.49 31.77 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.005 -1.059 . . . . 0.0 109.013 179.398 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 638' ' ' ALA . . . . . 0.417 ' O ' ' OE1' ' B' ' 642' ' ' GLN . . . -46.97 -11.82 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.794 -0.566 . . . . 0.0 110.647 -179.344 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 639' ' ' GLU . . . . . 0.508 ' N ' ' O ' ' B' ' 637' ' ' ASN . 52.4 tt0 -81.56 -20.42 39.98 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.955 -1.091 . . . . 0.0 110.333 -179.543 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 640' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -82.34 -56.81 3.67 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 120.356 -1.465 . . . . 0.0 107.665 178.04 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 641' ' ' VAL . . . . . 0.606 HG13 ' N ' ' B' ' 642' ' ' GLN . 6.3 p -52.35 -50.84 36.33 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.55 0 O-C-N 120.985 -1.072 . . . . 0.0 108.427 177.604 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 642' ' ' GLN . . . . . 0.606 ' N ' HG13 ' B' ' 641' ' ' VAL . 66.0 mt-30 -49.33 -36.15 20.42 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.932 -1.105 . . . . 0.0 108.623 179.503 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 643' ' ' LEU . . . . . . . . . . . . . 50.8 mt -78.6 -20.6 50.11 Favored 'General case' 0 N--CA 1.491 1.59 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 177.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 644' ' ' ALA . . . . . 0.534 ' N ' ' O ' ' B' ' 641' ' ' VAL . . . -86.25 -48.28 8.67 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.993 -1.067 . . . . 0.0 108.553 177.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 645' ' ' LEU . . . . . . . . . . . . . 84.5 mt -60.63 -25.33 66.22 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.016 -1.052 . . . . 0.0 108.928 179.057 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 646' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -93.96 -8.6 39.6 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.386 -0.821 . . . . 0.0 109.601 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 647' ' ' LYS . . . . . 0.527 ' C ' ' H ' ' B' ' 649' ' ' MET . 27.2 ttpp -74.44 -83.67 0.05 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.149 -0.969 . . . . 0.0 110.383 -179.204 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 648' ' ' HIS . . . . . . . . . . . . . 2.6 p80 -67.81 29.5 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.087 -1.008 . . . . 0.0 110.495 -178.365 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 649' ' ' MET . . . . . 0.527 ' H ' ' C ' ' B' ' 647' ' ' LYS . 4.8 tpt -91.26 103.8 16.42 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.911 -1.118 . . . . 0.0 109.31 -179.712 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 650' ' ' ASN . . . . . . . . . . . . . 61.5 t-20 . . . . . 0 N--CA 1.489 1.507 0 CA-C-O 117.928 -1.034 . . . . 0.0 109.475 179.994 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 279' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 . . . . . 0 N--CA 1.492 1.63 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . 15.9 mt -69.65 -163.01 0.05 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.275 -0.891 . . . . 0.0 109.476 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 281' ' ' ASP . . . . . . . . . . . . . 53.9 m-20 -158.77 136.35 10.18 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.312 -0.867 . . . . 0.0 109.326 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 282' ' ' SER . . . . . . . . . . . . . 48.9 m -155.46 -175.42 5.42 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.265 -0.897 . . . . 0.0 109.428 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 283' ' ' ASN . . . . . 0.433 HD22 ' N ' ' A' ' 283' ' ' ASN . 3.0 m120 -63.88 130.44 44.13 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.232 -0.917 . . . . 0.0 109.545 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 284' ' ' MET . . . . . . . . . . . . . 43.0 mtt -153.43 43.84 0.6 Allowed 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.197 -0.939 . . . . 0.0 109.277 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 285' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -51.88 105.81 0.12 Allowed 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.216 -0.927 . . . . 0.0 109.522 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 286' ' ' SER . . . . . . . . . . . . . 40.6 m -77.16 16.76 0.53 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.274 -0.891 . . . . 0.0 109.501 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 287' ' ' ASN . . . . . . . . . . . . . 35.4 p-10 -61.6 124.49 20.81 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.272 -0.893 . . . . 0.0 109.441 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 288' ' ' ASP . . . . . 0.444 ' C ' ' H ' ' A' ' 290' ' ' ASN . 62.0 m-20 -158.23 -76.45 0.08 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.223 -0.923 . . . . 0.0 109.521 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 289' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -73.6 40.61 0.11 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.299 -0.876 . . . . 0.0 109.384 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 290' ' ' ASN . . . . . 0.501 ' O ' ' N ' ' A' ' 292' ' ' GLU . 6.4 p-10 -167.32 -52.64 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.29 -0.881 . . . . 0.0 109.349 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 291' ' ' PHE . . . . . . . . . . . . . 16.7 t80 66.09 -42.69 0.38 Allowed 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.605 -0.684 . . . . 0.0 109.681 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 292' ' ' GLU . . . . . 0.501 ' N ' ' O ' ' A' ' 290' ' ' ASN . 7.9 tp10 -70.34 -57.7 4.55 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.105 -0.997 . . . . 0.0 109.386 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 293' ' ' ASN . . . . . 0.438 ' O ' ' N ' ' A' ' 295' ' ' PHE . 36.4 t-20 -64.36 77.28 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.206 -0.934 . . . . 0.0 109.443 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 294' ' ' GLN . . . . . 0.472 ' N ' ' O ' ' A' ' 292' ' ' GLU . 18.7 tt0 -70.09 59.56 0.17 Allowed 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.165 -0.96 . . . . 0.0 109.347 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 295' ' ' PHE . . . . . 0.438 ' N ' ' O ' ' A' ' 293' ' ' ASN . 59.2 t80 -170.59 95.42 0.22 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.242 -0.911 . . . . 0.0 109.44 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 296' ' ' ASP . . . . . 0.447 ' N ' ' OD1' ' A' ' 296' ' ' ASP . 15.9 p-10 -167.23 29.71 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.171 -0.956 . . . . 0.0 109.551 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 297' ' ' GLU . . . . . 0.54 ' CD ' ' H ' ' A' ' 297' ' ' GLU . 2.6 mp0 -56.41 -104.32 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.208 -0.932 . . . . 0.0 109.483 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 298' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -84.85 -11.09 56.39 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.254 -0.904 . . . . 0.0 109.728 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 299' ' ' VAL . . . . . 0.502 ' C ' ' H ' ' A' ' 301' ' ' GLU . 18.7 t 55.32 74.26 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 121.151 -0.968 . . . . 0.0 109.81 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 300' ' ' SER . . . . . 0.528 ' C ' ' N ' ' A' ' 302' ' ' PHE . 9.8 m -75.5 30.5 0.1 Allowed 'General case' 0 C--N 1.294 -1.832 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 178.705 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 301' ' ' GLU . . . . . 0.502 ' H ' ' C ' ' A' ' 299' ' ' VAL . 1.4 pp20? -45.4 -23.76 0.24 Allowed 'General case' 0 N--CA 1.495 1.797 0 N-CA-C 106.821 -1.548 . . . . 0.0 106.821 178.145 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 302' ' ' PHE . . . . . 0.528 ' N ' ' C ' ' A' ' 300' ' ' SER . 47.0 t80 -68.74 -65.34 0.71 Allowed 'General case' 0 C--N 1.302 -1.475 0 CA-C-N 114.363 -1.29 . . . . 0.0 109.274 178.451 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 303' ' ' CYS . . . . . . . . . . . . . 5.4 t -65.41 -35.25 80.38 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.18 -0.95 . . . . 0.0 109.632 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 7.0 t -52.59 -31.67 37.47 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.59 -0.694 . . . . 0.0 111.325 -178.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . 43.0 mtpt -99.85 -14.88 18.6 Favored 'General case' 0 N--CA 1.507 2.407 0 O-C-N 120.917 -1.115 . . . . 0.0 109.257 178.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 306' ' ' MET . . . . . 0.549 ' O ' HG12 ' A' ' 309' ' ' VAL . 31.1 mmm -73.23 -24.63 60.51 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 120.317 -1.489 . . . . 0.0 107.215 176.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 307' ' ' ASN . . . . . 0.418 ' O ' ' C ' ' A' ' 308' ' ' GLN . 35.5 t30 -85.15 -37.8 19.77 Favored 'General case' 0 N--CA 1.495 1.804 0 N-CA-C 106.467 -1.679 . . . . 0.0 106.467 178.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 308' ' ' GLN . . . . . 0.559 ' O ' ' N ' ' A' ' 310' ' ' CYS . 8.0 tt0 -38.38 -38.47 0.37 Allowed 'General case' 0 N--CA 1.504 2.237 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 178.541 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 309' ' ' VAL . . . . . 0.549 HG12 ' O ' ' A' ' 306' ' ' MET . 13.5 p -45.28 -14.17 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.501 2.08 0 O-C-N 121.716 -0.615 . . . . 0.0 109.392 178.559 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 310' ' ' CYS . . . . . 0.559 ' N ' ' O ' ' A' ' 308' ' ' GLN . 3.0 t -81.95 -61.56 1.88 Allowed 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.238 -0.914 . . . . 0.0 109.761 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 311' ' ' GLY . . . . . . . . . . . . . . . -74.91 117.48 5.38 Favored Glycine 0 N--CA 1.49 2.271 0 N-CA-C 109.882 -1.287 . . . . 0.0 109.882 -179.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 312' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -92.93 125.29 37.45 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.304 -1.116 . . . . 0.0 109.408 179.758 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 313' ' ' ARG . . . . . 0.56 HH11 ' CG ' ' A' ' 313' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.492 1.646 0 CA-C-O 118.036 -0.983 . . . . 0.0 109.42 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 565' ' ' ASN . . . . . . . . . . . . . 51.7 t30 . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 566' ' ' GLY . . . . . . . . . . . . . . . 178.28 -26.64 0.06 OUTLIER Glycine 0 N--CA 1.491 2.344 0 N-CA-C 109.432 -1.467 . . . . 0.0 109.432 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 567' ' ' SER . . . . . . . . . . . . . 89.9 p -64.07 117.36 6.97 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.29 -1.123 . . . . 0.0 109.469 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 568' ' ' SER . . . . . . . . . . . . . 51.6 m -68.47 -14.22 62.85 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.331 -0.856 . . . . 0.0 109.469 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 569' ' ' LEU . . . . . . . . . . . . . 15.7 mt -71.58 118.99 15.09 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.299 -0.876 . . . . 0.0 109.479 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 570' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -170.23 5.92 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.233 -0.917 . . . . 0.0 109.482 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 571' ' ' ASN . . . . . . . . . . . . . 35.0 t-20 -63.04 94.21 0.07 Allowed 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.272 -0.893 . . . . 0.0 109.487 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -69.91 123.4 21.4 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.267 -0.896 . . . . 0.0 109.462 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 573' ' ' ASP . . . . . . . . . . . . . 38.2 t70 53.16 97.58 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.296 -0.877 . . . . 0.0 109.541 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 574' ' ' LYS . . . . . . . . . . . . . 59.8 mttp -65.09 104.95 0.96 Allowed 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.256 -0.902 . . . . 0.0 109.374 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 575' ' ' ILE . . . . . . . . . . . . . 8.4 pt -63.19 -116.68 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.219 -0.926 . . . . 0.0 109.498 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 576' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -58.6 119.77 7.66 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.099 -1.001 . . . . 0.0 109.439 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 577' ' ' ASN . . . . . 0.481 ' H ' ' ND2' ' B' ' 577' ' ' ASN . 3.4 p30 -75.64 -175.61 2.96 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.294 -0.879 . . . . 0.0 109.439 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 578' ' ' GLY . . . . . . . . . . . . . . . -76.68 -33.03 48.41 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.522 -1.431 . . . . 0.0 109.522 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 579' ' ' ASN . . . . . . . . . . . . . 45.8 t30 -164.42 120.84 1.57 Allowed 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.227 -1.161 . . . . 0.0 109.52 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 580' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.2 -96.74 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.25 -0.906 . . . . 0.0 109.484 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 581' ' ' ASN . . . . . . . . . . . . . 15.3 p30 -172.07 -163.44 0.25 Allowed 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.289 -0.882 . . . . 0.0 109.446 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 582' ' ' ASP . . . . . 0.45 ' CG ' ' H ' ' B' ' 583' ' ' ASN . 35.1 t70 53.96 -177.89 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.283 -0.885 . . . . 0.0 109.505 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 583' ' ' ASN . . . . . 0.45 ' H ' ' CG ' ' B' ' 582' ' ' ASP . 67.1 m-80 51.49 -106.82 0.28 Allowed 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.264 -0.898 . . . . 0.0 109.455 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 584' ' ' ASP . . . . . . . . . . . . . 21.1 p30 -67.63 169.37 9.5 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.184 -0.947 . . . . 0.0 109.466 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 585' ' ' ASN . . . . . . . . . . . . . 72.4 m-80 -158.06 -12.07 0.08 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.299 -0.875 . . . . 0.0 109.361 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 586' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -60.96 -172.1 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.245 -0.91 . . . . 0.0 109.46 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 587' ' ' VAL . . . . . . . . . . . . . 33.6 m -142.57 -147.25 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.252 -0.905 . . . . 0.0 109.175 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 588' ' ' VAL . . . . . 0.567 ' H ' ' HD2' ' B' ' 589' ' ' PRO . 5.9 t -147.14 -61.22 0.02 OUTLIER Pre-proline 0 N--CA 1.495 1.818 0 O-C-N 121.211 -0.931 . . . . 0.0 109.847 179.576 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 589' ' ' PRO . . . . . 0.567 ' HD2' ' H ' ' B' ' 588' ' ' VAL . 2.1 Cg_endo -50.98 91.92 0.03 OUTLIER 'Trans proline' 0 C--O 1.214 -0.692 0 N-CA-C 109.674 -0.933 . . . . 0.0 109.674 178.716 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 590' ' ' SER . . . . . 0.47 ' N ' ' O ' ' B' ' 588' ' ' VAL . 29.5 p -171.79 72.24 0.05 OUTLIER 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.156 -0.965 . . . . 0.0 109.559 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 591' ' ' LYS . . . . . . . . . . . . . 30.5 tptt 58.68 -123.03 1.32 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.214 -0.929 . . . . 0.0 109.187 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 592' ' ' GLU . . . . . 0.473 ' O ' ' ND2' ' B' ' 637' ' ' ASN . 5.6 pt-20 -176.18 69.34 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.706 -1.247 . . . . 0.0 109.371 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 593' ' ' GLY . . . . . . . . . . . . . . . 74.21 142.01 0.7 Allowed Glycine 0 N--CA 1.49 2.26 0 N-CA-C 109.326 -1.51 . . . . 0.0 109.326 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 594' ' ' SER . . . . . 0.411 ' C ' HD22 ' B' ' 595' ' ' LEU . 68.5 m -82.97 166.03 19.19 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.099 -1.236 . . . . 0.0 110.242 -179.797 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 595' ' ' LEU . . . . . 0.591 HD22 ' N ' ' B' ' 595' ' ' LEU . 3.9 mm? -96.01 125.77 40.79 Favored 'General case' 0 C--N 1.301 -1.507 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 179.699 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 596' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -128.34 152.73 47.81 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.365 -0.835 . . . . 0.0 109.558 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 597' ' ' ARG . . . . . . . . . . . . . 27.9 mtp180 -97.75 -138.03 0.28 Allowed 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.373 -0.829 . . . . 0.0 110.426 -178.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 598' ' ' CYS . . . . . 0.412 ' C ' ' N ' ' B' ' 600' ' ' GLU . 2.6 p -86.91 -93.71 0.09 Allowed 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.447 -0.783 . . . . 0.0 110.367 -179.014 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 599' ' ' SER . . . . . 0.424 ' O ' ' N ' ' B' ' 602' ' ' TRP . 15.2 m -44.91 -25.34 0.3 Allowed 'General case' 0 N--CA 1.497 1.923 0 CA-C-O 122.175 0.988 . . . . 0.0 109.003 -179.651 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 600' ' ' GLU . . . . . 0.415 ' O ' ' OE1' ' B' ' 600' ' ' GLU . 2.0 tm-20 -45.16 -41.81 8.47 Favored 'General case' 0 C--N 1.303 -1.434 0 CA-C-O 122.672 1.225 . . . . 0.0 108.697 178.746 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 601' ' ' ILE . . . . . 0.537 ' O ' ' N ' ' B' ' 604' ' ' ARG . 2.5 mt -70.67 -32.8 50.58 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.301 0 CA-C-N 115.474 -0.785 . . . . 0.0 108.931 -177.663 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 602' ' ' TRP . . . . . 0.424 ' N ' ' O ' ' B' ' 599' ' ' SER . 61.6 t-105 -45.33 -36.83 4.39 Favored 'General case' 0 N--CA 1.492 1.658 0 N-CA-C 107.395 -1.335 . . . . 0.0 107.395 179.397 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 603' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -70.38 -43.43 70.12 Favored 'General case' 0 C--N 1.303 -1.443 0 N-CA-C 107.798 -1.186 . . . . 0.0 107.798 177.621 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 604' ' ' ARG . . . . . 0.621 HH21 HE22 ' B' ' 642' ' ' GLN . 0.2 OUTLIER -56.14 -30.19 61.8 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.248 -0.908 . . . . 0.0 108.839 179.063 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 605' ' ' ILE . . . . . . . . . . . . . 97.2 mt -79.93 -45.25 22.88 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 O-C-N 121.261 -0.899 . . . . 0.0 110.102 179.487 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 606' ' ' THR . . . . . 0.515 ' C ' ' H ' ' B' ' 608' ' ' HIS . 30.5 p -54.19 -44.8 71.88 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.943 -1.098 . . . . 0.0 110.188 -179.253 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 607' ' ' THR . . . . . . . . . . . . . 2.4 t -57.53 2.41 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.839 -1.163 . . . . 0.0 110.394 -179.336 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 608' ' ' HIS . . . . . 0.524 ' O ' ' N ' ' B' ' 610' ' ' LYS . 63.9 t-80 -83.16 129.17 62.03 Favored Pre-proline 0 N--CA 1.491 1.615 0 N-CA-C 106.978 -1.49 . . . . 0.0 106.978 178.265 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 609' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -58.87 83.81 0.05 OUTLIER 'Trans proline' 0 C--N 1.323 -0.788 0 N-CA-C 109.045 -1.175 . . . . 0.0 109.045 -178.436 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 610' ' ' LYS . . . . . 0.524 ' N ' ' O ' ' B' ' 608' ' ' HIS . 74.3 tttt 65.19 133.29 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.514 -0.741 . . . . 0.0 109.343 -179.118 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 611' ' ' TYR . . . . . 0.437 ' O ' ' O ' ' B' ' 610' ' ' LYS . 29.5 m-85 -51.63 -176.01 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.365 0 O-C-N 121.349 -0.845 . . . . 0.0 109.185 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 612' ' ' SER . . . . . . . . . . . . . 29.8 t -157.12 -75.73 0.09 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.092 -1.005 . . . . 0.0 109.024 179.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 613' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -160.51 70.9 0.42 Allowed 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.262 -0.899 . . . . 0.0 109.896 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 614' ' ' ILE . . . . . 0.664 HG22 ' N ' ' B' ' 615' ' ' ASP . 76.6 mt -108.32 174.12 1.69 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.028 0 O-C-N 121.378 -0.826 . . . . 0.0 109.677 -179.553 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 615' ' ' ASP . . . . . 0.664 ' N ' HG22 ' B' ' 614' ' ' ILE . 1.1 m-20 -127.76 117.86 22.67 Favored 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 179.421 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 616' ' ' VAL . . . . . . . . . . . . . 58.9 t -82.22 -16.27 11.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.48 -0.762 . . . . 0.0 109.522 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 617' ' ' ASP . . . . . 0.494 ' OD1' ' N ' ' B' ' 618' ' ' GLY . 1.7 p30 -66.29 -46.24 77.67 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.26 -0.9 . . . . 0.0 110.783 -178.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 618' ' ' GLY . . . . . 0.494 ' N ' ' OD1' ' B' ' 617' ' ' ASP . . . -66.63 -32.91 82.86 Favored Glycine 0 N--CA 1.492 2.391 0 C-N-CA 119.773 -1.204 . . . . 0.0 110.301 -179.132 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 619' ' ' LEU . . . . . . . . . . . . . 4.3 mt -68.15 -19.78 64.84 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 120.899 -1.353 . . . . 0.0 108.184 179.53 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 620' ' ' CYS . . . . . . . . . . . . . 15.7 t -73.85 -52.52 12.75 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.539 -0.726 . . . . 0.0 110.815 -179.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 86.3 p -83.03 -1.78 53.57 Favored 'General case' 0 N--CA 1.503 2.178 0 O-C-N 120.642 -1.287 . . . . 0.0 110.262 -179.252 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 622' ' ' GLU . . . . . 0.426 ' OE1' ' O ' ' B' ' 618' ' ' GLY . 47.2 mt-10 -98.07 -48.14 5.24 Favored 'General case' 0 C--N 1.297 -1.705 0 O-C-N 121.275 -0.891 . . . . 0.0 109.428 178.584 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 623' ' ' LEU . . . . . 0.426 HD12 ' N ' ' B' ' 623' ' ' LEU . 7.3 mp -87.38 -19.32 28.28 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 120.861 -1.149 . . . . 0.0 110.742 -179.444 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 624' ' ' MET . . . . . 0.45 ' SD ' ' C ' ' B' ' 624' ' ' MET . 2.1 tmt? -69.49 -28.0 65.69 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 120.617 -1.302 . . . . 0.0 111.107 -178.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 625' ' ' ALA . . . . . 0.416 ' C ' ' N ' ' B' ' 627' ' ' ALA . . . -104.48 -39.01 6.57 Favored 'General case' 0 N--CA 1.503 2.211 0 O-C-N 120.863 -1.148 . . . . 0.0 108.865 179.308 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 626' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -61.02 -15.35 31.09 Favored 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 106.48 -1.674 . . . . 0.0 106.48 177.359 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 627' ' ' ALA . . . . . 0.416 ' N ' ' C ' ' B' ' 625' ' ' ALA . . . -47.76 147.65 1.84 Allowed 'General case' 0 N--CA 1.49 1.545 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.652 -179.557 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 628' ' ' LYS . . . . . . . . . . . . . 58.8 tttp -121.71 87.15 2.7 Favored 'General case' 0 N--CA 1.496 1.848 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 178.35 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 629' ' ' CYS . . . . . . . . . . . . . 16.6 t -50.55 133.11 25.5 Favored 'General case' 0 N--CA 1.495 1.78 0 CA-C-O 122.349 1.071 . . . . 0.0 111.931 -177.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 630' ' ' SER . . . . . . . . . . . . . 8.5 t -142.88 160.03 41.11 Favored 'General case' 0 N--CA 1.493 1.676 0 N-CA-C 107.481 -1.303 . . . . 0.0 107.481 178.223 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 631' ' ' GLU . . . . . . . . . . . . . 48.5 tt0 -65.8 -20.61 66.32 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.342 -1.474 . . . . 0.0 109.891 -179.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 11.1 tpt180 -82.66 -15.9 50.3 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.916 -1.115 . . . . 0.0 108.051 178.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 633' ' ' GLY . . . . . . . . . . . . . . . 132.67 -175.07 20.17 Favored Glycine 0 N--CA 1.497 2.764 0 N-CA-C 108.508 -1.837 . . . . 0.0 108.508 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 634' ' ' VAL . . . . . 0.47 ' H ' HG12 ' B' ' 634' ' ' VAL . 1.4 p -76.8 145.05 10.88 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.347 0 O-C-N 120.819 -1.401 . . . . 0.0 109.461 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 36.0 m -141.04 138.71 34.1 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.835 0 O-C-N 121.146 -0.971 . . . . 0.0 108.879 178.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 636' ' ' ILE . . . . . . . . . . . . . 95.2 mt -133.25 154.36 39.1 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.004 0 O-C-N 121.527 -0.733 . . . . 0.0 109.447 -179.478 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 637' ' ' ASN . . . . . 0.489 ' O ' ' N ' ' B' ' 639' ' ' GLU . 9.4 t-20 -84.36 136.25 33.96 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.267 -0.896 . . . . 0.0 109.584 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -49.18 -9.47 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.614 -0.679 . . . . 0.0 110.509 179.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 639' ' ' GLU . . . . . 0.489 ' N ' ' O ' ' B' ' 637' ' ' ASN . 51.1 tt0 -80.94 -23.94 38.51 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.762 -1.211 . . . . 0.0 111.242 -179.321 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 640' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -85.72 -59.82 2.2 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 120.137 -1.602 . . . . 0.0 108.192 178.148 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 641' ' ' VAL . . . . . 0.663 HG13 ' N ' ' B' ' 642' ' ' GLN . 11.8 p -48.6 -52.49 8.78 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 120.957 -1.089 . . . . 0.0 108.747 178.085 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 642' ' ' GLN . . . . . 0.663 ' N ' HG13 ' B' ' 641' ' ' VAL . 8.3 tp-100 -54.84 -33.39 61.64 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.98 -1.075 . . . . 0.0 109.073 179.51 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 643' ' ' LEU . . . . . . . . . . . . . 9.6 tp -77.82 -22.74 49.54 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.239 -0.913 . . . . 0.0 108.588 178.348 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 644' ' ' ALA . . . . . . . . . . . . . . . -87.58 -53.37 4.83 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.049 -1.032 . . . . 0.0 108.655 178.144 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 645' ' ' LEU . . . . . . . . . . . . . 75.1 mt -55.88 -26.82 48.95 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.19 -0.944 . . . . 0.0 109.608 179.411 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 646' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -93.82 -7.38 43.5 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.0 -1.062 . . . . 0.0 110.102 -179.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 647' ' ' LYS . . . . . . . . . . . . . 56.0 tttm -92.79 -12.75 30.43 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.046 -1.034 . . . . 0.0 110.02 -179.647 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 648' ' ' HIS . . . . . 0.404 ' NE2' ' CD ' ' B' ' 622' ' ' GLU . 5.0 m-70 -117.22 15.17 14.92 Favored 'General case' 0 N--CA 1.502 2.168 0 O-C-N 121.355 -0.84 . . . . 0.0 109.894 -179.5 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 649' ' ' MET . . . . . . . . . . . . . 18.5 ttm -96.77 102.87 14.73 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.226 -0.921 . . . . 0.0 109.615 -179.368 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 650' ' ' ASN . . . . . . . . . . . . . 30.4 m120 . . . . . 0 N--CA 1.49 1.553 0 CA-C-O 117.998 -1.001 . . . . 0.0 109.481 179.928 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 279' ' ' ASN . . . . . . . . . . . . . 46.8 t30 . . . . . 0 N--CA 1.491 1.614 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 280' ' ' LEU . . . . . 0.415 ' O ' ' O ' ' A' ' 281' ' ' ASP . 18.5 tp -69.08 120.72 15.37 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.254 -0.903 . . . . 0.0 109.309 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 281' ' ' ASP . . . . . 0.415 ' O ' ' O ' ' A' ' 280' ' ' LEU . 18.8 t0 56.16 104.33 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.232 -0.918 . . . . 0.0 109.483 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 282' ' ' SER . . . . . . . . . . . . . 40.6 t -51.74 177.31 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.229 -0.92 . . . . 0.0 109.416 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 283' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 51.65 85.82 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.21 -0.931 . . . . 0.0 109.416 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 284' ' ' MET . . . . . . . . . . . . . 45.7 mmm -68.7 135.06 50.73 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.279 -0.888 . . . . 0.0 109.455 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 285' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -71.3 -158.61 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.223 -0.923 . . . . 0.0 109.495 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 286' ' ' SER . . . . . . . . . . . . . 51.4 p -51.13 129.07 23.45 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.236 -0.915 . . . . 0.0 109.477 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 287' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -76.22 97.98 4.31 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.226 -0.921 . . . . 0.0 109.464 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 288' ' ' ASP . . . . . 0.445 ' N ' ' OD1' ' A' ' 288' ' ' ASP . 27.0 p-10 -166.3 160.94 16.31 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.265 -0.897 . . . . 0.0 109.433 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 289' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -70.88 -32.59 69.62 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.3 -0.875 . . . . 0.0 109.504 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 290' ' ' ASN . . . . . 0.405 ' CG ' ' H ' ' A' ' 291' ' ' PHE . 10.8 t-20 -67.44 -156.96 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.277 -0.889 . . . . 0.0 109.39 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 291' ' ' PHE . . . . . 0.516 ' O ' ' CD2' ' A' ' 291' ' ' PHE . 87.0 t80 -170.22 16.15 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.21 -0.931 . . . . 0.0 109.462 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 292' ' ' GLU . . . . . 0.423 ' O ' ' O ' ' A' ' 293' ' ' ASN . 11.8 pt-20 -78.56 -20.78 49.83 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.258 -0.901 . . . . 0.0 109.551 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 293' ' ' ASN . . . . . 0.423 ' O ' ' O ' ' A' ' 292' ' ' GLU . 6.1 m120 52.08 97.31 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.324 -0.86 . . . . 0.0 109.222 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 294' ' ' GLN . . . . . . . . . . . . . 51.9 tp60 -71.93 -51.05 23.99 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.245 -0.909 . . . . 0.0 109.596 -179.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 295' ' ' PHE . . . . . 0.516 ' CD2' ' O ' ' A' ' 295' ' ' PHE . 77.1 t80 -167.14 34.0 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.515 -0.741 . . . . 0.0 109.317 -179.737 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 296' ' ' ASP . . . . . 0.519 ' O ' ' N ' ' A' ' 298' ' ' GLN . 21.6 t70 -72.86 -103.38 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.282 -0.886 . . . . 0.0 109.5 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 297' ' ' GLU . . . . . 0.472 ' N ' ' OD2' ' A' ' 296' ' ' ASP . 8.4 pt-20 33.87 31.43 0.01 OUTLIER 'General case' 0 N--CA 1.503 2.177 0 CA-C-O 121.291 0.567 . . . . 0.0 110.93 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 298' ' ' GLN . . . . . 0.519 ' N ' ' O ' ' A' ' 296' ' ' ASP . 26.9 mt-30 -151.61 -36.42 0.13 Allowed 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.344 -0.847 . . . . 0.0 109.028 179.678 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 299' ' ' VAL . . . . . 0.434 ' O ' ' O ' ' A' ' 298' ' ' GLN . 3.7 m 34.9 97.06 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.499 1.989 0 CA-C-O 122.357 1.075 . . . . 0.0 111.077 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 300' ' ' SER . . . . . 0.56 ' C ' ' N ' ' A' ' 302' ' ' PHE . 2.4 m 166.67 22.86 0.0 OUTLIER 'General case' 0 C--N 1.294 -1.814 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.119 178.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 301' ' ' GLU . . . . . 0.612 ' CD ' ' H ' ' A' ' 301' ' ' GLU . 11.5 mp0 -49.28 -19.81 0.55 Allowed 'General case' 0 N--CA 1.493 1.675 0 N-CA-C 105.964 -1.865 . . . . 0.0 105.964 177.616 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 302' ' ' PHE . . . . . 0.56 ' N ' ' C ' ' A' ' 300' ' ' SER . 5.3 t80 -72.94 -64.78 0.9 Allowed 'General case' 0 C--N 1.306 -1.32 0 CA-C-N 114.263 -1.335 . . . . 0.0 109.377 178.299 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 303' ' ' CYS . . . . . . . . . . . . . 9.7 m -63.25 -47.55 81.96 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.238 -0.914 . . . . 0.0 109.993 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 34.5 t -49.23 -32.67 11.05 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.348 -0.845 . . . . 0.0 110.949 -179.125 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . 11.0 mptt -100.33 -13.46 18.79 Favored 'General case' 0 N--CA 1.503 2.194 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 178.414 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 306' ' ' MET . . . . . 0.576 ' O ' HG22 ' A' ' 309' ' ' VAL . 5.4 ttt -73.79 -29.13 62.01 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 120.487 -1.383 . . . . 0.0 107.523 177.292 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 307' ' ' ASN . . . . . 0.442 ' O ' ' C ' ' A' ' 308' ' ' GLN . 33.2 m120 -82.38 -40.12 21.76 Favored 'General case' 0 N--CA 1.492 1.625 0 N-CA-C 106.299 -1.741 . . . . 0.0 106.299 179.46 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 308' ' ' GLN . . . . . 0.522 ' O ' ' N ' ' A' ' 310' ' ' CYS . 5.8 tm0? -36.75 -39.71 0.23 Allowed 'General case' 0 N--CA 1.502 2.14 0 CA-C-O 121.54 0.686 . . . . 0.0 109.25 178.816 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 309' ' ' VAL . . . . . 0.576 HG22 ' O ' ' A' ' 306' ' ' MET . 17.5 m -44.66 -17.67 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.499 2.007 0 CA-C-O 121.553 0.692 . . . . 0.0 109.292 178.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 310' ' ' CYS . . . . . 0.522 ' N ' ' O ' ' A' ' 308' ' ' GLN . 7.4 m -93.21 25.94 3.1 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.546 -0.722 . . . . 0.0 109.211 179.68 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 311' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 308' ' ' GLN . . . -71.77 121.13 8.47 Favored Glycine 0 N--CA 1.49 2.3 0 N-CA-C 109.526 -1.43 . . . . 0.0 109.526 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 312' ' ' THR . . . . . . . . . . . . . 41.6 m -129.76 102.68 6.43 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.581 -0.952 . . . . 0.0 109.359 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 313' ' ' ARG . . . . . . . . . . . . . 41.4 ttp180 . . . . . 0 N--CA 1.49 1.565 0 CA-C-O 117.984 -1.007 . . . . 0.0 109.514 -179.968 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 565' ' ' ASN . . . . . . . . . . . . . 5.9 p30 . . . . . 0 N--CA 1.491 1.611 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 566' ' ' GLY . . . . . . . . . . . . . . . 65.74 178.6 8.05 Favored Glycine 0 N--CA 1.49 2.3 0 N-CA-C 109.557 -1.417 . . . . 0.0 109.557 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 567' ' ' SER . . . . . . . . . . . . . 88.3 p -63.7 -40.34 96.56 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.229 -1.159 . . . . 0.0 109.443 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 568' ' ' SER . . . . . . . . . . . . . 9.9 t 55.01 48.54 19.61 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.241 -0.912 . . . . 0.0 109.654 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 569' ' ' LEU . . . . . . . . . . . . . 35.1 mt -70.82 90.2 0.79 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.163 -0.961 . . . . 0.0 109.39 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 570' ' ' GLN . . . . . . . . . . . . . 60.6 mm-40 52.06 -140.58 0.89 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.307 -0.871 . . . . 0.0 109.464 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 571' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -66.87 131.91 46.9 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.346 -0.846 . . . . 0.0 109.482 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 572' ' ' ALA . . . . . 0.527 ' O ' ' N ' ' B' ' 574' ' ' LYS . . . -166.94 -101.64 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.284 -0.885 . . . . 0.0 109.45 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 573' ' ' ASP . . . . . . . . . . . . . 12.9 t70 61.49 -73.17 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.497 -0.752 . . . . 0.0 109.789 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 574' ' ' LYS . . . . . 0.527 ' N ' ' O ' ' B' ' 572' ' ' ALA . 95.3 mttt -47.03 -55.83 7.53 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.205 -0.934 . . . . 0.0 109.762 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 575' ' ' ILE . . . . . . . . . . . . . 91.2 mt 51.83 -88.91 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.397 -0.814 . . . . 0.0 109.512 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 576' ' ' ASN . . . . . 0.523 ' N ' ' O ' ' B' ' 574' ' ' LYS . 15.2 m120 -78.26 -98.21 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.246 -0.909 . . . . 0.0 109.395 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 577' ' ' ASN . . . . . 0.641 HD22 ' N ' ' B' ' 577' ' ' ASN . 1.1 m120 50.59 -103.0 0.12 Allowed 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.293 -0.88 . . . . 0.0 109.548 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 578' ' ' GLY . . . . . 0.421 ' C ' ' H ' ' B' ' 580' ' ' ASP . . . 72.49 92.11 0.1 Allowed Glycine 0 N--CA 1.49 2.27 0 N-CA-C 109.592 -1.403 . . . . 0.0 109.592 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 579' ' ' ASN . . . . . 0.455 HD22 ' H ' ' B' ' 579' ' ' ASN . 2.8 p30 -66.03 2.35 1.14 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.304 -1.115 . . . . 0.0 109.543 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 580' ' ' ASP . . . . . 0.465 ' O ' ' N ' ' B' ' 582' ' ' ASP . 20.9 m-20 -63.33 166.53 6.25 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.193 -0.942 . . . . 0.0 109.51 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 581' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -69.36 60.55 0.13 Allowed 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.189 -0.945 . . . . 0.0 109.26 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 582' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' B' ' 580' ' ' ASP . 23.9 m-20 -74.48 -3.77 32.74 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.331 -0.856 . . . . 0.0 109.216 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 583' ' ' ASN . . . . . . . . . . . . . 36.4 m120 -65.36 -2.02 2.86 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.315 -0.865 . . . . 0.0 109.482 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 584' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -170.55 -160.0 0.2 Allowed 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.221 -0.924 . . . . 0.0 109.48 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 585' ' ' ASN . . . . . . . . . . . . . 56.0 t30 -164.03 102.96 0.88 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.172 -0.955 . . . . 0.0 109.409 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 586' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -157.63 104.51 1.98 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.277 -0.889 . . . . 0.0 109.322 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 587' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -149.02 -161.65 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.4 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 588' ' ' VAL . . . . . . . . . . . . . 3.9 m -151.45 69.28 8.01 Favored Pre-proline 0 N--CA 1.492 1.667 0 O-C-N 121.3 -0.875 . . . . 0.0 109.509 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 589' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -62.13 161.33 26.84 Favored 'Trans proline' 0 C--N 1.318 -1.045 0 C-N-CA 121.423 1.415 . . . . 0.0 109.772 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 590' ' ' SER . . . . . . . . . . . . . 46.0 t -67.16 131.52 45.95 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.314 -0.866 . . . . 0.0 109.519 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 591' ' ' LYS . . . . . . . . . . . . . 9.3 ptmm? -168.85 -156.96 0.17 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.233 -0.917 . . . . 0.0 109.384 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -64.06 118.77 8.98 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.309 -0.87 . . . . 0.0 109.497 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 593' ' ' GLY . . . . . . . . . . . . . . . -162.01 82.52 0.13 Allowed Glycine 0 N--CA 1.49 2.27 0 N-CA-C 109.37 -1.492 . . . . 0.0 109.37 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 594' ' ' SER . . . . . . . . . . . . . 67.1 m -83.33 165.6 19.17 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.17 -1.194 . . . . 0.0 110.054 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 595' ' ' LEU . . . . . 0.539 HD12 ' N ' ' B' ' 595' ' ' LEU . 7.4 mp -92.08 123.61 35.56 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 179.705 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 596' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -125.94 148.0 49.35 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.348 -0.845 . . . . 0.0 109.284 -179.659 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 597' ' ' ARG . . . . . 0.536 ' NH1' ' O ' ' B' ' 632' ' ' ARG . 2.4 tpp180 -89.67 -147.72 0.18 Allowed 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.434 -0.791 . . . . 0.0 111.025 -178.201 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 598' ' ' CYS . . . . . 0.497 ' O ' ' N ' ' B' ' 600' ' ' GLU . 9.3 t -79.83 -92.25 0.05 OUTLIER 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.637 -0.665 . . . . 0.0 110.73 -178.774 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 599' ' ' SER . . . . . 0.49 ' N ' ' SG ' ' B' ' 598' ' ' CYS . 13.7 m -44.79 -20.88 0.04 OUTLIER 'General case' 0 N--CA 1.497 1.91 0 CA-C-O 122.267 1.032 . . . . 0.0 108.971 -179.525 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 600' ' ' GLU . . . . . 0.497 ' N ' ' O ' ' B' ' 598' ' ' CYS . 4.5 tp10 -48.9 -45.93 41.99 Favored 'General case' 0 C--N 1.297 -1.675 0 CA-C-O 122.96 1.362 . . . . 0.0 108.603 179.079 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 601' ' ' ILE . . . . . 0.57 ' O ' ' N ' ' B' ' 604' ' ' ARG . 1.1 mp -64.18 -33.66 63.92 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.188 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 -178.073 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 602' ' ' TRP . . . . . . . . . . . . . 48.1 t-105 -46.99 -41.33 16.12 Favored 'General case' 0 N--CA 1.493 1.712 0 N-CA-C 107.56 -1.274 . . . . 0.0 107.56 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 603' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -60.19 -41.03 92.04 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 107.138 -1.43 . . . . 0.0 107.138 177.432 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 604' ' ' ARG . . . . . 0.57 ' N ' ' O ' ' B' ' 601' ' ' ILE . 12.3 tpt180 -55.94 -46.23 78.57 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.518 -0.739 . . . . 0.0 109.091 178.6 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 605' ' ' ILE . . . . . 0.538 ' N ' HD12 ' B' ' 605' ' ' ILE . 1.8 mp -62.33 -44.87 99.65 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.92 0 O-C-N 121.237 -0.914 . . . . 0.0 109.14 178.764 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 606' ' ' THR . . . . . 0.497 ' C ' ' H ' ' B' ' 608' ' ' HIS . 66.7 p -62.0 -54.07 46.75 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.904 -1.123 . . . . 0.0 110.195 -179.062 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 607' ' ' THR . . . . . . . . . . . . . 49.0 p -66.64 12.14 0.08 Allowed 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.933 -1.104 . . . . 0.0 110.554 -179.097 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 608' ' ' HIS . . . . . 0.497 ' H ' ' C ' ' B' ' 606' ' ' THR . 0.3 OUTLIER -117.4 83.96 17.42 Favored Pre-proline 0 N--CA 1.501 2.122 0 O-C-N 121.231 -0.918 . . . . 0.0 109.799 -179.699 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 609' ' ' PRO . . . . . 0.451 ' C ' ' H ' ' B' ' 611' ' ' TYR . 3.0 Cg_exo -59.16 -2.84 1.39 Allowed 'Trans proline' 0 C--N 1.322 -0.863 0 C-N-CA 121.278 1.319 . . . . 0.0 109.842 179.673 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 610' ' ' LYS . . . . . 0.431 ' H ' ' C ' ' B' ' 608' ' ' HIS . 35.2 mtmm -65.78 0.67 1.63 Allowed 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.171 -0.955 . . . . 0.0 108.965 179.642 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 611' ' ' TYR . . . . . 0.451 ' H ' ' C ' ' B' ' 609' ' ' PRO . 0.2 OUTLIER -49.44 132.1 20.66 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 179.747 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 612' ' ' SER . . . . . . . . . . . . . 11.5 p -175.64 -22.78 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.182 -0.949 . . . . 0.0 109.134 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 613' ' ' ASP . . . . . 0.482 ' O ' ' O ' ' B' ' 614' ' ' ILE . 11.9 t0 -170.09 -87.91 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.338 -0.851 . . . . 0.0 109.152 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 614' ' ' ILE . . . . . 0.642 HG22 ' N ' ' B' ' 615' ' ' ASP . 75.4 mt 50.9 169.72 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 O-C-N 121.463 -0.773 . . . . 0.0 110.899 178.794 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 615' ' ' ASP . . . . . 0.642 ' N ' HG22 ' B' ' 614' ' ' ILE . 40.9 t0 -127.15 116.44 20.65 Favored 'General case' 0 N--CA 1.493 1.7 0 N-CA-C 107.91 -1.144 . . . . 0.0 107.91 179.324 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 616' ' ' VAL . . . . . . . . . . . . . 16.1 m -79.81 -15.97 13.07 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 121.518 -0.739 . . . . 0.0 109.452 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 617' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -70.12 -40.32 74.92 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.287 -0.883 . . . . 0.0 109.839 -179.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 618' ' ' GLY . . . . . . . . . . . . . . . -68.14 -41.13 87.55 Favored Glycine 0 N--CA 1.49 2.245 0 N-CA-C 110.055 -1.218 . . . . 0.0 110.055 -179.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 619' ' ' LEU . . . . . . . . . . . . . 9.3 mt -59.64 -28.92 67.65 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.054 -1.262 . . . . 0.0 108.823 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 620' ' ' CYS . . . . . . . . . . . . . 44.7 t -67.57 -51.65 47.98 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.397 -0.814 . . . . 0.0 110.869 -178.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 89.9 p -81.11 -2.0 46.59 Favored 'General case' 0 N--CA 1.5 2.06 0 O-C-N 120.441 -1.412 . . . . 0.0 109.811 -179.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 622' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -100.47 -46.98 5.05 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.268 -0.895 . . . . 0.0 109.41 178.46 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 623' ' ' LEU . . . . . . . . . . . . . 6.3 mt -86.24 -18.35 32.33 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 120.571 -1.33 . . . . 0.0 110.216 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 624' ' ' MET . . . . . 0.508 ' O ' HG11 ' A' ' 309' ' ' VAL . 1.1 tmt? -76.88 -26.47 54.22 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 120.747 -1.221 . . . . 0.0 111.75 -178.231 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 625' ' ' ALA . . . . . 0.481 ' C ' ' H ' ' B' ' 627' ' ' ALA . . . -105.45 -30.14 9.77 Favored 'General case' 0 N--CA 1.507 2.39 0 O-C-N 120.717 -1.239 . . . . 0.0 109.967 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 626' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -62.26 -8.27 5.52 Favored 'General case' 0 N--CA 1.49 1.533 0 N-CA-C 106.028 -1.842 . . . . 0.0 106.028 177.089 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 627' ' ' ALA . . . . . 0.481 ' H ' ' C ' ' B' ' 625' ' ' ALA . . . -46.08 143.67 2.21 Favored 'General case' 0 N--CA 1.49 1.542 0 CA-C-N 115.305 -0.862 . . . . 0.0 111.936 -179.686 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 628' ' ' LYS . . . . . . . . . . . . . 66.1 mmtt -118.21 96.16 5.2 Favored 'General case' 0 N--CA 1.495 1.819 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 178.435 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 629' ' ' CYS . . . . . . . . . . . . . 18.3 t -56.48 120.46 7.73 Favored 'General case' 0 N--CA 1.494 1.765 0 CA-C-O 122.333 1.063 . . . . 0.0 111.83 -178.041 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 630' ' ' SER . . . . . . . . . . . . . 45.8 t -143.06 158.89 43.19 Favored 'General case' 0 N--CA 1.495 1.784 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 178.481 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 631' ' ' GLU . . . . . 0.548 ' H ' ' CD ' ' B' ' 631' ' ' GLU . 2.4 mp0 -64.17 -23.3 67.26 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.266 -1.521 . . . . 0.0 108.87 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 632' ' ' ARG . . . . . 0.587 ' CG ' HH11 ' B' ' 632' ' ' ARG . 0.1 OUTLIER -78.09 34.78 0.2 Allowed 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 107.279 -1.378 . . . . 0.0 107.279 177.649 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 633' ' ' GLY . . . . . 0.533 ' H ' ' C ' ' B' ' 631' ' ' GLU . . . 68.74 -169.25 42.15 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 107.219 -2.353 . . . . 0.0 107.219 -178.069 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 634' ' ' VAL . . . . . . . . . . . . . 7.5 p -77.31 142.21 14.54 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.535 0 O-C-N 120.22 -1.753 . . . . 0.0 109.612 179.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 17.1 m -136.97 138.38 45.94 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.958 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 178.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 636' ' ' ILE . . . . . 0.417 HG22 ' N ' ' B' ' 637' ' ' ASN . 97.6 mt -135.32 155.06 36.67 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.975 0 O-C-N 121.494 -0.754 . . . . 0.0 109.473 -179.138 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 637' ' ' ASN . . . . . 0.457 ' O ' ' N ' ' B' ' 639' ' ' GLU . 3.4 m-80 -88.59 139.0 30.92 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.157 -0.964 . . . . 0.0 110.292 -179.382 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -49.39 -9.9 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.704 -0.622 . . . . 0.0 110.893 179.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 639' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' B' ' 637' ' ' ASN . 7.3 tm-20 -76.26 -18.31 59.06 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.882 -1.136 . . . . 0.0 109.887 179.343 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 640' ' ' ASP . . . . . 0.525 ' N ' ' OD1' ' B' ' 640' ' ' ASP . 0.6 OUTLIER -86.93 -55.8 3.68 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 120.333 -1.479 . . . . 0.0 108.658 177.811 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 641' ' ' VAL . . . . . 0.416 HG12 ' H ' ' B' ' 641' ' ' VAL . 0.3 OUTLIER -53.93 -52.95 31.17 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 O-C-N 120.661 -1.274 . . . . 0.0 108.259 178.843 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 642' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -55.44 -34.16 64.22 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.088 -1.007 . . . . 0.0 109.194 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 643' ' ' LEU . . . . . . . . . . . . . 35.6 tp -82.06 -23.62 35.73 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.283 -0.886 . . . . 0.0 108.868 178.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 644' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' B' ' 640' ' ' ASP . . . -86.13 -40.01 16.12 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 120.927 -1.108 . . . . 0.0 108.956 178.643 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 645' ' ' LEU . . . . . 0.54 ' O ' ' N ' ' B' ' 647' ' ' LYS . 82.7 mt -70.61 -68.6 0.42 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.738 -1.226 . . . . 0.0 109.257 178.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 646' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -47.12 -9.95 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.187 -0.946 . . . . 0.0 110.744 -179.232 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 647' ' ' LYS . . . . . 0.54 ' N ' ' O ' ' B' ' 645' ' ' LEU . 52.9 tttp -88.85 -12.86 40.69 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 120.828 -1.17 . . . . 0.0 109.917 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 648' ' ' HIS . . . . . . . . . . . . . 62.4 m-70 -112.37 19.57 17.51 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 121.385 -0.822 . . . . 0.0 109.14 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 649' ' ' MET . . . . . . . . . . . . . 23.7 mmt -96.47 129.25 43.88 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.271 -0.893 . . . . 0.0 109.514 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 650' ' ' ASN . . . . . . . . . . . . . 30.3 m120 . . . . . 0 N--CA 1.491 1.59 0 CA-C-O 118.019 -0.991 . . . . 0.0 109.444 -179.942 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 279' ' ' ASN . . . . . 0.43 ' OD1' ' N ' ' A' ' 279' ' ' ASN . 1.7 m-20 . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 280' ' ' LEU . . . . . 0.439 HD12 ' N ' ' A' ' 281' ' ' ASP . 0.3 OUTLIER -163.66 9.92 0.05 Allowed 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.154 -0.967 . . . . 0.0 109.399 179.926 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 281' ' ' ASP . . . . . 0.439 ' N ' HD12 ' A' ' 280' ' ' LEU . 8.9 t0 59.27 116.93 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.388 -0.82 . . . . 0.0 109.764 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 282' ' ' SER . . . . . . . . . . . . . 37.7 m -164.22 129.61 2.86 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.214 -0.929 . . . . 0.0 109.398 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 283' ' ' ASN . . . . . . . . . . . . . 19.7 p-10 -169.47 -42.25 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.152 -0.968 . . . . 0.0 109.598 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 284' ' ' MET . . . . . . . . . . . . . 16.5 mmt -138.17 86.51 2.17 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.297 -0.877 . . . . 0.0 109.366 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 285' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -66.13 -162.05 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.239 -0.913 . . . . 0.0 109.395 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 286' ' ' SER . . . . . 0.481 ' O ' ' N ' ' A' ' 288' ' ' ASP . 1.3 m 64.93 -179.05 0.18 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.405 -0.809 . . . . 0.0 109.536 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 287' ' ' ASN . . . . . . . . . . . . . 45.8 t30 -56.27 87.48 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.275 -0.891 . . . . 0.0 109.664 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 288' ' ' ASP . . . . . 0.481 ' N ' ' O ' ' A' ' 286' ' ' SER . 43.7 p-10 -79.71 -153.68 0.08 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.224 -0.922 . . . . 0.0 109.338 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 289' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -171.13 -25.25 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.267 -0.896 . . . . 0.0 109.498 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 290' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -73.61 -20.26 60.65 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.29 -0.881 . . . . 0.0 109.601 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 291' ' ' PHE . . . . . 0.474 ' CD2' ' N ' ' A' ' 292' ' ' GLU . 80.8 t80 -76.75 -96.45 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.195 -0.941 . . . . 0.0 109.518 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 292' ' ' GLU . . . . . 0.474 ' N ' ' CD2' ' A' ' 291' ' ' PHE . 42.3 mt-10 -152.81 -50.9 0.1 Allowed 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.22 -0.925 . . . . 0.0 109.361 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 293' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -165.67 73.25 0.18 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.272 -0.893 . . . . 0.0 109.53 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 294' ' ' GLN . . . . . 0.52 ' O ' ' N ' ' A' ' 296' ' ' ASP . 16.6 mt-30 52.62 -118.45 1.33 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.2 -0.937 . . . . 0.0 109.476 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 295' ' ' PHE . . . . . . . . . . . . . 14.9 t80 66.44 -42.21 0.39 Allowed 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.508 -0.745 . . . . 0.0 109.684 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 296' ' ' ASP . . . . . 0.52 ' N ' ' O ' ' A' ' 294' ' ' GLN . 5.4 m-20 -52.62 -62.96 1.31 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.222 -0.924 . . . . 0.0 109.519 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 297' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -48.6 116.0 1.45 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.193 -0.942 . . . . 0.0 109.68 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 298' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -161.98 -36.48 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.29 -0.882 . . . . 0.0 109.34 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 299' ' ' VAL . . . . . 0.437 HG23 ' H ' ' A' ' 300' ' ' SER . 2.9 m -77.83 -108.44 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.248 -0.908 . . . . 0.0 109.209 179.766 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 300' ' ' SER . . . . . 0.532 ' O ' ' N ' ' A' ' 304' ' ' SER . 5.2 t 54.98 -133.28 1.7 Allowed 'General case' 0 C--N 1.298 -1.637 0 O-C-N 121.344 -0.847 . . . . 0.0 110.85 178.135 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 301' ' ' GLU . . . . . 0.431 ' OE2' ' O ' ' A' ' 301' ' ' GLU . 0.8 OUTLIER -45.13 -36.3 3.63 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.667 -0.646 . . . . 0.0 109.485 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 302' ' ' PHE . . . . . . . . . . . . . 31.4 t80 -61.26 -60.62 3.46 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.392 -0.818 . . . . 0.0 109.323 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 303' ' ' CYS . . . . . . . . . . . . . 7.0 t -79.53 -49.21 12.58 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.252 -0.905 . . . . 0.0 110.173 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 304' ' ' SER . . . . . 0.532 ' N ' ' O ' ' A' ' 300' ' ' SER . 31.3 t -52.89 -25.79 12.81 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.385 -0.822 . . . . 0.0 110.76 -179.124 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . 32.4 ttpt -98.57 -14.8 19.77 Favored 'General case' 0 N--CA 1.504 2.26 0 O-C-N 120.994 -1.066 . . . . 0.0 108.141 178.409 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 306' ' ' MET . . . . . . . . . . . . . 36.8 ttm -74.67 -21.41 59.43 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 176.708 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 307' ' ' ASN . . . . . 0.46 ' O ' ' N ' ' A' ' 310' ' ' CYS . 74.0 m-20 -84.62 -40.29 17.65 Favored 'General case' 0 N--CA 1.492 1.666 0 N-CA-C 106.033 -1.84 . . . . 0.0 106.033 178.296 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 308' ' ' GLN . . . . . 0.527 ' O ' ' N ' ' A' ' 311' ' ' GLY . 32.0 tp60 -38.39 -43.61 0.84 Allowed 'General case' 0 N--CA 1.502 2.139 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.375 178.22 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 309' ' ' VAL . . . . . 0.4 HG21 ' O ' ' B' ' 624' ' ' MET . 42.6 t -46.91 -16.36 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.893 0 CA-C-O 122.133 0.968 . . . . 0.0 108.951 179.497 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 310' ' ' CYS . . . . . 0.52 ' N ' ' O ' ' A' ' 308' ' ' GLN . 47.1 m -88.38 12.75 13.34 Favored 'General case' 0 C--N 1.302 -1.459 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.652 179.551 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 311' ' ' GLY . . . . . 0.527 ' N ' ' O ' ' A' ' 308' ' ' GLN . . . -84.49 118.45 4.73 Favored Glycine 0 N--CA 1.493 2.453 0 N-CA-C 109.411 -1.476 . . . . 0.0 109.411 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 312' ' ' THR . . . . . . . . . . . . . 29.5 m -77.15 127.09 32.03 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.216 -1.167 . . . . 0.0 109.444 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 313' ' ' ARG . . . . . . . . . . . . . 31.6 ptt180 . . . . . 0 N--CA 1.49 1.546 0 CA-C-O 118.036 -0.983 . . . . 0.0 109.498 -179.992 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 565' ' ' ASN . . . . . 0.406 ' C ' ' H ' ' B' ' 567' ' ' SER . 39.5 t-20 . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 566' ' ' GLY . . . . . . . . . . . . . . . 69.82 -5.77 5.73 Favored Glycine 0 N--CA 1.489 2.217 0 N-CA-C 109.588 -1.405 . . . . 0.0 109.588 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 567' ' ' SER . . . . . 0.406 ' H ' ' C ' ' B' ' 565' ' ' ASN . 13.3 t 53.21 -162.13 0.11 Allowed 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.264 -1.139 . . . . 0.0 109.439 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 568' ' ' SER . . . . . . . . . . . . . 78.3 p -73.25 -167.22 0.39 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.268 -0.895 . . . . 0.0 109.459 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 569' ' ' LEU . . . . . . . . . . . . . 55.7 tp -74.76 98.36 3.46 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.298 -0.876 . . . . 0.0 109.19 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 570' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -74.78 -14.62 60.72 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.269 -0.895 . . . . 0.0 109.548 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 571' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -58.06 -30.25 66.03 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.223 -0.923 . . . . 0.0 109.515 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -166.87 105.34 0.59 Allowed 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.185 -0.947 . . . . 0.0 109.462 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 573' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -169.69 68.77 0.06 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.225 -0.922 . . . . 0.0 109.469 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 574' ' ' LYS . . . . . 0.49 ' H ' HD12 ' B' ' 575' ' ' ILE . 77.7 tttt -167.19 45.14 0.05 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.209 -0.932 . . . . 0.0 109.343 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 575' ' ' ILE . . . . . 0.751 ' N ' HD12 ' B' ' 575' ' ' ILE . 1.7 mp -83.13 111.42 19.36 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.246 -0.909 . . . . 0.0 109.216 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 576' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -68.41 66.36 0.12 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.199 -0.938 . . . . 0.0 109.478 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 577' ' ' ASN . . . . . 0.469 ' N ' ' O ' ' B' ' 575' ' ' ILE . 15.7 p-10 -74.07 104.51 4.92 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.242 -0.912 . . . . 0.0 109.468 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 578' ' ' GLY . . . . . . . . . . . . . . . -178.74 71.19 0.07 OUTLIER Glycine 0 N--CA 1.49 2.248 0 N-CA-C 109.527 -1.429 . . . . 0.0 109.527 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 579' ' ' ASN . . . . . . . . . . . . . 46.2 t-20 52.59 92.57 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.264 -1.139 . . . . 0.0 109.485 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 580' ' ' ASP . . . . . 0.431 ' OD1' ' N ' ' B' ' 580' ' ' ASP . 18.1 p-10 -171.23 135.29 0.96 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.284 -0.885 . . . . 0.0 109.483 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 581' ' ' ASN . . . . . . . . . . . . . 63.3 t30 52.48 91.64 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.28 -0.887 . . . . 0.0 109.465 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 582' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -170.72 67.53 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.177 -0.952 . . . . 0.0 109.441 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 583' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -65.49 -34.7 78.88 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.31 -0.869 . . . . 0.0 109.449 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 584' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -61.14 153.77 24.95 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.276 -0.89 . . . . 0.0 109.455 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 585' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -62.67 -23.72 67.26 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.283 -0.886 . . . . 0.0 109.471 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 586' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -70.48 159.03 35.02 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.196 -0.94 . . . . 0.0 109.542 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 587' ' ' VAL . . . . . 0.498 HG22 ' N ' ' B' ' 588' ' ' VAL . 2.8 p -175.15 160.55 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.284 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 588' ' ' VAL . . . . . 0.498 ' N ' HG22 ' B' ' 587' ' ' VAL . 12.0 p -77.72 133.57 66.29 Favored Pre-proline 0 C--N 1.293 -1.865 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 589' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -59.9 130.68 35.82 Favored 'Trans proline' 0 C--O 1.216 -0.596 0 N-CA-C 109.612 -0.957 . . . . 0.0 109.612 179.602 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 590' ' ' SER . . . . . . . . . . . . . 25.4 t -174.46 143.55 0.83 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.236 -0.915 . . . . 0.0 109.452 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 591' ' ' LYS . . . . . 0.525 ' O ' ' N ' ' B' ' 593' ' ' GLY . 0.3 OUTLIER -172.46 52.88 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.252 -0.905 . . . . 0.0 109.445 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 79.0 mt-10 -48.96 91.67 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.28 -0.887 . . . . 0.0 109.47 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 593' ' ' GLY . . . . . 0.525 ' N ' ' O ' ' B' ' 591' ' ' LYS . . . 157.56 155.2 7.41 Favored Glycine 0 N--CA 1.488 2.133 0 N-CA-C 109.062 -1.615 . . . . 0.0 109.062 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 594' ' ' SER . . . . . . . . . . . . . 57.9 m -90.93 164.25 14.08 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.127 -1.219 . . . . 0.0 110.34 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 595' ' ' LEU . . . . . . . . . . . . . 30.4 mt -81.41 118.7 22.9 Favored 'General case' 0 C--N 1.299 -1.612 0 N-CA-C 108.75 -0.834 . . . . 0.0 108.75 179.234 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 596' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -126.98 153.88 45.31 Favored 'General case' 0 N--CA 1.506 2.341 0 O-C-N 121.461 -0.774 . . . . 0.0 109.101 -179.078 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 597' ' ' ARG . . . . . 0.572 HH11 ' CG ' ' B' ' 597' ' ' ARG . 3.4 mtt-85 -103.45 -144.48 0.36 Allowed 'General case' 0 N--CA 1.501 2.107 0 O-C-N 121.418 -0.801 . . . . 0.0 111.359 -178.309 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 598' ' ' CYS . . . . . 0.492 ' O ' ' N ' ' B' ' 600' ' ' GLU . 5.1 p -76.02 -99.73 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.619 -0.676 . . . . 0.0 111.226 -178.366 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 599' ' ' SER . . . . . 0.412 ' N ' ' SG ' ' B' ' 598' ' ' CYS . 1.8 t -43.79 -21.6 0.04 OUTLIER 'General case' 0 N--CA 1.497 1.906 0 CA-C-O 121.855 0.836 . . . . 0.0 109.526 -178.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 600' ' ' GLU . . . . . 0.492 ' N ' ' O ' ' B' ' 598' ' ' CYS . 9.6 tp10 -46.72 -40.75 13.95 Favored 'General case' 0 C--N 1.302 -1.481 0 CA-C-O 122.961 1.363 . . . . 0.0 108.459 179.039 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 601' ' ' ILE . . . . . 0.528 ' O ' ' N ' ' B' ' 604' ' ' ARG . 1.1 mp -70.51 -35.8 63.26 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.151 0 CA-C-N 115.243 -0.89 . . . . 0.0 108.932 -178.759 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 602' ' ' TRP . . . . . 0.409 ' C ' ' O ' ' B' ' 601' ' ' ILE . 72.9 t-105 -44.22 -38.07 3.57 Favored 'General case' 0 N--CA 1.496 1.837 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 603' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -69.71 -42.6 73.83 Favored 'General case' 0 C--N 1.302 -1.463 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 177.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 604' ' ' ARG . . . . . 0.528 ' N ' ' O ' ' B' ' 601' ' ' ILE . 13.6 tpt180 -58.05 -27.76 63.9 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.441 -0.787 . . . . 0.0 110.02 179.256 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 605' ' ' ILE . . . . . . . . . . . . . 69.5 mt -84.25 -42.87 17.29 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.922 0 O-C-N 121.372 -0.83 . . . . 0.0 110.637 -179.214 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 606' ' ' THR . . . . . . . . . . . . . 40.9 p -59.38 -49.42 77.86 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.936 -1.103 . . . . 0.0 110.056 -179.233 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 607' ' ' THR . . . . . 0.528 HG23 ' N ' ' B' ' 608' ' ' HIS . 8.3 t -59.7 -43.93 93.87 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.165 -0.96 . . . . 0.0 110.152 -179.394 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 608' ' ' HIS . . . . . 0.528 ' N ' HG23 ' B' ' 607' ' ' THR . 2.7 m-70 -47.03 110.07 1.2 Allowed Pre-proline 0 N--CA 1.49 1.548 0 O-C-N 121.169 -0.957 . . . . 0.0 109.821 -179.569 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 609' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -60.21 -9.12 9.65 Favored 'Trans proline' 0 C--O 1.216 -0.625 0 N-CA-C 109.208 -1.112 . . . . 0.0 109.208 179.609 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 610' ' ' LYS . . . . . 0.506 ' O ' ' O ' ' B' ' 611' ' ' TYR . 25.1 mmtm -77.78 -108.87 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 107.961 -1.125 . . . . 0.0 107.961 178.604 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 611' ' ' TYR . . . . . 0.506 ' O ' ' O ' ' B' ' 610' ' ' LYS . 59.2 t80 43.39 101.48 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.54 -0.725 . . . . 0.0 110.397 178.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 612' ' ' SER . . . . . . . . . . . . . 11.5 t -175.33 -36.14 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.519 0 O-C-N 120.647 -1.283 . . . . 0.0 109.549 179.473 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 613' ' ' ASP . . . . . . . . . . . . . 64.2 t0 -140.93 62.64 1.47 Allowed 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.287 -0.883 . . . . 0.0 109.689 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 614' ' ' ILE . . . . . 0.67 HG22 ' N ' ' B' ' 615' ' ' ASP . 94.5 mt -121.41 177.04 3.67 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.051 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 -179.691 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 615' ' ' ASP . . . . . 0.67 ' N ' HG22 ' B' ' 614' ' ' ILE . 3.6 m-20 -113.26 109.89 19.48 Favored 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 107.179 -1.415 . . . . 0.0 107.179 178.44 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 616' ' ' VAL . . . . . 0.431 ' O ' ' SG ' ' B' ' 620' ' ' CYS . 1.4 p -78.52 -16.32 13.71 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.57 0 O-C-N 121.354 -0.841 . . . . 0.0 109.16 -179.105 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 617' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -77.02 -39.21 51.02 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.308 -0.87 . . . . 0.0 110.462 -179.446 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 618' ' ' GLY . . . . . . . . . . . . . . . -69.78 -49.59 35.11 Favored Glycine 0 N--CA 1.489 2.206 0 N-CA-C 109.785 -1.326 . . . . 0.0 109.785 -179.635 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 619' ' ' LEU . . . . . 0.702 ' C ' HD12 ' B' ' 619' ' ' LEU . 3.5 pp -60.63 -21.28 62.55 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.087 -1.243 . . . . 0.0 109.278 -179.785 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 620' ' ' CYS . . . . . 0.509 ' N ' HD12 ' B' ' 619' ' ' LEU . 32.9 m -69.19 -40.75 77.86 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.862 -1.149 . . . . 0.0 109.524 179.207 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 84.1 p -81.88 -2.5 51.38 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 120.839 -1.163 . . . . 0.0 109.637 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 622' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -98.25 -47.66 5.37 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.063 -1.023 . . . . 0.0 108.683 177.043 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 623' ' ' LEU . . . . . . . . . . . . . 8.2 mp -74.81 -25.97 59.4 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.792 -1.192 . . . . 0.0 109.815 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 624' ' ' MET . . . . . 0.487 ' SD ' ' O ' ' B' ' 620' ' ' CYS . 58.5 mtp -73.66 -31.35 63.44 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.938 -1.101 . . . . 0.0 111.775 -178.114 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 625' ' ' ALA . . . . . . . . . . . . . . . -98.37 -15.8 19.56 Favored 'General case' 0 N--CA 1.504 2.244 0 O-C-N 120.726 -1.234 . . . . 0.0 108.752 179.056 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 626' ' ' LYS . . . . . . . . . . . . . 54.5 mmtt -80.89 -10.9 59.67 Favored 'General case' 0 C--N 1.299 -1.587 0 N-CA-C 104.902 -2.258 . . . . 0.0 104.902 175.158 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 627' ' ' ALA . . . . . . . . . . . . . . . -49.99 104.38 0.07 Allowed 'General case' 0 N--CA 1.489 1.488 0 CA-C-N 114.666 -1.152 . . . . 0.0 111.379 -179.606 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 628' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -80.13 89.92 5.44 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 106.706 -1.59 . . . . 0.0 106.706 177.673 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 629' ' ' CYS . . . . . . . . . . . . . 63.7 m -55.56 139.3 44.6 Favored 'General case' 0 N--CA 1.493 1.69 0 CA-C-O 122.399 1.095 . . . . 0.0 112.188 -177.314 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 630' ' ' SER . . . . . . . . . . . . . 5.3 t -141.9 162.22 36.02 Favored 'General case' 0 N--CA 1.494 1.753 0 N-CA-C 107.369 -1.345 . . . . 0.0 107.369 178.294 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 631' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -68.09 -28.7 67.57 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.463 -1.398 . . . . 0.0 110.374 -178.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 21.3 mmt180 -76.28 -16.74 59.72 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.753 -1.217 . . . . 0.0 108.622 179.483 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 633' ' ' GLY . . . . . . . . . . . . . . . 140.79 -178.41 20.1 Favored Glycine 0 N--CA 1.496 2.654 0 N-CA-C 108.466 -1.853 . . . . 0.0 108.466 -179.468 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 634' ' ' VAL . . . . . . . . . . . . . 32.1 m -78.59 157.8 4.88 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.335 0 O-C-N 120.516 -1.579 . . . . 0.0 110.155 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 1.7 m -148.26 139.03 17.26 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 178.081 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 636' ' ' ILE . . . . . . . . . . . . . 61.2 mt -129.0 144.67 37.46 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.993 0 O-C-N 121.526 -0.734 . . . . 0.0 109.503 -179.286 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 637' ' ' ASN . . . . . 0.515 ' ND2' ' O ' ' B' ' 593' ' ' GLY . 12.3 t-20 -84.01 135.78 34.3 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.298 -0.876 . . . . 0.0 108.842 179.417 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -49.34 -10.77 0.04 OUTLIER 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.363 -0.836 . . . . 0.0 109.962 -179.667 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 639' ' ' GLU . . . . . 0.498 ' N ' ' O ' ' B' ' 637' ' ' ASN . 6.1 tm-20 -83.15 -26.66 30.72 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.123 -0.986 . . . . 0.0 111.383 -178.656 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 640' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -78.11 -47.99 16.99 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 119.853 -1.779 . . . . 0.0 107.794 178.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 641' ' ' VAL . . . . . 0.554 HG13 ' N ' ' B' ' 642' ' ' GLN . 4.7 p -57.9 -51.36 71.52 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.623 0 O-C-N 121.256 -0.902 . . . . 0.0 108.659 177.387 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 642' ' ' GLN . . . . . 0.554 ' N ' HG13 ' B' ' 641' ' ' VAL . 26.3 mt-30 -48.1 -33.72 8.64 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 120.803 -1.185 . . . . 0.0 109.277 179.734 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 643' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -79.3 -24.73 42.65 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.273 -0.892 . . . . 0.0 109.373 178.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 644' ' ' ALA . . . . . 0.418 ' N ' ' O ' ' B' ' 641' ' ' VAL . . . -86.2 -35.44 20.06 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 120.557 -1.339 . . . . 0.0 109.777 178.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 645' ' ' LEU . . . . . . . . . . . . . 81.3 mt -76.09 -23.68 54.99 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.763 -1.211 . . . . 0.0 109.122 179.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 646' ' ' ASN . . . . . 0.675 HD22 ' N ' ' B' ' 646' ' ' ASN . 0.8 OUTLIER -93.53 -12.06 30.48 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.359 -0.838 . . . . 0.0 110.033 -179.856 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 647' ' ' LYS . . . . . 0.426 ' C ' ' H ' ' B' ' 649' ' ' MET . 37.9 ttpt -67.7 -80.06 0.05 OUTLIER 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.994 -1.066 . . . . 0.0 110.538 -179.209 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 648' ' ' HIS . . . . . 0.703 ' CD2' ' H ' ' B' ' 648' ' ' HIS . 0.1 OUTLIER -74.69 35.71 0.1 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.22 -0.925 . . . . 0.0 110.004 -178.696 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 649' ' ' MET . . . . . 0.426 ' H ' ' C ' ' B' ' 647' ' ' LYS . 0.8 OUTLIER -93.0 135.69 33.93 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.964 -1.085 . . . . 0.0 109.512 -179.946 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 650' ' ' ASN . . . . . . . . . . . . . 48.4 t30 . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 117.98 -1.01 . . . . 0.0 109.505 179.983 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 279' ' ' ASN . . . . . . . . . . . . . 8.1 p30 . . . . . 0 N--CA 1.49 1.554 0 CA-C-O 121.317 0.579 . . . . 0.0 109.485 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 280' ' ' LEU . . . . . 0.573 HD12 ' N ' ' A' ' 280' ' ' LEU . 8.4 mp -64.37 -75.29 0.09 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.18 -0.95 . . . . 0.0 109.264 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 281' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -70.05 -141.11 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.242 -0.911 . . . . 0.0 109.394 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 282' ' ' SER . . . . . . . . . . . . . 13.2 t 52.49 77.27 0.16 Allowed 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.23 -0.919 . . . . 0.0 109.507 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 283' ' ' ASN . . . . . 0.423 ' CG ' ' H ' ' A' ' 284' ' ' MET . 19.0 t-20 -71.01 -179.83 2.45 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.205 -0.934 . . . . 0.0 109.497 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 284' ' ' MET . . . . . 0.423 ' H ' ' CG ' ' A' ' 283' ' ' ASN . 51.4 mtm 52.77 80.37 0.1 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.247 -0.908 . . . . 0.0 109.52 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 285' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -71.7 166.11 22.61 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.28 -0.888 . . . . 0.0 109.411 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 286' ' ' SER . . . . . . . . . . . . . 9.0 m -53.36 -179.38 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.14 -0.975 . . . . 0.0 109.413 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 287' ' ' ASN . . . . . 0.464 HD22 ' N ' ' A' ' 287' ' ' ASN . 2.2 m120 -73.75 92.55 2.02 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.266 -0.896 . . . . 0.0 109.402 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 288' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -78.62 74.4 5.15 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.212 -0.93 . . . . 0.0 109.477 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 289' ' ' PHE . . . . . 0.522 ' CE1' ' OD1' ' A' ' 290' ' ' ASN . 46.1 p90 -77.09 -28.17 54.43 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.271 -0.893 . . . . 0.0 109.489 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 290' ' ' ASN . . . . . 0.522 ' OD1' ' CE1' ' A' ' 289' ' ' PHE . 9.0 m120 -63.17 -145.48 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.273 -0.892 . . . . 0.0 109.486 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 291' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -160.39 -60.92 0.06 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.296 -0.877 . . . . 0.0 109.462 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 292' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -60.56 -67.06 0.43 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.32 -0.863 . . . . 0.0 109.439 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 293' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -70.94 176.69 4.14 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.217 -0.927 . . . . 0.0 109.474 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 294' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -149.76 131.19 14.74 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.26 -0.9 . . . . 0.0 109.401 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 295' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -60.62 179.61 0.16 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.451 -0.78 . . . . 0.0 109.444 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . 26.3 p30 -173.84 36.37 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.45 -0.781 . . . . 0.0 109.333 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 297' ' ' GLU . . . . . . . . . . . . . 22.2 tp10 50.92 67.97 0.85 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.251 -0.906 . . . . 0.0 109.594 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 298' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -171.3 -6.55 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.324 -0.86 . . . . 0.0 109.226 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 299' ' ' VAL . . . . . 0.553 ' C ' ' H ' ' A' ' 301' ' ' GLU . 7.2 p -103.46 77.95 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.752 0 CA-C-O 122.462 1.125 . . . . 0.0 109.391 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 300' ' ' SER . . . . . 0.519 ' C ' ' N ' ' A' ' 302' ' ' PHE . 10.3 m -72.97 32.83 0.07 Allowed 'General case' 0 C--N 1.292 -1.911 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 178.275 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 301' ' ' GLU . . . . . 0.553 ' H ' ' C ' ' A' ' 299' ' ' VAL . 32.3 tt0 -44.42 -24.78 0.2 Allowed 'General case' 0 N--CA 1.494 1.775 0 N-CA-C 107.055 -1.461 . . . . 0.0 107.055 178.002 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 302' ' ' PHE . . . . . 0.519 ' N ' ' C ' ' A' ' 300' ' ' SER . 86.4 t80 -70.77 -65.32 0.75 Allowed 'General case' 0 C--N 1.299 -1.616 0 CA-C-N 114.233 -1.349 . . . . 0.0 109.818 179.402 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 303' ' ' CYS . . . . . 0.451 ' O ' ' N ' ' A' ' 306' ' ' MET . 5.2 t -66.65 -51.34 57.28 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.241 -0.912 . . . . 0.0 109.483 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 19.5 m -48.83 -25.02 1.65 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.388 -0.82 . . . . 0.0 110.163 -179.684 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 305' ' ' LYS . . . . . 0.443 ' CG ' ' O ' ' A' ' 301' ' ' GLU . 4.7 mmmm -101.14 -13.61 18.09 Favored 'General case' 0 N--CA 1.5 2.074 0 N-CA-C 108.18 -1.044 . . . . 0.0 108.18 177.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 306' ' ' MET . . . . . 0.451 ' N ' ' O ' ' A' ' 303' ' ' CYS . 9.3 ttt -74.25 -25.44 59.63 Favored 'General case' 0 C--N 1.301 -1.509 0 N-CA-C 107.702 -1.221 . . . . 0.0 107.702 177.374 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 307' ' ' ASN . . . . . 0.427 ' O ' ' C ' ' A' ' 308' ' ' GLN . 1.4 t30 -86.72 -40.0 15.47 Favored 'General case' 0 N--CA 1.493 1.696 0 N-CA-C 106.349 -1.723 . . . . 0.0 106.349 178.395 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 308' ' ' GLN . . . . . 0.529 ' O ' ' N ' ' A' ' 310' ' ' CYS . 32.8 tt0 -36.13 -42.73 0.31 Allowed 'General case' 0 N--CA 1.501 2.102 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.057 178.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 309' ' ' VAL . . . . . . . . . . . . . 11.8 t -45.29 -16.74 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.499 2.011 0 CA-C-O 121.908 0.861 . . . . 0.0 109.513 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 310' ' ' CYS . . . . . 0.529 ' N ' ' O ' ' A' ' 308' ' ' GLN . 0.5 OUTLIER -88.71 14.89 9.13 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.697 -0.627 . . . . 0.0 109.498 179.476 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 311' ' ' GLY . . . . . 0.518 ' N ' ' O ' ' A' ' 308' ' ' GLN . . . -77.35 116.63 4.58 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.359 -1.497 . . . . 0.0 109.359 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 312' ' ' THR . . . . . . . . . . . . . 28.3 m -80.01 137.38 36.8 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.197 -1.178 . . . . 0.0 109.492 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 313' ' ' ARG . . . . . . . . . . . . . 37.3 ttm180 . . . . . 0 N--CA 1.49 1.53 0 CA-C-O 118.035 -0.984 . . . . 0.0 109.491 -179.98 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 565' ' ' ASN . . . . . 0.593 ' N ' HD22 ' B' ' 565' ' ' ASN . 0.9 OUTLIER . . . . . 0 N--CA 1.489 1.507 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 566' ' ' GLY . . . . . . . . . . . . . . . -63.93 136.29 40.86 Favored Glycine 0 N--CA 1.491 2.316 0 N-CA-C 109.494 -1.442 . . . . 0.0 109.494 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 567' ' ' SER . . . . . . . . . . . . . 90.3 p -64.62 -61.31 2.28 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.271 -1.135 . . . . 0.0 109.445 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 568' ' ' SER . . . . . . . . . . . . . 70.1 m -166.58 55.25 0.09 Allowed 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.264 -0.897 . . . . 0.0 109.46 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 569' ' ' LEU . . . . . 0.576 HD22 ' N ' ' B' ' 569' ' ' LEU . 3.5 mm? -70.74 98.46 1.54 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.215 -0.928 . . . . 0.0 109.119 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 570' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 52.11 22.69 1.98 Allowed 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.232 -0.917 . . . . 0.0 109.316 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 571' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -62.84 140.08 58.76 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.216 -0.928 . . . . 0.0 109.269 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -169.8 -179.95 3.47 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.222 -0.924 . . . . 0.0 109.438 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 573' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -168.58 36.23 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.301 -0.874 . . . . 0.0 109.6 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 574' ' ' LYS . . . . . . . . . . . . . 15.5 tptm -167.64 159.56 12.09 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.326 -0.859 . . . . 0.0 109.249 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 575' ' ' ILE . . . . . 0.505 ' O ' ' ND2' ' B' ' 577' ' ' ASN . 4.7 tp -160.57 137.08 1.97 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.154 -0.966 . . . . 0.0 109.282 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 576' ' ' ASN . . . . . . . . . . . . . 4.1 m120 50.29 67.99 0.83 Allowed 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.256 -0.902 . . . . 0.0 109.543 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 577' ' ' ASN . . . . . 0.505 ' ND2' ' O ' ' B' ' 575' ' ' ILE . 68.4 m-80 -159.85 95.25 1.17 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.288 -0.883 . . . . 0.0 109.48 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 578' ' ' GLY . . . . . . . . . . . . . . . -167.29 4.35 0.05 OUTLIER Glycine 0 N--CA 1.489 2.227 0 N-CA-C 109.566 -1.414 . . . . 0.0 109.566 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 579' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -157.62 122.91 4.51 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.417 -1.049 . . . . 0.0 109.366 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 580' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -168.5 -39.29 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.182 -0.949 . . . . 0.0 109.5 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 581' ' ' ASN . . . . . 0.437 ' C ' ' H ' ' B' ' 583' ' ' ASN . 12.3 m120 -157.51 129.5 7.1 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.207 -0.933 . . . . 0.0 109.47 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 582' ' ' ASP . . . . . . . . . . . . . 46.2 m-20 -76.1 25.62 0.12 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.354 -0.841 . . . . 0.0 109.513 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 583' ' ' ASN . . . . . 0.437 ' H ' ' C ' ' B' ' 581' ' ' ASN . 17.4 p-10 -169.55 116.2 0.58 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.279 -0.888 . . . . 0.0 109.499 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 584' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -63.55 -67.73 0.4 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.29 -0.882 . . . . 0.0 109.474 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 585' ' ' ASN . . . . . . . . . . . . . 34.5 p-10 -170.18 35.77 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.245 -0.909 . . . . 0.0 109.465 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 586' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -68.06 150.76 48.02 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.279 -0.888 . . . . 0.0 109.455 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 587' ' ' VAL . . . . . 0.417 HG22 HG23 ' B' ' 588' ' ' VAL . 1.5 p -176.5 146.98 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.327 0 O-C-N 121.306 -0.871 . . . . 0.0 108.849 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 588' ' ' VAL . . . . . 0.47 ' O ' HG12 ' B' ' 588' ' ' VAL . 90.1 t 43.97 73.83 0.89 Allowed Pre-proline 0 N--CA 1.497 1.893 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 -179.676 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 589' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_exo -63.42 -179.58 0.68 Allowed 'Trans proline' 0 C--N 1.317 -1.091 0 C-N-CA 121.367 1.378 . . . . 0.0 109.759 -179.489 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 590' ' ' SER . . . . . 0.418 ' O ' ' O ' ' B' ' 591' ' ' LYS . 4.2 p 63.24 -154.23 0.33 Allowed 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.329 -0.857 . . . . 0.0 109.372 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 591' ' ' LYS . . . . . 0.483 ' C ' ' H ' ' B' ' 593' ' ' GLY . 13.9 mmmt -48.67 174.75 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.204 -0.935 . . . . 0.0 109.204 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -75.55 16.25 0.39 Allowed 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.164 -0.96 . . . . 0.0 108.854 179.406 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 593' ' ' GLY . . . . . 0.483 ' H ' ' C ' ' B' ' 591' ' ' LYS . . . 154.47 -148.2 18.4 Favored Glycine 0 N--CA 1.486 1.998 0 N-CA-C 109.023 -1.631 . . . . 0.0 109.023 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 594' ' ' SER . . . . . . . . . . . . . 65.8 m -124.8 166.25 16.56 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.686 -0.89 . . . . 0.0 110.057 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 595' ' ' LEU . . . . . 0.573 HD22 ' N ' ' B' ' 595' ' ' LEU . 3.8 mm? -94.07 124.91 38.38 Favored 'General case' 0 C--N 1.3 -1.57 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 179.364 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 596' ' ' LEU . . . . . . . . . . . . . 1.3 mp -128.54 153.7 46.92 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.34 -0.85 . . . . 0.0 109.573 -179.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 597' ' ' ARG . . . . . . . . . . . . . 40.3 mtp180 -102.59 -146.9 0.37 Allowed 'General case' 0 N--CA 1.501 2.113 0 CA-C-O 121.802 0.811 . . . . 0.0 111.521 -178.014 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 598' ' ' CYS . . . . . 0.615 ' SG ' ' N ' ' B' ' 599' ' ' SER . 14.8 t -69.64 -104.44 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.858 -0.526 . . . . 0.0 111.6 -177.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 599' ' ' SER . . . . . 0.615 ' N ' ' SG ' ' B' ' 598' ' ' CYS . 41.7 m -45.0 -18.0 0.02 OUTLIER 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.129 -0.982 . . . . 0.0 109.487 -178.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 600' ' ' GLU . . . . . 0.524 ' N ' ' O ' ' B' ' 598' ' ' CYS . 8.6 tp10 -46.41 -40.46 12.19 Favored 'General case' 0 C--N 1.3 -1.578 0 CA-C-O 122.341 1.067 . . . . 0.0 109.015 179.389 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 601' ' ' ILE . . . . . 0.576 ' O ' ' N ' ' B' ' 604' ' ' ARG . 1.2 mp -68.13 -35.11 70.25 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.163 0 N-CA-C 107.517 -1.29 . . . . 0.0 107.517 -178.601 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 602' ' ' TRP . . . . . 0.445 ' N ' ' O ' ' B' ' 599' ' ' SER . 46.8 t-105 -43.18 -38.05 2.34 Favored 'General case' 0 N--CA 1.494 1.729 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 179.75 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 603' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -68.88 -42.77 76.54 Favored 'General case' 0 C--N 1.304 -1.374 0 N-CA-C 107.921 -1.141 . . . . 0.0 107.921 177.569 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 604' ' ' ARG . . . . . 0.576 ' N ' ' O ' ' B' ' 601' ' ' ILE . 15.6 mmt180 -56.38 -42.71 78.33 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.371 -0.831 . . . . 0.0 109.293 178.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 605' ' ' ILE . . . . . . . . . . . . . 17.3 mm -57.86 -48.97 82.57 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.998 0 O-C-N 121.504 -0.747 . . . . 0.0 110.312 179.283 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 606' ' ' THR . . . . . . . . . . . . . 67.1 p -59.76 -53.58 56.27 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.911 -1.118 . . . . 0.0 110.087 -178.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 607' ' ' THR . . . . . . . . . . . . . 73.3 p -57.6 -48.81 78.37 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.018 -1.051 . . . . 0.0 110.285 -179.381 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 608' ' ' HIS . . . . . 0.408 ' CG ' ' O ' ' B' ' 604' ' ' ARG . 4.6 m-70 -43.07 106.31 0.48 Allowed Pre-proline 0 N--CA 1.495 1.779 0 O-C-N 121.389 -0.819 . . . . 0.0 110.304 -179.753 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 609' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -68.21 -28.84 33.54 Favored 'Trans proline' 0 CA--C 1.536 0.612 0 N-CA-C 109.496 -1.002 . . . . 0.0 109.496 179.636 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 610' ' ' LYS . . . . . . . . . . . . . 12.5 tptm -69.2 -8.06 42.24 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.032 -1.042 . . . . 0.0 108.928 179.581 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 611' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -48.88 125.34 10.14 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.431 -0.793 . . . . 0.0 109.237 179.658 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 612' ' ' SER . . . . . . . . . . . . . 12.2 t -172.2 -88.04 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.288 -0.882 . . . . 0.0 108.779 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 613' ' ' ASP . . . . . 0.459 ' O ' ' O ' ' B' ' 614' ' ' ILE . 2.2 m-20 -83.09 -83.88 0.13 Allowed 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.381 -0.824 . . . . 0.0 109.225 179.385 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 614' ' ' ILE . . . . . 0.602 HG22 ' N ' ' B' ' 615' ' ' ASP . 82.2 mt 53.2 166.18 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.762 0 O-C-N 121.504 -0.747 . . . . 0.0 110.831 178.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 615' ' ' ASP . . . . . 0.602 ' N ' HG22 ' B' ' 614' ' ' ILE . 1.2 m-20 -121.93 116.9 25.19 Favored 'General case' 0 N--CA 1.493 1.679 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 179.437 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 616' ' ' VAL . . . . . . . . . . . . . 41.6 t -80.05 -16.43 12.89 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.55 0 O-C-N 121.323 -0.861 . . . . 0.0 109.24 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 617' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -75.87 -43.65 44.52 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.247 -0.908 . . . . 0.0 110.449 -178.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 618' ' ' GLY . . . . . . . . . . . . . . . -67.19 -42.51 91.09 Favored Glycine 0 N--CA 1.491 2.349 0 N-CA-C 109.571 -1.411 . . . . 0.0 109.571 -179.711 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 619' ' ' LEU . . . . . 0.613 ' HG ' HD13 ' B' ' 623' ' ' LEU . 0.5 OUTLIER -63.4 -26.02 68.55 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.229 -1.159 . . . . 0.0 108.107 179.578 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 620' ' ' CYS . . . . . 0.486 ' O ' ' CG ' ' B' ' 624' ' ' MET . 14.3 t -67.78 -54.45 19.1 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.313 -0.867 . . . . 0.0 110.533 -179.704 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 37.5 t -76.61 -0.51 23.6 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 120.666 -1.271 . . . . 0.0 109.354 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 622' ' ' GLU . . . . . . . . . . . . . 53.8 tt0 -100.18 -43.77 6.19 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.235 -0.916 . . . . 0.0 109.069 177.683 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 623' ' ' LEU . . . . . 0.613 HD13 ' HG ' ' B' ' 619' ' ' LEU . 3.9 mp -86.15 -30.14 22.71 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 120.739 -1.225 . . . . 0.0 109.953 -179.847 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 624' ' ' MET . . . . . 0.486 ' CG ' ' O ' ' B' ' 620' ' ' CYS . 30.8 mmm -59.09 -31.94 69.35 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 121.033 -1.042 . . . . 0.0 111.967 -178.279 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 625' ' ' ALA . . . . . . . . . . . . . . . -103.62 -3.8 24.68 Favored 'General case' 0 N--CA 1.507 2.406 0 O-C-N 120.645 -1.284 . . . . 0.0 110.28 -179.708 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 626' ' ' LYS . . . . . . . . . . . . . 34.3 mmtm -88.19 -12.23 44.48 Favored 'General case' 0 N--CA 1.492 1.65 0 N-CA-C 106.756 -1.572 . . . . 0.0 106.756 176.51 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 627' ' ' ALA . . . . . . . . . . . . . . . -45.32 138.24 4.22 Favored 'General case' 0 N--CA 1.492 1.669 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.843 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 628' ' ' LYS . . . . . . . . . . . . . 51.0 mttp -117.52 93.42 4.16 Favored 'General case' 0 N--CA 1.499 1.977 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 178.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 629' ' ' CYS . . . . . . . . . . . . . 14.4 m -54.78 119.48 5.41 Favored 'General case' 0 N--CA 1.494 1.739 0 CA-C-O 122.401 1.096 . . . . 0.0 111.532 -178.152 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 630' ' ' SER . . . . . . . . . . . . . 44.6 t -142.58 160.15 40.86 Favored 'General case' 0 N--CA 1.494 1.751 0 N-CA-C 107.461 -1.311 . . . . 0.0 107.461 178.363 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 631' ' ' GLU . . . . . 0.491 ' C ' ' H ' ' B' ' 633' ' ' GLY . 8.6 pt-20 -64.3 -23.29 67.25 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.27 -1.519 . . . . 0.0 108.797 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 17.8 mmt180 -79.44 34.5 0.26 Allowed 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 107.391 -1.337 . . . . 0.0 107.391 177.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 633' ' ' GLY . . . . . 0.491 ' H ' ' C ' ' B' ' 631' ' ' GLU . . . 70.48 -169.7 46.86 Favored Glycine 0 N--CA 1.491 2.361 0 N-CA-C 107.633 -2.187 . . . . 0.0 107.633 -178.327 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 634' ' ' VAL . . . . . . . . . . . . . 9.2 p -78.48 141.98 14.72 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.408 0 O-C-N 120.399 -1.648 . . . . 0.0 109.293 179.495 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 31.3 m -133.36 138.3 51.47 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.155 0 O-C-N 121.242 -0.911 . . . . 0.0 108.934 178.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 636' ' ' ILE . . . . . . . . . . . . . 62.7 mt -129.91 153.8 39.4 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.924 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 -179.198 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 637' ' ' ASN . . . . . 0.7 HD22 ' N ' ' B' ' 637' ' ' ASN . 0.7 OUTLIER -90.71 138.0 31.92 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.154 -0.966 . . . . 0.0 110.008 -179.678 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -53.57 -11.04 0.31 Allowed 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.69 -0.631 . . . . 0.0 111.092 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 639' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -78.16 -19.37 54.11 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.809 -1.182 . . . . 0.0 110.612 -179.685 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 640' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -86.48 -59.58 2.24 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 120.231 -1.543 . . . . 0.0 108.421 177.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 641' ' ' VAL . . . . . 0.462 ' HA ' HD11 ' B' ' 623' ' ' LEU . 1.9 p -51.01 -35.0 14.44 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 121.021 -1.049 . . . . 0.0 109.262 178.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 642' ' ' GLN . . . . . . . . . . . . . 40.0 tp60 -70.08 -35.01 73.89 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.216 -0.928 . . . . 0.0 109.011 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 643' ' ' LEU . . . . . . . . . . . . . 97.2 mt -83.72 -18.49 37.72 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.042 -1.036 . . . . 0.0 108.553 178.158 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 644' ' ' ALA . . . . . 0.422 ' O ' ' CD2' ' B' ' 648' ' ' HIS . . . -88.38 -34.47 17.57 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.989 -1.069 . . . . 0.0 109.202 178.511 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 645' ' ' LEU . . . . . 0.421 HD21 HD13 ' B' ' 619' ' ' LEU . 69.5 mt -87.3 -25.72 23.78 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.058 -1.026 . . . . 0.0 110.009 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 646' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -88.03 -12.96 42.82 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 120.912 -1.118 . . . . 0.0 109.754 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 647' ' ' LYS . . . . . . . . . . . . . 49.7 mtpt -96.16 -4.5 42.52 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.044 -1.035 . . . . 0.0 108.834 179.114 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 648' ' ' HIS . . . . . 0.422 ' CD2' ' O ' ' B' ' 644' ' ' ALA . 4.3 m-70 -113.25 12.29 18.9 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.631 -0.668 . . . . 0.0 109.416 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 649' ' ' MET . . . . . . . . . . . . . 50.6 tpp -95.48 128.87 42.69 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.285 -0.885 . . . . 0.0 109.497 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 650' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 . . . . . 0 N--CA 1.489 1.512 0 CA-C-O 118.032 -0.985 . . . . 0.0 109.411 180.0 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 279' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.49 1.57 0 CA-C-O 121.314 0.578 . . . . 0.0 109.533 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 280' ' ' LEU . . . . . 0.517 ' O ' HD23 ' A' ' 280' ' ' LEU . 1.0 OUTLIER -59.24 -37.41 77.48 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.171 -0.956 . . . . 0.0 109.037 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 281' ' ' ASP . . . . . 0.422 ' OD1' ' O ' ' A' ' 280' ' ' LEU . 44.1 m-20 -151.96 -151.88 0.4 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.187 -0.946 . . . . 0.0 109.366 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 282' ' ' SER . . . . . . . . . . . . . 50.0 m -55.52 122.22 10.78 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.285 -0.885 . . . . 0.0 109.461 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 283' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -164.85 16.34 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.274 -0.891 . . . . 0.0 109.477 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 284' ' ' MET . . . . . . . . . . . . . 25.5 mmt -75.62 58.45 1.06 Allowed 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.245 -0.909 . . . . 0.0 109.466 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 285' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -168.62 110.62 0.54 Allowed 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.167 -0.958 . . . . 0.0 109.513 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 286' ' ' SER . . . . . . . . . . . . . 31.0 t -67.87 -89.2 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.267 -0.896 . . . . 0.0 109.508 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 287' ' ' ASN . . . . . 0.514 ' ND2' ' N ' ' A' ' 288' ' ' ASP . 0.7 OUTLIER -170.78 -30.86 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.219 -0.926 . . . . 0.0 109.569 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 288' ' ' ASP . . . . . 0.514 ' N ' ' ND2' ' A' ' 287' ' ' ASN . 3.0 p30 -60.84 -152.43 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.29 -0.881 . . . . 0.0 109.482 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 289' ' ' PHE . . . . . 0.522 ' O ' ' N ' ' A' ' 291' ' ' PHE . 51.9 m-85 -156.98 -7.02 0.1 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.215 -0.928 . . . . 0.0 109.36 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 290' ' ' ASN . . . . . . . . . . . . . 29.5 t-20 51.78 -89.81 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.262 -0.899 . . . . 0.0 109.546 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 291' ' ' PHE . . . . . 0.522 ' N ' ' O ' ' A' ' 289' ' ' PHE . 58.7 t80 -160.37 -62.02 0.06 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.202 -0.936 . . . . 0.0 109.407 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 292' ' ' GLU . . . . . . . . . . . . . 69.5 tt0 -170.46 -45.81 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.348 -0.845 . . . . 0.0 109.242 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 293' ' ' ASN . . . . . 0.524 ' O ' ' N ' ' A' ' 295' ' ' PHE . 1.9 p-10 -70.72 -159.27 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.27 -0.894 . . . . 0.0 109.557 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 294' ' ' GLN . . . . . 0.439 ' O ' ' O ' ' A' ' 295' ' ' PHE . 49.7 tp60 50.0 -89.8 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.332 -0.855 . . . . 0.0 109.444 -179.639 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 295' ' ' PHE . . . . . 0.524 ' N ' ' O ' ' A' ' 293' ' ' ASN . 15.5 t80 60.36 153.24 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.625 0 O-C-N 120.825 -1.172 . . . . 0.0 109.123 -179.614 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 50.3 79.59 0.08 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.202 -0.936 . . . . 0.0 109.277 -179.696 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 297' ' ' GLU . . . . . . . . . . . . . 58.8 mt-10 -73.95 136.31 43.26 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.256 -0.903 . . . . 0.0 109.764 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 298' ' ' GLN . . . . . 0.458 ' O ' ' C ' ' A' ' 299' ' ' VAL . 13.2 pt20 -164.21 -49.18 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.263 -0.898 . . . . 0.0 109.479 179.641 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 299' ' ' VAL . . . . . 0.512 ' C ' ' H ' ' A' ' 301' ' ' GLU . 4.1 m 31.34 82.83 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.505 2.279 0 CA-C-O 121.881 0.848 . . . . 0.0 111.417 179.672 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 300' ' ' SER . . . . . 0.552 ' C ' ' N ' ' A' ' 302' ' ' PHE . 15.7 m -73.54 26.57 0.07 Allowed 'General case' 0 C--N 1.296 -1.732 0 C-N-CA 119.609 -0.836 . . . . 0.0 108.951 178.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 301' ' ' GLU . . . . . 0.512 ' H ' ' C ' ' A' ' 299' ' ' VAL . 23.4 tp10 -46.35 -20.23 0.1 Allowed 'General case' 0 N--CA 1.493 1.709 0 N-CA-C 106.912 -1.514 . . . . 0.0 106.912 177.799 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 302' ' ' PHE . . . . . 0.552 ' N ' ' C ' ' A' ' 300' ' ' SER . 14.2 t80 -72.46 -57.33 4.26 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-N 114.677 -1.147 . . . . 0.0 109.711 178.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 303' ' ' CYS . . . . . 0.429 ' O ' ' OD1' ' A' ' 307' ' ' ASN . 23.5 m -74.84 -26.6 59.82 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.922 -1.111 . . . . 0.0 109.584 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 304' ' ' SER . . . . . 0.406 ' H ' ' HG ' ' A' ' 304' ' ' SER . 4.7 m -60.51 -37.34 80.8 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.361 -0.837 . . . . 0.0 111.233 -178.781 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . 34.4 mtmt -95.13 -19.01 20.46 Favored 'General case' 0 N--CA 1.506 2.347 0 O-C-N 120.841 -1.162 . . . . 0.0 108.617 178.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 306' ' ' MET . . . . . . . . . . . . . 10.2 ttm -71.7 -22.76 61.6 Favored 'General case' 0 C--N 1.296 -1.743 0 N-CA-C 107.008 -1.478 . . . . 0.0 107.008 177.126 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 307' ' ' ASN . . . . . 0.429 ' OD1' ' O ' ' A' ' 303' ' ' CYS . 5.9 m-20 -79.71 -39.58 30.86 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 106.03 -1.841 . . . . 0.0 106.03 178.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 308' ' ' GLN . . . . . 0.545 ' O ' ' N ' ' A' ' 310' ' ' CYS . 19.2 tt0 -37.4 -39.39 0.29 Allowed 'General case' 0 N--CA 1.506 2.337 0 CA-C-O 121.647 0.736 . . . . 0.0 109.022 178.071 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 309' ' ' VAL . . . . . . . . . . . . . 21.9 t -46.47 -13.4 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.5 2.027 0 C-N-CA 120.184 -0.607 . . . . 0.0 109.366 179.039 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 310' ' ' CYS . . . . . 0.545 ' N ' ' O ' ' A' ' 308' ' ' GLN . 5.4 t -84.71 -62.16 1.61 Allowed 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.524 -0.735 . . . . 0.0 109.618 179.215 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 311' ' ' GLY . . . . . . . . . . . . . . . -108.17 133.32 11.59 Favored Glycine 0 N--CA 1.498 2.8 0 N-CA-C 109.607 -1.397 . . . . 0.0 109.607 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 312' ' ' THR . . . . . . . . . . . . . 56.0 m -80.78 89.72 5.81 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.299 -1.118 . . . . 0.0 109.295 179.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 313' ' ' ARG . . . . . . . . . . . . . 1.8 ttt-85 . . . . . 0 N--CA 1.49 1.53 0 CA-C-O 117.904 -1.046 . . . . 0.0 109.499 -179.855 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 565' ' ' ASN . . . . . . . . . . . . . 17.1 m120 . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 566' ' ' GLY . . . . . 0.452 ' O ' ' N ' ' B' ' 568' ' ' SER . . . 179.34 69.83 0.07 OUTLIER Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.543 -1.423 . . . . 0.0 109.543 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 567' ' ' SER . . . . . . . . . . . . . 88.1 p -70.56 54.9 0.16 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.315 -1.109 . . . . 0.0 109.491 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 568' ' ' SER . . . . . 0.452 ' N ' ' O ' ' B' ' 566' ' ' GLY . 75.0 m -66.14 -92.66 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.249 -0.907 . . . . 0.0 109.424 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 569' ' ' LEU . . . . . . . . . . . . . 14.4 mt -71.57 110.56 6.22 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.258 -0.901 . . . . 0.0 109.449 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 570' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -68.18 -85.59 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.273 -0.892 . . . . 0.0 109.45 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 571' ' ' ASN . . . . . . . . . . . . . 68.0 m-20 52.3 46.65 26.26 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.302 -0.874 . . . . 0.0 109.469 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -171.26 -56.02 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.25 -0.906 . . . . 0.0 109.449 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 573' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 53.09 -162.55 0.1 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.163 -0.961 . . . . 0.0 109.474 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 574' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -70.44 -36.64 74.07 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.33 -0.857 . . . . 0.0 109.389 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 575' ' ' ILE . . . . . . . . . . . . . 16.1 tt -171.77 161.06 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.335 -0.853 . . . . 0.0 109.487 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 576' ' ' ASN . . . . . . . . . . . . . 18.0 p30 -158.4 -158.19 0.69 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.295 -0.878 . . . . 0.0 109.344 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 577' ' ' ASN . . . . . 0.455 ' C ' ' H ' ' B' ' 579' ' ' ASN . 29.5 t-20 -162.64 142.36 9.33 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.168 -0.958 . . . . 0.0 109.553 179.765 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 578' ' ' GLY . . . . . . . . . . . . . . . -74.17 37.28 0.94 Allowed Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.443 -1.463 . . . . 0.0 109.443 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 579' ' ' ASN . . . . . 0.455 ' H ' ' C ' ' B' ' 577' ' ' ASN . 44.9 t30 -64.99 -77.54 0.06 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.23 -1.159 . . . . 0.0 109.557 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 580' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -74.44 49.18 0.37 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.205 -0.934 . . . . 0.0 109.525 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 581' ' ' ASN . . . . . . . . . . . . . 6.2 m120 52.83 16.03 0.63 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.296 -0.877 . . . . 0.0 109.507 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 582' ' ' ASP . . . . . 0.49 ' OD1' ' N ' ' B' ' 583' ' ' ASN . 47.3 t0 54.04 -133.54 1.74 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.298 -0.876 . . . . 0.0 109.494 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 583' ' ' ASN . . . . . 0.49 ' N ' ' OD1' ' B' ' 582' ' ' ASP . 31.2 m120 -69.31 -84.75 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.326 -0.858 . . . . 0.0 109.323 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 584' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -157.21 146.83 20.43 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.275 -0.89 . . . . 0.0 109.42 179.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 585' ' ' ASN . . . . . 0.667 ' N ' HD22 ' B' ' 585' ' ' ASN . 1.0 OUTLIER -77.21 80.08 3.73 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.29 -0.881 . . . . 0.0 109.588 -179.88 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 586' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 52.65 -153.48 0.23 Allowed 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.256 -0.902 . . . . 0.0 109.34 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 587' ' ' VAL . . . . . 0.566 HG22 ' N ' ' B' ' 588' ' ' VAL . 5.6 p -172.8 164.54 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.393 0 O-C-N 121.289 -0.882 . . . . 0.0 108.736 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 588' ' ' VAL . . . . . 0.566 ' N ' HG22 ' B' ' 587' ' ' VAL . 32.5 t -136.58 85.23 25.67 Favored Pre-proline 0 N--CA 1.498 1.932 0 O-C-N 121.753 -0.592 . . . . 0.0 109.624 -179.38 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 589' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -64.52 156.53 60.17 Favored 'Trans proline' 0 C--N 1.32 -0.924 0 C-N-CA 121.183 1.255 . . . . 0.0 109.788 -179.482 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 590' ' ' SER . . . . . 0.516 ' C ' ' H ' ' B' ' 592' ' ' GLU . 66.9 m -165.64 177.9 7.02 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.17 -0.956 . . . . 0.0 109.637 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 591' ' ' LYS . . . . . . . . . . . . . 41.4 tttp 65.55 -10.36 0.21 Allowed 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.556 -0.715 . . . . 0.0 110.077 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 592' ' ' GLU . . . . . 0.516 ' H ' ' C ' ' B' ' 590' ' ' SER . 28.7 tt0 43.79 54.13 5.78 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.369 -0.832 . . . . 0.0 110.024 179.741 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 593' ' ' GLY . . . . . 0.426 ' O ' ' O ' ' B' ' 592' ' ' GLU . . . 62.75 138.45 0.01 OUTLIER Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.426 -1.47 . . . . 0.0 109.426 -179.808 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 594' ' ' SER . . . . . 0.413 ' C ' HD22 ' B' ' 595' ' ' LEU . 61.6 m -77.83 166.85 22.4 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.152 -1.205 . . . . 0.0 110.227 -179.765 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 595' ' ' LEU . . . . . 0.711 HD22 ' N ' ' B' ' 595' ' ' LEU . 3.1 mm? -93.22 119.7 32.69 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 596' ' ' LEU . . . . . 0.773 HD11 ' HB2' ' B' ' 638' ' ' ALA . 0.2 OUTLIER -127.75 158.33 37.95 Favored 'General case' 0 N--CA 1.508 2.438 0 O-C-N 121.297 -0.877 . . . . 0.0 109.626 -179.833 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 597' ' ' ARG . . . . . 0.504 HH11 ' CG ' ' B' ' 597' ' ' ARG . 0.1 OUTLIER -100.91 -144.83 0.34 Allowed 'General case' 0 N--CA 1.5 2.058 0 O-C-N 121.39 -0.819 . . . . 0.0 110.448 -179.046 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 598' ' ' CYS . . . . . 0.497 ' O ' ' N ' ' B' ' 600' ' ' GLU . 4.6 p -81.98 -95.77 0.05 OUTLIER 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.359 -0.838 . . . . 0.0 110.948 -178.433 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 599' ' ' SER . . . . . 0.476 ' O ' ' N ' ' B' ' 602' ' ' TRP . 29.0 t -44.4 -21.19 0.04 OUTLIER 'General case' 0 N--CA 1.498 1.967 0 CA-C-O 122.208 1.004 . . . . 0.0 108.981 -179.387 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 600' ' ' GLU . . . . . 0.497 ' N ' ' O ' ' B' ' 598' ' ' CYS . 7.7 tp10 -47.32 -36.0 8.77 Favored 'General case' 0 C--N 1.304 -1.401 0 CA-C-O 122.799 1.285 . . . . 0.0 108.037 178.551 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 601' ' ' ILE . . . . . 0.56 ' O ' ' N ' ' B' ' 604' ' ' ARG . 1.3 mp -72.33 -33.01 44.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.055 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 -178.497 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 602' ' ' TRP . . . . . 0.527 ' CD1' ' OG1' ' B' ' 606' ' ' THR . 52.0 t-105 -45.61 -36.68 4.92 Favored 'General case' 0 N--CA 1.492 1.658 0 N-CA-C 107.323 -1.362 . . . . 0.0 107.323 179.597 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 603' ' ' ASP . . . . . . . . . . . . . 29.4 t0 -70.78 -41.56 71.54 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 107.724 -1.213 . . . . 0.0 107.724 177.464 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 604' ' ' ARG . . . . . 0.56 ' N ' ' O ' ' B' ' 601' ' ' ILE . 18.3 mmt-85 -59.25 -38.42 80.01 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.283 -0.886 . . . . 0.0 109.379 179.076 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 605' ' ' ILE . . . . . . . . . . . . . 73.2 mt -87.19 -50.67 13.69 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.971 0 O-C-N 121.674 -0.641 . . . . 0.0 111.223 -179.409 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 606' ' ' THR . . . . . 0.527 ' OG1' ' CD1' ' B' ' 602' ' ' TRP . 90.2 m -45.37 -30.04 1.22 Allowed 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.08 -1.013 . . . . 0.0 110.651 -178.6 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 607' ' ' THR . . . . . 0.556 HG23 ' N ' ' B' ' 608' ' ' HIS . 14.7 t -54.99 -45.03 74.98 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.075 -1.016 . . . . 0.0 110.388 -179.261 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 608' ' ' HIS . . . . . 0.556 ' N ' HG23 ' B' ' 607' ' ' THR . 89.9 m-70 -59.89 133.8 89.7 Favored Pre-proline 0 N--CA 1.491 1.579 0 O-C-N 121.092 -1.005 . . . . 0.0 109.774 -179.13 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 609' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_endo -64.0 -66.25 0.05 OUTLIER 'Trans proline' 0 C--O 1.214 -0.678 0 C-N-CA 120.848 1.032 . . . . 0.0 109.897 179.198 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 610' ' ' LYS . . . . . 0.478 ' C ' ' N ' ' B' ' 612' ' ' SER . 12.9 mptt -45.48 -64.23 0.77 Allowed 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.329 -0.857 . . . . 0.0 109.598 -179.626 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 611' ' ' TYR . . . . . 0.553 ' CG ' ' O ' ' B' ' 611' ' ' TYR . 12.0 t80 51.58 10.32 0.09 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.25 -0.906 . . . . 0.0 109.03 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 612' ' ' SER . . . . . 0.478 ' N ' ' C ' ' B' ' 610' ' ' LYS . 19.3 m -89.79 -43.88 10.35 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.057 -1.027 . . . . 0.0 109.534 179.646 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 613' ' ' ASP . . . . . 0.479 ' O ' ' O ' ' B' ' 614' ' ' ILE . 3.5 m-20 -61.98 -141.43 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.234 -0.916 . . . . 0.0 109.492 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 614' ' ' ILE . . . . . 0.57 HG22 ' N ' ' B' ' 615' ' ' ASP . 73.9 mt 53.1 165.07 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 O-C-N 121.415 -0.803 . . . . 0.0 110.628 179.105 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 615' ' ' ASP . . . . . 0.57 ' N ' HG22 ' B' ' 614' ' ' ILE . 0.8 OUTLIER -123.87 124.95 43.77 Favored 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 179.542 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 616' ' ' VAL . . . . . . . . . . . . . 82.9 t -78.85 -17.64 13.33 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.355 -0.841 . . . . 0.0 109.394 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 617' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -77.08 -38.29 52.71 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.223 -0.923 . . . . 0.0 110.627 -179.379 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 618' ' ' GLY . . . . . 0.419 ' O ' ' OE1' ' B' ' 622' ' ' GLU . . . -66.38 -42.81 93.7 Favored Glycine 0 N--CA 1.492 2.376 0 N-CA-C 109.699 -1.36 . . . . 0.0 109.699 -179.549 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 619' ' ' LEU . . . . . 0.7 ' N ' HD23 ' B' ' 619' ' ' LEU . 0.1 OUTLIER -63.75 -25.62 68.27 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 107.447 -1.316 . . . . 0.0 107.447 179.46 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 620' ' ' CYS . . . . . 0.423 ' O ' ' CB ' ' B' ' 624' ' ' MET . 10.2 t -68.85 -58.64 3.89 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.387 -0.821 . . . . 0.0 110.989 -179.585 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 16.5 m -76.59 -2.08 30.75 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 120.384 -1.448 . . . . 0.0 110.338 -179.253 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 622' ' ' GLU . . . . . 0.516 ' OE2' ' NE2' ' B' ' 648' ' ' HIS . 47.7 mt-10 -99.28 -47.71 5.08 Favored 'General case' 0 C--N 1.297 -1.714 0 O-C-N 121.218 -0.926 . . . . 0.0 109.306 178.016 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 623' ' ' LEU . . . . . . . . . . . . . 7.0 mp -87.66 -20.78 25.83 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 120.671 -1.268 . . . . 0.0 110.378 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 624' ' ' MET . . . . . 0.423 ' CB ' ' O ' ' B' ' 620' ' ' CYS . 26.6 ttt -71.27 -31.66 67.76 Favored 'General case' 0 N--CA 1.502 2.16 0 O-C-N 120.664 -1.272 . . . . 0.0 112.498 -177.551 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 625' ' ' ALA . . . . . . . . . . . . . . . -102.69 -4.51 24.98 Favored 'General case' 0 N--CA 1.506 2.343 0 O-C-N 120.672 -1.267 . . . . 0.0 109.427 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 626' ' ' LYS . . . . . . . . . . . . . 46.9 mttp -95.1 -12.07 27.14 Favored 'General case' 0 N--CA 1.493 1.694 0 N-CA-C 106.722 -1.584 . . . . 0.0 106.722 176.546 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 627' ' ' ALA . . . . . . . . . . . . . . . -49.37 149.98 1.99 Allowed 'General case' 0 N--CA 1.493 1.702 0 CA-C-O 121.381 0.61 . . . . 0.0 110.683 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 628' ' ' LYS . . . . . . . . . . . . . 7.9 tppt? -124.35 93.28 3.86 Favored 'General case' 0 N--CA 1.499 2.008 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 179.304 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 629' ' ' CYS . . . . . . . . . . . . . 23.5 t -51.02 120.63 5.07 Favored 'General case' 0 N--CA 1.494 1.734 0 CA-C-O 122.355 1.074 . . . . 0.0 111.335 -178.375 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 630' ' ' SER . . . . . . . . . . . . . 23.0 p -143.13 159.29 42.56 Favored 'General case' 0 N--CA 1.493 1.679 0 N-CA-C 107.669 -1.234 . . . . 0.0 107.669 178.466 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 631' ' ' GLU . . . . . 0.466 ' C ' ' H ' ' B' ' 633' ' ' GLY . 43.2 tt0 -61.26 -23.57 65.76 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.401 -1.437 . . . . 0.0 108.688 179.803 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 632' ' ' ARG . . . . . 0.403 ' HB3' HH21 ' B' ' 597' ' ' ARG . 56.6 mtp180 -82.81 27.13 0.55 Allowed 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 107.323 -1.362 . . . . 0.0 107.323 177.823 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 633' ' ' GLY . . . . . 0.466 ' H ' ' C ' ' B' ' 631' ' ' GLU . . . 77.76 -169.62 54.73 Favored Glycine 0 N--CA 1.492 2.367 0 N-CA-C 108.307 -1.917 . . . . 0.0 108.307 -178.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 634' ' ' VAL . . . . . . . . . . . . . 32.8 m -77.94 144.05 11.9 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 O-C-N 120.689 -1.477 . . . . 0.0 109.515 179.506 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 3.7 p -135.09 143.05 38.3 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.19 0 O-C-N 121.016 -1.052 . . . . 0.0 109.644 179.072 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 636' ' ' ILE . . . . . . . . . . . . . 95.4 mt -133.31 152.83 36.2 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 -179.537 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 637' ' ' ASN . . . . . 0.423 ' O ' ' N ' ' B' ' 639' ' ' GLU . 23.5 t-20 -86.52 132.36 33.94 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.224 -0.923 . . . . 0.0 109.419 179.651 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 638' ' ' ALA . . . . . 0.773 ' HB2' HD11 ' B' ' 596' ' ' LEU . . . -50.18 -10.96 0.06 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.735 -0.603 . . . . 0.0 110.587 -179.543 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 639' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' B' ' 637' ' ' ASN . 41.1 tt0 -81.22 -21.88 39.2 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 120.78 -1.2 . . . . 0.0 110.874 -179.268 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 640' ' ' ASP . . . . . . . . . . . . . 51.9 m-20 -84.37 -56.82 3.43 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.187 -1.57 . . . . 0.0 108.088 178.081 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 641' ' ' VAL . . . . . 0.656 HG13 ' N ' ' B' ' 642' ' ' GLN . 7.6 p -51.54 -56.17 6.33 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 120.96 -1.088 . . . . 0.0 108.494 177.779 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 642' ' ' GLN . . . . . 0.656 ' N ' HG13 ' B' ' 641' ' ' VAL . 24.0 mm100 -48.45 -35.73 13.51 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.933 -1.104 . . . . 0.0 109.442 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 643' ' ' LEU . . . . . . . . . . . . . 35.5 tp -77.64 -21.59 51.98 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.147 -0.971 . . . . 0.0 108.549 178.273 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 644' ' ' ALA . . . . . 0.51 ' N ' ' O ' ' B' ' 641' ' ' VAL . . . -88.34 -46.88 8.82 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.939 -1.101 . . . . 0.0 109.36 178.44 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 645' ' ' LEU . . . . . 0.415 HD23 HD22 ' B' ' 619' ' ' LEU . 97.5 mt -66.82 -27.59 67.69 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.958 -1.089 . . . . 0.0 110.032 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 646' ' ' ASN . . . . . 0.406 ' ND2' ' O ' ' B' ' 646' ' ' ASN . 3.3 t30 -88.67 -8.04 55.3 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 120.887 -1.133 . . . . 0.0 109.32 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 647' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -97.6 -8.68 28.42 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.199 -0.938 . . . . 0.0 109.314 179.615 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 648' ' ' HIS . . . . . 0.516 ' NE2' ' OE2' ' B' ' 622' ' ' GLU . 9.9 m-70 -114.04 12.54 17.97 Favored 'General case' 0 N--CA 1.5 2.06 0 O-C-N 121.456 -0.778 . . . . 0.0 109.831 -179.731 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 649' ' ' MET . . . . . . . . . . . . . 6.8 mmt -96.25 144.13 26.71 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.126 -0.984 . . . . 0.0 109.329 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 650' ' ' ASN . . . . . . . . . . . . . 25.9 p-10 . . . . . 0 N--CA 1.49 1.554 0 CA-C-O 118.019 -0.991 . . . . 0.0 109.406 -179.983 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 279' ' ' ASN . . . . . . . . . . . . . 1.6 p30 . . . . . 0 N--CA 1.49 1.573 0 CA-C-O 121.31 0.576 . . . . 0.0 109.51 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . 13.7 mt 54.56 52.61 11.99 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.231 -0.918 . . . . 0.0 109.514 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 281' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 52.62 96.13 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.273 -0.892 . . . . 0.0 109.461 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 282' ' ' SER . . . . . . . . . . . . . 40.4 t -169.98 73.37 0.07 Allowed 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.259 -0.901 . . . . 0.0 109.513 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 283' ' ' ASN . . . . . 0.455 ' O ' ' CD2' ' A' ' 285' ' ' PHE . 58.3 t-20 52.32 74.87 0.25 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.237 -0.915 . . . . 0.0 109.466 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 284' ' ' MET . . . . . . . . . . . . . 34.6 ttp -74.33 4.05 6.42 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.178 -0.951 . . . . 0.0 109.278 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 285' ' ' PHE . . . . . 0.455 ' CD2' ' O ' ' A' ' 283' ' ' ASN . 93.0 m-85 51.72 25.28 2.8 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.159 -0.963 . . . . 0.0 109.538 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 286' ' ' SER . . . . . . . . . . . . . 13.1 t 48.42 39.59 13.02 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.225 -0.922 . . . . 0.0 109.459 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 287' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -63.65 126.91 29.11 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.203 -0.936 . . . . 0.0 109.348 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 288' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -170.64 -76.51 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.249 -0.907 . . . . 0.0 109.487 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 289' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -69.13 -64.58 0.84 Allowed 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.269 -0.894 . . . . 0.0 109.587 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 290' ' ' ASN . . . . . . . . . . . . . 72.4 m-80 -157.06 141.15 16.31 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.19 -0.944 . . . . 0.0 109.596 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 291' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -75.88 -50.62 14.53 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.188 -0.945 . . . . 0.0 109.539 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 292' ' ' GLU . . . . . 0.601 ' CD ' ' H ' ' A' ' 292' ' ' GLU . 7.8 pm0 -49.66 -29.61 7.62 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.2 -0.937 . . . . 0.0 109.536 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 293' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -90.4 -41.59 11.39 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.239 -0.913 . . . . 0.0 109.63 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 294' ' ' GLN . . . . . . . . . . . . . 52.1 tp60 -75.84 131.35 39.66 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.26 -0.9 . . . . 0.0 109.569 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 295' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -85.82 -82.47 0.19 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.28 -0.888 . . . . 0.0 109.744 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . 29.4 t0 -171.59 110.1 0.29 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.104 -0.998 . . . . 0.0 109.399 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 297' ' ' GLU . . . . . . . . . . . . . 58.0 tt0 -45.6 130.42 8.9 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.41 -0.806 . . . . 0.0 109.942 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 298' ' ' GLN . . . . . . . . . . . . . 10.0 tp-100 -163.16 -22.58 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.369 -0.832 . . . . 0.0 109.103 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 299' ' ' VAL . . . . . 0.535 HG23 ' H ' ' A' ' 300' ' ' SER . 1.2 m -53.83 -100.51 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 O-C-N 121.407 -0.808 . . . . 0.0 109.874 179.689 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 300' ' ' SER . . . . . 0.569 ' C ' ' N ' ' A' ' 302' ' ' PHE . 19.6 m 52.94 18.59 1.11 Allowed 'General case' 0 C--N 1.292 -1.896 0 N-CA-C 107.748 -1.204 . . . . 0.0 107.748 -177.172 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 301' ' ' GLU . . . . . 0.44 ' N ' ' C ' ' A' ' 299' ' ' VAL . 7.0 pt-20 -44.73 -23.0 0.1 Allowed 'General case' 0 N--CA 1.496 1.845 0 N-CA-C 106.3 -1.741 . . . . 0.0 106.3 177.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 302' ' ' PHE . . . . . 0.569 ' N ' ' C ' ' A' ' 300' ' ' SER . 19.9 t80 -69.58 -65.37 0.72 Allowed 'General case' 0 C--N 1.299 -1.619 0 CA-C-N 113.387 -1.733 . . . . 0.0 110.024 178.834 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 303' ' ' CYS . . . . . . . . . . . . . 8.5 t -66.71 -51.18 58.93 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.086 -1.009 . . . . 0.0 110.26 -179.515 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 36.0 t -51.52 -25.71 7.12 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.353 -0.842 . . . . 0.0 111.808 -178.519 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -100.23 -14.04 18.64 Favored 'General case' 0 N--CA 1.508 2.452 0 O-C-N 120.806 -1.184 . . . . 0.0 109.12 178.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 306' ' ' MET . . . . . 0.51 ' SD ' ' CE2' ' A' ' 302' ' ' PHE . 12.0 mtp -74.86 -25.24 58.84 Favored 'General case' 0 C--N 1.297 -1.688 0 N-CA-C 106.779 -1.563 . . . . 0.0 106.779 177.197 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 307' ' ' ASN . . . . . 0.461 ' O ' ' C ' ' A' ' 308' ' ' GLN . 0.7 OUTLIER -81.51 -42.85 19.63 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 106.246 -1.761 . . . . 0.0 106.246 179.083 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 308' ' ' GLN . . . . . 0.519 ' O ' ' N ' ' A' ' 310' ' ' CYS . 19.0 mt-30 -35.56 -40.51 0.17 Allowed 'General case' 0 N--CA 1.508 2.452 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 178.563 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 309' ' ' VAL . . . . . 0.42 HG23 ' H ' ' A' ' 309' ' ' VAL . 16.6 t -45.05 -17.64 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.885 0 CA-C-O 121.727 0.775 . . . . 0.0 109.412 178.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 310' ' ' CYS . . . . . 0.519 ' N ' ' O ' ' A' ' 308' ' ' GLN . 13.7 m -83.42 -52.13 6.78 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 179.778 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 311' ' ' GLY . . . . . . . . . . . . . . . -63.96 131.21 39.61 Favored Glycine 0 N--CA 1.49 2.247 0 N-CA-C 109.535 -1.426 . . . . 0.0 109.535 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 312' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -129.47 91.39 3.16 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.479 -1.012 . . . . 0.0 109.279 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 313' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 . . . . . 0 N--CA 1.491 1.608 0 CA-C-O 117.997 -1.002 . . . . 0.0 109.436 179.949 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 565' ' ' ASN . . . . . . . . . . . . . 16.7 m120 . . . . . 0 N--CA 1.491 1.596 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 566' ' ' GLY . . . . . . . . . . . . . . . 179.21 104.39 0.18 Allowed Glycine 0 N--CA 1.49 2.257 0 N-CA-C 109.517 -1.433 . . . . 0.0 109.517 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 567' ' ' SER . . . . . . . . . . . . . 30.5 t -171.39 85.03 0.08 Allowed 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.227 -1.16 . . . . 0.0 109.421 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 568' ' ' SER . . . . . . . . . . . . . 77.3 p -169.96 50.4 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.21 -0.931 . . . . 0.0 109.497 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 569' ' ' LEU . . . . . . . . . . . . . 16.0 mt -69.36 -70.03 0.3 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.332 -0.855 . . . . 0.0 109.442 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 570' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -65.82 -163.07 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.261 -0.899 . . . . 0.0 109.449 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 571' ' ' ASN . . . . . 0.424 ' OD1' ' N ' ' B' ' 571' ' ' ASN . 15.7 p-10 -167.28 84.23 0.23 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.279 -0.888 . . . . 0.0 109.401 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -168.77 89.25 0.22 Allowed 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.232 -0.917 . . . . 0.0 109.473 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 573' ' ' ASP . . . . . 0.472 ' CG ' ' H ' ' B' ' 574' ' ' LYS . 2.6 p-10 -64.88 -100.91 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.325 -0.86 . . . . 0.0 109.406 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 574' ' ' LYS . . . . . 0.472 ' H ' ' CG ' ' B' ' 573' ' ' ASP . 37.0 mtmt 54.99 74.53 0.35 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.202 -0.937 . . . . 0.0 109.463 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 575' ' ' ILE . . . . . 0.417 ' O ' ' OD1' ' B' ' 576' ' ' ASN . 15.2 mm 55.27 61.28 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.229 -0.919 . . . . 0.0 109.505 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 576' ' ' ASN . . . . . 0.417 ' OD1' ' O ' ' B' ' 575' ' ' ILE . 80.7 m-20 -158.39 141.68 15.02 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.195 -0.941 . . . . 0.0 109.418 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 577' ' ' ASN . . . . . . . . . . . . . 69.4 m-80 -67.25 164.08 19.09 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.268 -0.895 . . . . 0.0 109.455 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 578' ' ' GLY . . . . . . . . . . . . . . . 176.43 26.46 0.03 OUTLIER Glycine 0 N--CA 1.491 2.327 0 N-CA-C 109.553 -1.419 . . . . 0.0 109.553 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 579' ' ' ASN . . . . . 0.483 ' O ' ' N ' ' B' ' 581' ' ' ASN . 51.6 t30 -169.98 115.39 0.52 Allowed 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.194 -1.18 . . . . 0.0 109.408 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 580' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 50.74 -93.07 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.295 -0.878 . . . . 0.0 109.457 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 581' ' ' ASN . . . . . 0.483 ' N ' ' O ' ' B' ' 579' ' ' ASN . 6.0 t30 -166.94 -72.74 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.265 -0.897 . . . . 0.0 109.431 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 582' ' ' ASP . . . . . 0.479 ' O ' ' ND2' ' B' ' 583' ' ' ASN . 20.6 m-20 -60.91 143.77 54.33 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.249 -0.907 . . . . 0.0 109.476 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 583' ' ' ASN . . . . . 0.479 ' ND2' ' O ' ' B' ' 582' ' ' ASP . 35.7 m120 -157.33 132.34 8.85 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.187 -0.945 . . . . 0.0 109.459 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 584' ' ' ASP . . . . . 0.473 ' N ' ' OD1' ' B' ' 584' ' ' ASP . 1.0 OUTLIER 51.91 179.32 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.236 -0.915 . . . . 0.0 109.529 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 585' ' ' ASN . . . . . . . . . . . . . 34.3 m120 -75.27 119.38 19.3 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.238 -0.914 . . . . 0.0 109.439 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 586' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -171.39 131.45 0.75 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.229 -0.919 . . . . 0.0 109.455 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 587' ' ' VAL . . . . . . . . . . . . . 1.6 m -148.66 112.95 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 121.237 -0.914 . . . . 0.0 109.159 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 588' ' ' VAL . . . . . 0.638 ' N ' ' CD ' ' B' ' 589' ' ' PRO . 1.8 t -85.26 -35.64 0.54 Allowed Pre-proline 0 N--CA 1.49 1.567 0 O-C-N 121.18 -0.95 . . . . 0.0 111.533 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 589' ' ' PRO . . . . . 0.638 ' CD ' ' N ' ' B' ' 588' ' ' VAL . 2.5 Cg_endo -68.22 124.88 12.22 Favored 'Trans proline' 0 C--O 1.215 -0.642 0 C-N-CA 120.749 0.966 . . . . 0.0 109.817 -179.211 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 590' ' ' SER . . . . . . . . . . . . . 30.8 t -65.74 152.27 44.68 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.227 -0.921 . . . . 0.0 109.287 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 591' ' ' LYS . . . . . . . . . . . . . 38.9 tptt -165.76 129.83 2.26 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.28 -0.887 . . . . 0.0 109.196 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 64.2 mt-10 -150.54 179.48 8.13 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.235 -0.916 . . . . 0.0 109.114 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 593' ' ' GLY . . . . . . . . . . . . . . . 169.21 44.41 0.03 OUTLIER Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.638 -1.385 . . . . 0.0 109.638 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 594' ' ' SER . . . . . . . . . . . . . 62.3 m -71.32 164.51 25.58 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.171 -1.193 . . . . 0.0 109.915 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 595' ' ' LEU . . . . . 0.543 HD12 ' N ' ' B' ' 595' ' ' LEU . 7.3 mp -88.4 114.29 24.86 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 121.633 -0.667 . . . . 0.0 109.343 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 596' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -126.05 153.71 44.04 Favored 'General case' 0 N--CA 1.502 2.126 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 179.466 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 597' ' ' ARG . . . . . 0.475 ' H ' ' HG3' ' B' ' 600' ' ' GLU . 62.6 mtm180 -101.53 -134.57 0.3 Allowed 'General case' 0 N--CA 1.501 2.118 0 O-C-N 121.277 -0.889 . . . . 0.0 111.611 -177.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 598' ' ' CYS . . . . . 0.522 ' O ' ' N ' ' B' ' 600' ' ' GLU . 6.1 p -84.79 -102.8 0.05 Allowed 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.553 -0.717 . . . . 0.0 111.464 -177.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 599' ' ' SER . . . . . 0.479 ' O ' ' N ' ' B' ' 602' ' ' TRP . 29.5 t -43.53 -19.58 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.911 0 CA-C-O 121.939 0.876 . . . . 0.0 109.681 -178.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 600' ' ' GLU . . . . . 0.522 ' N ' ' O ' ' B' ' 598' ' ' CYS . 55.3 mm-40 -47.25 -37.21 10.12 Favored 'General case' 0 C--N 1.303 -1.446 0 CA-C-O 122.269 1.033 . . . . 0.0 108.563 179.041 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 601' ' ' ILE . . . . . 0.549 ' O ' ' N ' ' B' ' 604' ' ' ARG . 1.3 mp -71.04 -32.62 48.81 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.07 0 N-CA-C 107.783 -1.191 . . . . 0.0 107.783 -178.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 602' ' ' TRP . . . . . 0.479 ' N ' ' O ' ' B' ' 599' ' ' SER . 61.1 t-105 -44.8 -38.44 4.51 Favored 'General case' 0 N--CA 1.493 1.712 0 N-CA-C 107.465 -1.309 . . . . 0.0 107.465 179.493 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 603' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -69.75 -43.14 72.87 Favored 'General case' 0 C--N 1.302 -1.498 0 N-CA-C 107.8 -1.185 . . . . 0.0 107.8 177.522 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 604' ' ' ARG . . . . . 0.549 ' N ' ' O ' ' B' ' 601' ' ' ILE . 20.6 mmm-85 -56.75 -26.89 58.35 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.346 -0.846 . . . . 0.0 109.244 179.111 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 605' ' ' ILE . . . . . . . . . . . . . 81.0 mt -86.02 -45.75 16.89 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.829 0 O-C-N 121.457 -0.777 . . . . 0.0 110.39 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 606' ' ' THR . . . . . . . . . . . . . 21.8 p -49.78 -42.18 46.09 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.972 -1.08 . . . . 0.0 110.17 -179.133 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 607' ' ' THR . . . . . 0.447 ' CG2' ' O ' ' B' ' 604' ' ' ARG . 0.1 OUTLIER -53.91 -46.65 71.52 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.118 -0.988 . . . . 0.0 109.859 -179.487 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 608' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -48.03 109.96 1.27 Allowed Pre-proline 0 N--CA 1.493 1.719 0 O-C-N 121.13 -0.981 . . . . 0.0 109.025 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 609' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -64.0 -30.56 66.61 Favored 'Trans proline' 0 C--O 1.215 -0.653 0 N-CA-C 109.707 -0.92 . . . . 0.0 109.707 -179.181 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 610' ' ' LYS . . . . . 0.491 ' CD ' ' H ' ' B' ' 610' ' ' LYS . 0.0 OUTLIER -82.17 53.6 2.29 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.39 -0.819 . . . . 0.0 109.591 -179.793 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 611' ' ' TYR . . . . . 0.458 ' O ' ' CD2' ' B' ' 611' ' ' TYR . 88.1 t80 -70.45 11.73 0.32 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.307 -0.871 . . . . 0.0 109.34 179.801 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 612' ' ' SER . . . . . 0.477 ' H ' ' C ' ' B' ' 610' ' ' LYS . 94.0 p -43.05 -77.3 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.428 -0.795 . . . . 0.0 110.508 -179.582 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 613' ' ' ASP . . . . . 0.447 ' N ' ' OG ' ' B' ' 612' ' ' SER . 58.8 m-20 -150.79 149.85 30.25 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.091 -1.006 . . . . 0.0 109.849 -179.567 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 614' ' ' ILE . . . . . 0.405 HG22 ' H ' ' B' ' 615' ' ' ASP . 8.5 mt -146.76 -125.01 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 O-C-N 121.406 -0.809 . . . . 0.0 108.947 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 615' ' ' ASP . . . . . 0.405 ' H ' HG22 ' B' ' 614' ' ' ILE . 6.8 m-20 -158.97 95.24 1.27 Allowed 'General case' 0 C--N 1.303 -1.431 0 N-CA-C 107.697 -1.223 . . . . 0.0 107.697 179.663 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 616' ' ' VAL . . . . . . . . . . . . . 26.9 t -82.4 -19.29 10.55 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 121.679 -0.638 . . . . 0.0 110.174 -179.36 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 617' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 -64.88 -45.96 83.79 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.216 -0.928 . . . . 0.0 110.802 -178.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 618' ' ' GLY . . . . . . . . . . . . . . . -66.31 -36.15 91.29 Favored Glycine 0 N--CA 1.494 2.524 0 C-N-CA 119.875 -1.155 . . . . 0.0 110.506 -179.036 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 619' ' ' LEU . . . . . . . . . . . . . 2.7 mt -65.91 -21.32 66.44 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.929 -1.336 . . . . 0.0 108.144 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 620' ' ' CYS . . . . . . . . . . . . . 13.9 t -69.15 -52.44 28.11 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.583 -0.698 . . . . 0.0 110.14 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 97.7 p -83.91 -1.49 54.63 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 120.706 -1.246 . . . . 0.0 110.166 -179.587 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 622' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -100.24 -47.21 5.03 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.04 -1.037 . . . . 0.0 109.629 178.639 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 623' ' ' LEU . . . . . 0.408 HD12 ' N ' ' B' ' 623' ' ' LEU . 10.0 mp -85.42 -18.81 32.56 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 120.819 -1.176 . . . . 0.0 110.067 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 624' ' ' MET . . . . . . . . . . . . . 24.6 ttt -72.87 -26.63 61.52 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.736 -1.227 . . . . 0.0 111.23 -178.675 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 625' ' ' ALA . . . . . . . . . . . . . . . -105.52 -26.77 11.76 Favored 'General case' 0 N--CA 1.504 2.231 0 O-C-N 120.887 -1.133 . . . . 0.0 109.471 179.706 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 626' ' ' LYS . . . . . . . . . . . . . 35.6 mmtm -65.15 -12.79 54.78 Favored 'General case' 0 C--N 1.3 -1.57 0 N-CA-C 106.243 -1.762 . . . . 0.0 106.243 177.017 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 627' ' ' ALA . . . . . . . . . . . . . . . -46.4 140.8 3.94 Favored 'General case' 0 N--CA 1.492 1.669 0 CA-C-N 114.979 -1.01 . . . . 0.0 111.421 -179.688 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 628' ' ' LYS . . . . . . . . . . . . . 79.0 mttt -119.0 96.36 5.21 Favored 'General case' 0 N--CA 1.498 1.927 0 N-CA-C 108.15 -1.056 . . . . 0.0 108.15 178.461 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 629' ' ' CYS . . . . . . . . . . . . . 38.9 t -54.98 116.32 2.69 Favored 'General case' 0 N--CA 1.493 1.716 0 CA-C-O 122.333 1.063 . . . . 0.0 111.9 -178.19 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 630' ' ' SER . . . . . . . . . . . . . 47.1 t -142.89 158.92 43.15 Favored 'General case' 0 N--CA 1.496 1.866 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 178.281 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 631' ' ' GLU . . . . . 0.524 ' C ' ' H ' ' B' ' 633' ' ' GLY . 9.9 mm-40 -64.21 -22.98 67.15 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.26 -1.525 . . . . 0.0 109.249 -179.763 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 632' ' ' ARG . . . . . 0.585 ' CG ' HH11 ' B' ' 632' ' ' ARG . 0.2 OUTLIER -78.06 33.61 0.19 Allowed 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 107.498 -1.297 . . . . 0.0 107.498 177.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 633' ' ' GLY . . . . . 0.524 ' H ' ' C ' ' B' ' 631' ' ' GLU . . . 71.37 -170.13 48.57 Favored Glycine 0 N--CA 1.489 2.169 0 N-CA-C 107.176 -2.37 . . . . 0.0 107.176 -178.329 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 634' ' ' VAL . . . . . . . . . . . . . 7.7 p -77.85 141.95 14.83 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.43 0 O-C-N 120.235 -1.744 . . . . 0.0 109.649 179.68 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 34.6 m -136.07 138.52 47.21 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.029 0 O-C-N 121.104 -0.997 . . . . 0.0 108.93 178.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 636' ' ' ILE . . . . . 0.407 HG22 ' N ' ' B' ' 637' ' ' ASN . 92.6 mt -133.38 154.73 39.57 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.856 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 -179.475 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 637' ' ' ASN . . . . . 0.523 ' O ' ' N ' ' B' ' 639' ' ' GLU . 16.9 m120 -87.56 133.88 33.72 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.162 -0.962 . . . . 0.0 110.119 -179.578 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -47.68 -9.55 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.713 -0.617 . . . . 0.0 110.585 179.472 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 639' ' ' GLU . . . . . 0.523 ' N ' ' O ' ' B' ' 637' ' ' ASN . 40.1 tt0 -76.62 -19.86 57.36 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.026 -1.046 . . . . 0.0 110.077 179.363 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 640' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -87.04 -49.14 7.53 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 120.249 -1.532 . . . . 0.0 109.417 178.218 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 641' ' ' VAL . . . . . 0.412 HG12 ' H ' ' B' ' 641' ' ' VAL . 0.7 OUTLIER -62.88 -49.47 83.5 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 120.699 -1.25 . . . . 0.0 109.195 179.291 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 642' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.67 -36.35 69.48 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.795 -1.191 . . . . 0.0 109.877 -179.316 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 643' ' ' LEU . . . . . 0.545 ' O ' HD23 ' B' ' 643' ' ' LEU . 1.0 OUTLIER -79.16 -17.91 54.09 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.886 -1.134 . . . . 0.0 108.505 178.464 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 644' ' ' ALA . . . . . . . . . . . . . . . -87.98 -54.35 4.27 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.791 -1.193 . . . . 0.0 109.298 178.366 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 645' ' ' LEU . . . . . . . . . . . . . 77.4 mt -61.89 -24.69 67.1 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.162 -0.961 . . . . 0.0 110.475 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 646' ' ' ASN . . . . . 0.413 ' OD1' ' N ' ' B' ' 647' ' ' LYS . 43.8 p-10 -92.56 -10.43 37.64 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 120.778 -1.201 . . . . 0.0 109.944 -179.807 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 647' ' ' LYS . . . . . 0.427 ' CB ' ' HZ2' ' B' ' 647' ' ' LYS . 7.6 ttpm? -103.55 -11.74 17.56 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.36 -0.838 . . . . 0.0 109.497 -179.715 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 648' ' ' HIS . . . . . . . . . . . . . 81.8 m-70 -111.56 6.09 19.84 Favored 'General case' 0 N--CA 1.496 1.857 0 N-CA-C 108.949 -0.759 . . . . 0.0 108.949 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 649' ' ' MET . . . . . . . . . . . . . 34.4 ttm -96.53 129.5 43.89 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.421 -0.799 . . . . 0.0 109.522 -179.709 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 650' ' ' ASN . . . . . 0.448 HD22 ' C ' ' B' ' 650' ' ' ASN . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.549 0 CA-C-O 117.942 -1.027 . . . . 0.0 109.474 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 279' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 . . . . . 0 N--CA 1.492 1.625 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 280' ' ' LEU . . . . . 0.581 HD12 ' N ' ' A' ' 280' ' ' LEU . 8.2 mp -73.81 90.59 1.89 Allowed 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.278 -0.889 . . . . 0.0 109.366 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 281' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -77.96 -143.81 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.27 -0.894 . . . . 0.0 109.495 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 282' ' ' SER . . . . . . . . . . . . . 10.5 m 52.98 -131.57 2.1 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.225 -0.922 . . . . 0.0 109.463 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 283' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 53.56 33.73 16.96 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.285 -0.884 . . . . 0.0 109.472 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 284' ' ' MET . . . . . 0.404 ' HG2' ' H ' ' A' ' 284' ' ' MET . 4.2 ptt? -80.25 126.27 30.91 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.264 -0.897 . . . . 0.0 109.466 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 285' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 49.08 -167.37 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.239 -0.913 . . . . 0.0 109.546 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 286' ' ' SER . . . . . . . . . . . . . 51.8 m -61.18 154.75 22.5 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.226 -0.921 . . . . 0.0 109.522 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 287' ' ' ASN . . . . . . . . . . . . . 32.3 m120 -71.65 -134.39 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.273 -0.892 . . . . 0.0 109.475 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 288' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -158.07 20.87 0.25 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.253 -0.905 . . . . 0.0 109.593 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 289' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -64.54 -79.73 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.153 -0.967 . . . . 0.0 109.487 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 290' ' ' ASN . . . . . 0.643 HD22 ' N ' ' A' ' 290' ' ' ASN . 1.0 OUTLIER -60.83 -171.72 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.28 -0.887 . . . . 0.0 109.479 179.924 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 291' ' ' PHE . . . . . 0.526 ' O ' ' CD2' ' A' ' 291' ' ' PHE . 71.7 t80 -170.02 -3.49 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.286 -0.884 . . . . 0.0 109.492 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 292' ' ' GLU . . . . . . . . . . . . . 61.2 tt0 -71.84 -65.56 0.75 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.204 -0.935 . . . . 0.0 109.515 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 293' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -70.17 146.64 50.64 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.271 -0.893 . . . . 0.0 109.466 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 294' ' ' GLN . . . . . 0.427 ' N ' ' CD ' ' A' ' 294' ' ' GLN . 27.7 mp0 -84.66 85.59 7.42 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.283 -0.885 . . . . 0.0 109.748 -179.806 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 295' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -78.34 133.04 37.65 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.223 -0.923 . . . . 0.0 109.434 179.672 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -169.91 86.87 0.14 Allowed 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.368 -0.832 . . . . 0.0 109.523 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 297' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -79.73 39.15 0.41 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.256 -0.902 . . . . 0.0 109.37 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 298' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -75.21 -11.83 60.16 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.289 -0.882 . . . . 0.0 109.48 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 299' ' ' VAL . . . . . 0.522 ' C ' ' H ' ' A' ' 301' ' ' GLU . 7.4 m -87.84 66.72 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 121.191 -0.943 . . . . 0.0 109.712 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 300' ' ' SER . . . . . 0.495 ' C ' ' N ' ' A' ' 302' ' ' PHE . 4.3 m -74.18 30.54 0.08 Allowed 'General case' 0 C--N 1.29 -1.987 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 178.386 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 301' ' ' GLU . . . . . 0.522 ' H ' ' C ' ' A' ' 299' ' ' VAL . 14.5 pt-20 -44.49 -25.99 0.31 Allowed 'General case' 0 N--CA 1.494 1.75 0 N-CA-C 107.051 -1.463 . . . . 0.0 107.051 178.495 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 302' ' ' PHE . . . . . 0.495 ' N ' ' C ' ' A' ' 300' ' ' SER . 68.5 t80 -73.89 -66.26 0.73 Allowed 'General case' 0 C--N 1.302 -1.488 0 CA-C-N 114.588 -1.187 . . . . 0.0 109.812 178.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 303' ' ' CYS . . . . . 0.407 ' O ' ' N ' ' A' ' 306' ' ' MET . 4.4 t -67.07 -49.71 64.18 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.182 -0.949 . . . . 0.0 108.874 179.685 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 304' ' ' SER . . . . . 0.468 ' N ' ' O ' ' A' ' 300' ' ' SER . 35.5 t -50.09 -24.57 2.78 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.394 -0.816 . . . . 0.0 110.104 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 305' ' ' LYS . . . . . 0.429 ' HB3' ' HZ2' ' A' ' 305' ' ' LYS . 16.6 ttpp -101.22 -14.21 17.79 Favored 'General case' 0 N--CA 1.502 2.13 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 178.063 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 306' ' ' MET . . . . . 0.407 ' N ' ' O ' ' A' ' 303' ' ' CYS . 3.9 tpp -72.88 -25.07 60.95 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 107.262 -1.384 . . . . 0.0 107.262 177.238 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 307' ' ' ASN . . . . . 0.449 ' O ' ' C ' ' A' ' 308' ' ' GLN . 1.2 t30 -87.34 -40.79 14.14 Favored 'General case' 0 N--CA 1.494 1.756 0 N-CA-C 106.436 -1.69 . . . . 0.0 106.436 178.539 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 308' ' ' GLN . . . . . 0.522 ' O ' ' N ' ' A' ' 310' ' ' CYS . 32.9 tt0 -34.92 -40.35 0.11 Allowed 'General case' 0 N--CA 1.504 2.229 0 CA-C-O 121.337 0.589 . . . . 0.0 109.656 178.539 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 309' ' ' VAL . . . . . 0.612 HG21 ' O ' ' B' ' 624' ' ' MET . 53.0 t -46.48 -14.92 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.857 0 CA-C-O 121.667 0.746 . . . . 0.0 109.444 179.217 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 310' ' ' CYS . . . . . 0.522 ' N ' ' O ' ' A' ' 308' ' ' GLN . 3.3 m -86.03 22.93 1.6 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.469 -0.769 . . . . 0.0 109.18 179.234 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 311' ' ' GLY . . . . . . . . . . . . . . . -88.78 116.76 4.71 Favored Glycine 0 N--CA 1.494 2.543 0 N-CA-C 109.404 -1.478 . . . . 0.0 109.404 179.624 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 312' ' ' THR . . . . . . . . . . . . . 25.1 m -82.49 148.41 28.14 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.241 -1.152 . . . . 0.0 109.657 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 313' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 . . . . . 0 N--CA 1.491 1.591 0 CA-C-O 118.1 -0.952 . . . . 0.0 109.472 179.879 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 565' ' ' ASN . . . . . . . . . . . . . 20.6 m120 . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 566' ' ' GLY . . . . . . . . . . . . . . . -178.73 94.42 0.09 OUTLIER Glycine 0 N--CA 1.491 2.336 0 N-CA-C 109.553 -1.419 . . . . 0.0 109.553 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 567' ' ' SER . . . . . . . . . . . . . 80.6 p -64.82 -173.29 0.1 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.301 -1.117 . . . . 0.0 109.48 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 568' ' ' SER . . . . . . . . . . . . . 43.9 t -169.4 162.7 10.4 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.223 -0.923 . . . . 0.0 109.388 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 569' ' ' LEU . . . . . . . . . . . . . 18.1 mt -71.12 -75.27 0.13 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.265 -0.897 . . . . 0.0 109.527 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 570' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 -86.4 175.11 8.58 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.241 -0.912 . . . . 0.0 109.408 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 571' ' ' ASN . . . . . . . . . . . . . 27.8 m120 -158.2 -162.77 1.18 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.279 -0.888 . . . . 0.0 109.39 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 572' ' ' ALA . . . . . 0.417 ' C ' ' H ' ' B' ' 574' ' ' LYS . . . -171.77 72.04 0.05 OUTLIER 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.194 -0.941 . . . . 0.0 109.332 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 573' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -79.25 30.68 0.22 Allowed 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.279 -0.888 . . . . 0.0 109.093 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 574' ' ' LYS . . . . . 0.539 ' O ' ' N ' ' B' ' 576' ' ' ASN . 19.5 ptmt -73.07 132.38 43.27 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.392 -0.818 . . . . 0.0 109.501 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 575' ' ' ILE . . . . . . . . . . . . . 14.9 mm 58.31 -78.75 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.531 -0.73 . . . . 0.0 109.652 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 576' ' ' ASN . . . . . 0.539 ' N ' ' O ' ' B' ' 574' ' ' LYS . 43.5 t30 -65.87 155.49 36.22 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.148 -0.97 . . . . 0.0 109.539 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 577' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -74.09 31.17 0.08 Allowed 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.41 -0.806 . . . . 0.0 109.52 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 578' ' ' GLY . . . . . 0.477 ' H ' ' C ' ' B' ' 576' ' ' ASN . . . 69.28 -77.79 0.32 Allowed Glycine 0 N--CA 1.491 2.319 0 N-CA-C 109.509 -1.436 . . . . 0.0 109.509 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 579' ' ' ASN . . . . . 0.404 ' OD1' ' N ' ' B' ' 580' ' ' ASP . 13.0 t-20 54.77 -138.87 1.05 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.251 -1.146 . . . . 0.0 109.389 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 580' ' ' ASP . . . . . 0.404 ' N ' ' OD1' ' B' ' 579' ' ' ASN . 48.1 m-20 -158.08 162.95 38.09 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.173 -0.954 . . . . 0.0 109.543 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 581' ' ' ASN . . . . . . . . . . . . . 65.2 m-20 -69.8 -162.57 0.05 Allowed 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.267 -0.896 . . . . 0.0 109.468 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 582' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -171.18 -157.31 0.13 Allowed 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.286 -0.884 . . . . 0.0 109.482 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 583' ' ' ASN . . . . . . . . . . . . . 8.2 p-10 -163.54 142.43 8.07 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.164 -0.96 . . . . 0.0 109.472 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 584' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -73.47 126.96 31.41 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.219 -0.925 . . . . 0.0 109.462 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 585' ' ' ASN . . . . . . . . . . . . . 8.3 p-10 -172.07 -10.27 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.262 -0.899 . . . . 0.0 109.452 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 586' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -79.86 169.42 17.93 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.303 -0.873 . . . . 0.0 109.551 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 587' ' ' VAL . . . . . . . . . . . . . 3.3 t 53.2 -126.66 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.306 -1.289 0 O-C-N 121.271 -0.893 . . . . 0.0 108.993 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 588' ' ' VAL . . . . . 0.656 HG22 ' O ' ' B' ' 588' ' ' VAL . 2.1 p -175.43 70.09 0.27 Allowed Pre-proline 0 C--N 1.284 -2.279 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 589' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_exo -62.14 127.07 20.14 Favored 'Trans proline' 0 C--N 1.316 -1.172 0 C-N-CA 121.326 1.351 . . . . 0.0 109.71 -179.63 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 590' ' ' SER . . . . . 0.443 ' OG ' ' N ' ' B' ' 591' ' ' LYS . 47.9 t -73.04 -157.46 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.24 -0.912 . . . . 0.0 109.59 -179.799 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 591' ' ' LYS . . . . . 0.443 ' N ' ' OG ' ' B' ' 590' ' ' SER . 84.1 tttt -69.16 96.09 0.8 Allowed 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.262 -0.899 . . . . 0.0 109.406 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 592' ' ' GLU . . . . . 0.558 ' CD ' ' H ' ' B' ' 592' ' ' GLU . 0.0 OUTLIER -64.88 169.2 5.41 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.217 -0.927 . . . . 0.0 109.655 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 593' ' ' GLY . . . . . . . . . . . . . . . 68.8 81.44 0.2 Allowed Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.517 -1.433 . . . . 0.0 109.517 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 594' ' ' SER . . . . . . . . . . . . . 72.3 m -90.37 166.01 13.53 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.192 -1.181 . . . . 0.0 110.151 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 595' ' ' LEU . . . . . 0.534 HD22 ' N ' ' B' ' 595' ' ' LEU . 3.8 mm? -96.07 123.46 39.69 Favored 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 179.815 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 596' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -128.18 157.54 40.54 Favored 'General case' 0 N--CA 1.502 2.126 0 O-C-N 121.412 -0.805 . . . . 0.0 109.241 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 597' ' ' ARG . . . . . 0.435 ' H ' ' CB ' ' B' ' 600' ' ' GLU . 48.3 mtm180 -107.42 -147.84 0.41 Allowed 'General case' 0 N--CA 1.503 2.195 0 CA-C-O 121.985 0.897 . . . . 0.0 111.705 -178.046 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 598' ' ' CYS . . . . . 0.61 ' SG ' ' N ' ' B' ' 599' ' ' SER . 6.2 t -70.98 -100.33 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.858 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.011 -178.292 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 599' ' ' SER . . . . . 0.61 ' N ' ' SG ' ' B' ' 598' ' ' CYS . 95.4 p -45.34 -18.31 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.974 0 CA-C-O 122.337 1.065 . . . . 0.0 109.346 -179.335 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 600' ' ' GLU . . . . . 0.511 ' N ' ' O ' ' B' ' 598' ' ' CYS . 2.2 tm-20 -50.51 -40.44 51.44 Favored 'General case' 0 C--N 1.297 -1.711 0 CA-C-O 122.437 1.113 . . . . 0.0 108.684 179.418 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 601' ' ' ILE . . . . . 0.542 ' O ' ' N ' ' B' ' 604' ' ' ARG . 1.1 mp -68.53 -38.23 78.85 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.132 0 C-N-CA 119.949 -0.7 . . . . 0.0 109.184 -177.27 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 602' ' ' TRP . . . . . 0.419 ' C ' ' O ' ' B' ' 601' ' ' ILE . 0.0 OUTLIER -44.73 -38.63 4.56 Favored 'General case' 0 N--CA 1.496 1.829 0 N-CA-C 107.366 -1.346 . . . . 0.0 107.366 -179.77 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 603' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -66.57 -42.75 86.57 Favored 'General case' 0 N--CA 1.486 1.363 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 177.528 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 604' ' ' ARG . . . . . 0.542 ' N ' ' O ' ' B' ' 601' ' ' ILE . 20.8 mmm180 -57.53 -34.65 69.35 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.385 -0.822 . . . . 0.0 109.371 179.129 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 605' ' ' ILE . . . . . . . . . . . . . 82.1 mt -83.29 -46.75 18.55 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.87 0 O-C-N 121.581 -0.7 . . . . 0.0 111.128 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 606' ' ' THR . . . . . 0.531 ' C ' ' H ' ' B' ' 608' ' ' HIS . 57.7 p -61.52 -46.13 91.26 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.476 -1.39 . . . . 0.0 110.393 -178.727 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 607' ' ' THR . . . . . . . . . . . . . 66.6 p -65.11 23.18 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.914 -1.116 . . . . 0.0 111.156 -178.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 608' ' ' HIS . . . . . 0.531 ' H ' ' C ' ' B' ' 606' ' ' THR . 2.9 m80 -124.81 77.63 65.19 Favored Pre-proline 0 N--CA 1.503 2.192 0 O-C-N 121.109 -0.994 . . . . 0.0 110.388 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 609' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_exo -57.04 -2.98 0.58 Allowed 'Trans proline' 0 C--N 1.322 -0.831 0 C-N-CA 121.7 1.6 . . . . 0.0 109.645 178.59 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 610' ' ' LYS . . . . . 0.483 ' H ' ' C ' ' B' ' 608' ' ' HIS . 24.3 mmtp -101.27 50.74 0.86 Allowed 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.404 -0.81 . . . . 0.0 109.381 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 611' ' ' TYR . . . . . 0.453 ' O ' ' OG ' ' B' ' 612' ' ' SER . 0.2 OUTLIER -54.32 -175.11 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 107.719 -1.215 . . . . 0.0 107.719 179.297 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 612' ' ' SER . . . . . 0.453 ' OG ' ' O ' ' B' ' 611' ' ' TYR . 1.5 m 170.62 58.64 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.232 -0.918 . . . . 0.0 108.93 179.731 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 613' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 47.67 70.11 0.46 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.993 -1.067 . . . . 0.0 109.671 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 614' ' ' ILE . . . . . 0.446 HG22 ' H ' ' B' ' 615' ' ' ASP . 5.9 mm -68.22 -133.88 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.156 -0.965 . . . . 0.0 109.202 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 615' ' ' ASP . . . . . 0.446 ' H ' HG22 ' B' ' 614' ' ' ILE . 22.0 t70 -170.26 94.48 0.23 Allowed 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 107.252 -1.388 . . . . 0.0 107.252 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 616' ' ' VAL . . . . . . . . . . . . . 14.4 t -80.8 -29.28 11.57 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.58 0 O-C-N 121.436 -0.79 . . . . 0.0 109.795 -179.205 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 617' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -65.78 -53.34 41.71 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.138 -0.976 . . . . 0.0 110.982 -178.592 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 618' ' ' GLY . . . . . . . . . . . . . . . -66.92 -40.08 93.44 Favored Glycine 0 N--CA 1.493 2.451 0 N-CA-C 109.546 -1.422 . . . . 0.0 109.546 -179.527 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 619' ' ' LEU . . . . . 0.645 HD23 ' C ' ' B' ' 619' ' ' LEU . 0.3 OUTLIER -63.13 -18.08 63.04 Favored 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 107.867 -1.16 . . . . 0.0 107.867 179.431 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 620' ' ' CYS . . . . . 0.468 ' O ' ' CG ' ' B' ' 624' ' ' MET . 10.8 t -74.13 -48.57 28.59 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.114 -0.991 . . . . 0.0 110.949 -179.511 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 21.3 t -82.75 -2.5 54.53 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 120.755 -1.215 . . . . 0.0 109.931 -179.418 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 622' ' ' GLU . . . . . 0.508 ' OE2' ' NE2' ' B' ' 648' ' ' HIS . 84.9 mt-10 -101.87 -42.4 6.16 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.234 -0.916 . . . . 0.0 109.806 178.539 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 623' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -86.36 -24.32 25.86 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 120.646 -1.284 . . . . 0.0 110.114 -179.456 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 624' ' ' MET . . . . . 0.612 ' O ' HG21 ' A' ' 309' ' ' VAL . 3.2 ppp? -76.1 -24.67 55.01 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.782 -1.199 . . . . 0.0 111.943 -177.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 625' ' ' ALA . . . . . . . . . . . . . . . -102.6 -26.41 13.22 Favored 'General case' 0 N--CA 1.505 2.294 0 O-C-N 120.61 -1.306 . . . . 0.0 108.972 179.535 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 626' ' ' LYS . . . . . . . . . . . . . 64.4 mttm -71.73 -9.22 57.96 Favored 'General case' 0 C--N 1.296 -1.724 0 N-CA-C 105.742 -1.947 . . . . 0.0 105.742 176.333 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 627' ' ' ALA . . . . . . . . . . . . . . . -44.56 134.3 5.39 Favored 'General case' 0 N--CA 1.49 1.552 0 CA-C-N 115.008 -0.996 . . . . 0.0 111.481 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 628' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? -98.8 87.89 3.88 Favored 'General case' 0 N--CA 1.493 1.684 0 N-CA-C 107.419 -1.326 . . . . 0.0 107.419 178.033 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 629' ' ' CYS . . . . . . . . . . . . . 49.5 t -57.21 130.35 45.79 Favored 'General case' 0 N--CA 1.491 1.603 0 CA-C-O 122.44 1.114 . . . . 0.0 111.698 -177.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 630' ' ' SER . . . . . . . . . . . . . 5.1 t -142.45 162.69 34.82 Favored 'General case' 0 N--CA 1.493 1.71 0 N-CA-C 107.453 -1.314 . . . . 0.0 107.453 178.715 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 631' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -66.41 -26.46 67.25 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.311 -1.493 . . . . 0.0 109.227 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 65.3 ttt180 -77.72 -16.23 58.59 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 108.226 -1.027 . . . . 0.0 108.226 178.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 633' ' ' GLY . . . . . . . . . . . . . . . 132.67 -176.32 19.52 Favored Glycine 0 N--CA 1.497 2.725 0 N-CA-C 108.564 -1.814 . . . . 0.0 108.564 -179.667 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 634' ' ' VAL . . . . . . . . . . . . . 33.0 m -78.52 161.62 4.25 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.391 0 O-C-N 120.774 -1.427 . . . . 0.0 109.816 179.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 2.6 t -143.04 133.97 23.14 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.005 0 N-CA-C 108.153 -1.055 . . . . 0.0 108.153 177.147 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 636' ' ' ILE . . . . . . . . . . . . . 17.4 mm -110.45 136.86 45.15 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.955 0 O-C-N 121.686 -0.634 . . . . 0.0 110.303 -178.355 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 637' ' ' ASN . . . . . 0.519 ' O ' ' N ' ' B' ' 639' ' ' GLU . 36.0 t-20 -89.04 133.67 34.27 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.956 -1.09 . . . . 0.0 108.208 178.294 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -46.21 -12.57 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.48 -0.762 . . . . 0.0 111.1 -178.425 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 639' ' ' GLU . . . . . 0.519 ' N ' ' O ' ' B' ' 637' ' ' ASN . 17.5 tp10 -82.14 -21.44 36.61 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.932 -1.105 . . . . 0.0 110.945 -179.093 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 640' ' ' ASP . . . . . 0.407 ' O ' ' N ' ' B' ' 644' ' ' ALA . 18.7 m-20 -86.83 -45.82 10.52 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 120.357 -1.464 . . . . 0.0 108.752 178.362 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 641' ' ' VAL . . . . . 0.639 HG13 ' N ' ' B' ' 642' ' ' GLN . 13.2 p -64.24 -51.93 62.28 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.588 0 O-C-N 120.763 -1.21 . . . . 0.0 108.268 178.249 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 642' ' ' GLN . . . . . 0.639 ' N ' HG13 ' B' ' 641' ' ' VAL . 10.8 tm0? -54.85 -33.77 62.14 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.114 -0.991 . . . . 0.0 109.017 179.708 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 643' ' ' LEU . . . . . . . . . . . . . 51.9 tp -84.37 -26.37 28.44 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.307 -0.87 . . . . 0.0 109.175 179.405 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 644' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' B' ' 640' ' ' ASP . . . -87.12 -30.09 21.35 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.817 -1.177 . . . . 0.0 109.381 179.012 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 645' ' ' LEU . . . . . 0.474 HD12 HG22 ' B' ' 641' ' ' VAL . 36.2 mt -87.19 -22.52 25.23 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 120.845 -1.16 . . . . 0.0 109.685 179.412 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 646' ' ' ASN . . . . . . . . . . . . . 18.6 t30 -91.45 -11.29 38.04 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 120.78 -1.2 . . . . 0.0 110.368 -179.523 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 647' ' ' LYS . . . . . . . . . . . . . 30.4 ttmt -93.41 -7.86 43.37 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 120.952 -1.092 . . . . 0.0 109.484 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 648' ' ' HIS . . . . . 0.508 ' NE2' ' OE2' ' B' ' 622' ' ' GLU . 7.3 m-70 -112.55 17.56 19.12 Favored 'General case' 0 N--CA 1.5 2.075 0 O-C-N 121.278 -0.889 . . . . 0.0 109.91 -179.819 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 649' ' ' MET . . . . . . . . . . . . . 17.7 mtt -97.09 99.96 11.46 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.097 -1.002 . . . . 0.0 109.218 179.645 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 650' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 . . . . . 0 N--CA 1.49 1.554 0 CA-C-O 118.025 -0.988 . . . . 0.0 109.444 -179.976 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 279' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 280' ' ' LEU . . . . . 0.569 HD22 ' N ' ' A' ' 280' ' ' LEU . 3.5 mm? -69.95 71.67 0.38 Allowed 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.288 -0.882 . . . . 0.0 109.19 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 281' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -64.87 92.7 0.1 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.318 -0.864 . . . . 0.0 109.439 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 282' ' ' SER . . . . . . . . . . . . . 96.7 p -158.11 91.71 1.13 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.235 -0.915 . . . . 0.0 109.458 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 283' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -157.99 151.3 23.29 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.189 -0.944 . . . . 0.0 109.436 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 284' ' ' MET . . . . . . . . . . . . . 21.6 ptt? -64.04 146.97 53.22 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.244 -0.91 . . . . 0.0 109.509 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 285' ' ' PHE . . . . . 0.436 ' O ' ' O ' ' A' ' 286' ' ' SER . 27.6 p90 -63.67 173.02 1.85 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.198 -0.939 . . . . 0.0 109.217 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 286' ' ' SER . . . . . 0.436 ' O ' ' O ' ' A' ' 285' ' ' PHE . 36.4 t 52.48 100.1 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.265 -0.897 . . . . 0.0 109.461 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 287' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -131.79 74.19 1.57 Allowed 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.475 -0.766 . . . . 0.0 109.271 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 288' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -157.41 -27.53 0.09 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.262 -0.899 . . . . 0.0 109.332 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 289' ' ' PHE . . . . . 0.452 ' C ' ' H ' ' A' ' 291' ' ' PHE . 91.6 m-85 49.96 54.02 11.8 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.252 -0.905 . . . . 0.0 109.512 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 290' ' ' ASN . . . . . . . . . . . . . 34.4 m120 -76.62 26.44 0.13 Allowed 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.275 -0.891 . . . . 0.0 109.399 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 291' ' ' PHE . . . . . 0.452 ' H ' ' C ' ' A' ' 289' ' ' PHE . 60.6 m-85 52.91 40.14 30.39 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.329 -0.857 . . . . 0.0 109.367 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 292' ' ' GLU . . . . . . . . . . . . . 18.5 tp10 -169.6 -22.71 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.221 -0.924 . . . . 0.0 109.379 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 293' ' ' ASN . . . . . . . . . . . . . 63.3 t30 53.63 64.69 1.75 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.276 -0.89 . . . . 0.0 109.489 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 294' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -75.48 179.93 4.96 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.272 -0.893 . . . . 0.0 109.451 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 295' ' ' PHE . . . . . 0.453 ' CE2' ' O ' ' A' ' 296' ' ' ASP . 68.0 t80 -65.48 159.46 24.36 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.214 -0.929 . . . . 0.0 109.526 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 296' ' ' ASP . . . . . 0.453 ' O ' ' CE2' ' A' ' 295' ' ' PHE . 15.0 m-20 -157.41 -115.93 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.304 -0.873 . . . . 0.0 109.49 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 297' ' ' GLU . . . . . 0.416 ' HG2' ' H ' ' A' ' 299' ' ' VAL . 29.6 tt0 -171.01 133.76 0.91 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.191 -0.943 . . . . 0.0 109.39 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 298' ' ' GLN . . . . . 0.417 ' CD ' ' N ' ' A' ' 298' ' ' GLN . 19.9 mp0 -74.42 -18.07 60.7 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.327 -0.858 . . . . 0.0 109.616 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 299' ' ' VAL . . . . . 0.416 ' H ' ' HG2' ' A' ' 297' ' ' GLU . 3.4 t 66.07 120.63 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.391 0 CA-C-O 122.277 1.037 . . . . 0.0 109.983 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 300' ' ' SER . . . . . 0.523 ' C ' ' N ' ' A' ' 302' ' ' PHE . 5.8 m 59.3 26.66 15.54 Favored 'General case' 0 C--N 1.295 -1.773 0 CA-C-N 114.61 -1.177 . . . . 0.0 108.42 -178.478 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 301' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 300' ' ' SER . 6.2 tp10 -46.77 -22.82 0.34 Allowed 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 106.304 -1.739 . . . . 0.0 106.304 177.036 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 302' ' ' PHE . . . . . 0.523 ' N ' ' C ' ' A' ' 300' ' ' SER . 75.5 t80 -71.66 -59.12 2.92 Favored 'General case' 0 C--N 1.305 -1.361 0 CA-C-N 114.251 -1.341 . . . . 0.0 109.791 179.014 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 303' ' ' CYS . . . . . . . . . . . . . 1.8 t -75.93 -41.28 52.21 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.253 -0.905 . . . . 0.0 109.505 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 7.1 p -52.36 -29.44 23.86 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.43 -0.794 . . . . 0.0 110.441 -179.397 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -98.71 -13.95 20.0 Favored 'General case' 0 N--CA 1.502 2.163 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 178.363 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 306' ' ' MET . . . . . . . . . . . . . 40.7 ttm -74.83 -26.48 59.74 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 120.461 -1.4 . . . . 0.0 107.272 177.085 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 307' ' ' ASN . . . . . 0.437 ' O ' ' C ' ' A' ' 308' ' ' GLN . 19.4 t-20 -80.09 -41.91 24.63 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 105.932 -1.877 . . . . 0.0 105.932 178.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 308' ' ' GLN . . . . . 0.526 ' O ' ' N ' ' A' ' 310' ' ' CYS . 44.6 tt0 -36.29 -41.04 0.25 Allowed 'General case' 0 N--CA 1.502 2.153 0 CA-C-O 121.449 0.642 . . . . 0.0 109.431 178.338 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 309' ' ' VAL . . . . . 0.406 ' H ' HG23 ' A' ' 309' ' ' VAL . 20.0 t -46.24 -15.48 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.879 0 CA-C-O 121.686 0.755 . . . . 0.0 109.31 179.047 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 310' ' ' CYS . . . . . 0.526 ' N ' ' O ' ' A' ' 308' ' ' GLN . 33.7 m -87.61 -30.43 20.48 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.647 -0.658 . . . . 0.0 109.454 179.474 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 311' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 308' ' ' GLN . . . -54.14 116.77 6.62 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.63 -1.388 . . . . 0.0 109.63 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 312' ' ' THR . . . . . 0.429 ' O ' ' OXT' ' A' ' 313' ' ' ARG . 0.8 OUTLIER -91.65 140.37 29.79 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.193 -1.181 . . . . 0.0 109.477 179.943 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 313' ' ' ARG . . . . . 0.429 ' OXT' ' O ' ' A' ' 312' ' ' THR . 38.7 ttp180 . . . . . 0 N--CA 1.491 1.62 0 CA-C-O 117.963 -1.018 . . . . 0.0 109.49 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 565' ' ' ASN . . . . . . . . . . . . . 23.7 p30 . . . . . 0 N--CA 1.49 1.547 0 CA-C-O 121.299 0.571 . . . . 0.0 109.462 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 566' ' ' GLY . . . . . . . . . . . . . . . -65.35 -115.38 0.01 OUTLIER Glycine 0 N--CA 1.492 2.385 0 N-CA-C 109.56 -1.416 . . . . 0.0 109.56 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 567' ' ' SER . . . . . . . . . . . . . 30.9 t -171.73 10.22 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.272 -1.134 . . . . 0.0 109.508 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 568' ' ' SER . . . . . . . . . . . . . 48.4 t -79.09 -8.04 58.64 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.253 -0.904 . . . . 0.0 109.476 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 569' ' ' LEU . . . . . 0.558 HD22 ' N ' ' B' ' 569' ' ' LEU . 3.5 mm? -70.0 -12.58 61.72 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.278 -0.889 . . . . 0.0 109.154 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 570' ' ' GLN . . . . . . . . . . . . . 23.1 mm100 -59.64 115.53 3.39 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.204 -0.935 . . . . 0.0 109.476 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 571' ' ' ASN . . . . . . . . . . . . . 75.5 m-80 -157.68 159.81 37.32 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.322 -0.861 . . . . 0.0 109.364 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -69.97 -25.92 63.85 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.26 -0.9 . . . . 0.0 109.491 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 573' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -168.12 -162.46 0.42 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.234 -0.916 . . . . 0.0 109.412 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 574' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -65.88 -103.48 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.241 -0.912 . . . . 0.0 109.434 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 575' ' ' ILE . . . . . . . . . . . . . 77.2 mt -73.9 -74.52 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.235 -0.915 . . . . 0.0 109.442 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 576' ' ' ASN . . . . . . . . . . . . . 37.1 t30 -170.14 70.43 0.06 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.31 -0.869 . . . . 0.0 109.447 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 577' ' ' ASN . . . . . . . . . . . . . 32.8 m120 -68.07 -83.07 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.309 -0.869 . . . . 0.0 109.509 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 578' ' ' GLY . . . . . . . . . . . . . . . 67.45 19.94 71.21 Favored Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.557 -1.417 . . . . 0.0 109.557 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 579' ' ' ASN . . . . . . . . . . . . . 33.6 m120 -158.23 -70.11 0.09 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.306 -1.114 . . . . 0.0 109.483 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 580' ' ' ASP . . . . . . . . . . . . . 65.8 t0 -65.29 -112.94 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.286 -0.884 . . . . 0.0 109.454 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 581' ' ' ASN . . . . . . . . . . . . . 52.1 t30 51.77 -113.12 0.71 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.17 -0.956 . . . . 0.0 109.433 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 582' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -65.95 -168.63 0.05 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.25 -0.906 . . . . 0.0 109.566 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 583' ' ' ASN . . . . . 0.492 ' CG ' ' H ' ' B' ' 584' ' ' ASP . 8.9 t-20 -169.35 -164.1 0.44 Allowed 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.244 -0.91 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 584' ' ' ASP . . . . . 0.492 ' H ' ' CG ' ' B' ' 583' ' ' ASN . 7.8 p-10 -162.98 65.33 0.19 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.284 -0.885 . . . . 0.0 109.429 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 585' ' ' ASN . . . . . 0.411 ' O ' ' O ' ' B' ' 586' ' ' ASP . 49.7 m-20 51.81 -132.32 1.95 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.352 -0.842 . . . . 0.0 109.43 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 586' ' ' ASP . . . . . 0.411 ' O ' ' O ' ' B' ' 585' ' ' ASN . 3.9 m-20 -56.14 -167.79 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.332 -0.855 . . . . 0.0 109.267 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 587' ' ' VAL . . . . . . . . . . . . . 2.4 p -176.09 153.99 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.29 0 O-C-N 121.356 -0.84 . . . . 0.0 108.849 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 588' ' ' VAL . . . . . . . . . . . . . 4.0 m -105.82 151.66 40.01 Favored Pre-proline 0 N--CA 1.499 2.022 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 589' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -57.2 176.14 0.28 Allowed 'Trans proline' 0 C--N 1.324 -0.755 0 C-N-CA 120.983 1.122 . . . . 0.0 109.583 179.452 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 590' ' ' SER . . . . . . . . . . . . . 61.1 m -78.43 43.32 0.46 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.201 -0.937 . . . . 0.0 109.259 179.744 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 591' ' ' LYS . . . . . 0.428 ' HB3' ' HZ2' ' B' ' 591' ' ' LYS . 17.6 ttpp -166.28 140.28 4.24 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.365 -0.834 . . . . 0.0 109.267 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 20.9 pt-20 -170.35 135.89 1.3 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.281 -0.887 . . . . 0.0 109.308 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 593' ' ' GLY . . . . . . . . . . . . . . . 148.33 36.3 0.05 OUTLIER Glycine 0 N--CA 1.493 2.475 0 N-CA-C 109.35 -1.5 . . . . 0.0 109.35 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 594' ' ' SER . . . . . . . . . . . . . 64.8 m -80.4 164.96 22.69 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.116 -1.226 . . . . 0.0 110.176 -179.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 595' ' ' LEU . . . . . 0.566 HD12 ' N ' ' B' ' 595' ' ' LEU . 7.3 mp -89.79 118.45 29.4 Favored 'General case' 0 C--N 1.299 -1.62 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 179.718 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 596' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -125.86 148.81 49.06 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.41 -0.806 . . . . 0.0 109.411 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 597' ' ' ARG . . . . . 0.559 ' H ' ' NE ' ' B' ' 597' ' ' ARG . 0.1 OUTLIER -73.66 -173.74 1.56 Allowed 'General case' 0 N--CA 1.494 1.77 0 CA-C-O 122.025 0.917 . . . . 0.0 110.763 -179.235 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 598' ' ' CYS . . . . . . . . . . . . . 2.5 p -71.46 -88.45 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.756 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.746 -177.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 13.5 t -43.09 -26.73 0.17 Allowed 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.452 -0.78 . . . . 0.0 110.406 -178.188 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 600' ' ' GLU . . . . . 0.505 ' CD ' ' HE ' ' B' ' 597' ' ' ARG . 77.2 mt-10 -56.29 -23.05 34.14 Favored 'General case' 0 C--N 1.302 -1.483 0 C-N-CA 118.266 -1.374 . . . . 0.0 107.854 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 601' ' ' ILE . . . . . 0.585 ' O ' ' N ' ' B' ' 604' ' ' ARG . 1.3 mp -73.0 -36.03 50.09 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.139 0 N-CA-C 106.676 -1.601 . . . . 0.0 106.676 179.322 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 602' ' ' TRP . . . . . 0.408 ' C ' ' O ' ' B' ' 601' ' ' ILE . 48.0 t-105 -46.4 -35.04 5.13 Favored 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 106.944 -1.502 . . . . 0.0 106.944 178.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 603' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -69.59 -39.46 77.29 Favored 'General case' 0 C--N 1.304 -1.396 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 177.555 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 604' ' ' ARG . . . . . 0.585 ' N ' ' O ' ' B' ' 601' ' ' ILE . 21.5 mmm180 -57.98 -28.43 64.38 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.285 -0.884 . . . . 0.0 109.457 179.095 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 605' ' ' ILE . . . . . 0.484 ' N ' HD12 ' B' ' 605' ' ' ILE . 1.9 mp -86.18 -45.28 16.85 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.885 0 O-C-N 121.313 -0.867 . . . . 0.0 110.411 -179.224 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 606' ' ' THR . . . . . . . . . . . . . 40.4 p -52.33 -35.99 52.25 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.89 -1.131 . . . . 0.0 110.188 -178.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 607' ' ' THR . . . . . . . . . . . . . 59.1 p -76.68 16.36 0.52 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.069 -1.019 . . . . 0.0 109.971 -179.661 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 608' ' ' HIS . . . . . 0.523 ' NE2' ' O ' ' B' ' 604' ' ' ARG . 4.2 m-70 -125.24 111.03 26.49 Favored Pre-proline 0 N--CA 1.501 2.09 0 O-C-N 121.389 -0.82 . . . . 0.0 109.743 -179.596 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 609' ' ' PRO . . . . . 0.47 ' C ' ' H ' ' B' ' 611' ' ' TYR . 2.6 Cg_exo -58.2 -35.69 98.5 Favored 'Trans proline' 0 C--O 1.215 -0.669 0 C-N-CA 120.802 1.001 . . . . 0.0 109.811 179.453 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 610' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -70.8 42.65 0.07 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.105 -0.997 . . . . 0.0 108.997 179.665 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 611' ' ' TYR . . . . . 0.521 ' CG ' ' O ' ' B' ' 611' ' ' TYR . 8.8 t80 -87.15 4.34 42.74 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.397 -0.814 . . . . 0.0 109.516 -179.583 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 612' ' ' SER . . . . . . . . . . . . . 33.5 t -85.54 15.04 4.85 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.255 -0.903 . . . . 0.0 109.926 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 613' ' ' ASP . . . . . 0.539 ' C ' ' H ' ' B' ' 615' ' ' ASP . 13.1 m-20 -159.43 -104.07 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.049 -1.032 . . . . 0.0 110.111 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 614' ' ' ILE . . . . . 0.501 HG22 ' O ' ' B' ' 614' ' ' ILE . 56.7 mt 51.4 -0.77 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.811 0 O-C-N 121.253 -0.904 . . . . 0.0 111.117 179.645 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 615' ' ' ASP . . . . . 0.539 ' H ' ' C ' ' B' ' 613' ' ' ASP . 40.3 t0 54.3 88.46 0.04 OUTLIER 'General case' 0 N--CA 1.487 1.411 0 O-C-N 120.346 -1.471 . . . . 0.0 108.986 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 616' ' ' VAL . . . . . . . . . . . . . 28.4 m -72.38 -26.47 24.52 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 O-C-N 121.277 -0.889 . . . . 0.0 108.897 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 617' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -76.32 -40.08 52.36 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.433 -0.792 . . . . 0.0 110.109 -179.5 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 618' ' ' GLY . . . . . . . . . . . . . . . -70.7 -46.24 47.77 Favored Glycine 0 N--CA 1.488 2.156 0 C-N-CA 119.607 -1.282 . . . . 0.0 110.053 -179.681 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 619' ' ' LEU . . . . . 0.684 ' C ' HD12 ' B' ' 619' ' ' LEU . 1.8 pp -65.46 -19.67 66.03 Favored 'General case' 0 N--CA 1.486 1.329 0 O-C-N 120.826 -1.396 . . . . 0.0 108.561 -179.774 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 620' ' ' CYS . . . . . . . . . . . . . 48.7 t -71.81 -49.24 40.35 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.453 -0.779 . . . . 0.0 109.741 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 95.0 p -76.9 -2.15 32.08 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.854 -1.154 . . . . 0.0 108.705 179.408 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 622' ' ' GLU . . . . . . . . . . . . . 54.6 tt0 -100.6 -60.11 1.58 Allowed 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 176.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 623' ' ' LEU . . . . . . . . . . . . . 4.3 tp -61.4 -32.46 72.4 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.116 -0.99 . . . . 0.0 109.879 179.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 624' ' ' MET . . . . . . . . . . . . . 18.0 ttt -75.2 -28.22 59.9 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.289 -0.882 . . . . 0.0 112.408 -177.682 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 625' ' ' ALA . . . . . . . . . . . . . . . -102.64 -16.65 15.98 Favored 'General case' 0 N--CA 1.508 2.462 0 O-C-N 120.723 -1.235 . . . . 0.0 109.878 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 626' ' ' LYS . . . . . . . . . . . . . 5.8 mptp? -75.42 -4.28 38.57 Favored 'General case' 0 C--N 1.299 -1.59 0 N-CA-C 105.277 -2.12 . . . . 0.0 105.277 176.141 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 627' ' ' ALA . . . . . . . . . . . . . . . -42.56 135.28 2.85 Favored 'General case' 0 N--CA 1.492 1.64 0 CA-C-N 115.129 -0.942 . . . . 0.0 111.745 -179.478 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 628' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -107.2 91.77 3.8 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 107.549 -1.278 . . . . 0.0 107.549 178.264 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 629' ' ' CYS . . . . . . . . . . . . . 25.0 t -58.31 122.17 12.59 Favored 'General case' 0 N--CA 1.493 1.698 0 CA-C-O 122.53 1.157 . . . . 0.0 111.799 -177.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 630' ' ' SER . . . . . . . . . . . . . 46.9 t -142.91 160.94 39.39 Favored 'General case' 0 N--CA 1.495 1.784 0 N-CA-C 107.515 -1.291 . . . . 0.0 107.515 178.446 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 631' ' ' GLU . . . . . 0.517 ' C ' ' H ' ' B' ' 633' ' ' GLY . 10.4 mm-40 -64.98 -21.08 66.79 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.28 -1.513 . . . . 0.0 109.243 -179.737 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 21.3 mmm180 -79.58 33.44 0.25 Allowed 'General case' 0 N--CA 1.493 1.684 0 N-CA-C 107.181 -1.415 . . . . 0.0 107.181 177.651 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 633' ' ' GLY . . . . . 0.517 ' H ' ' C ' ' B' ' 631' ' ' GLU . . . 72.62 -168.1 53.2 Favored Glycine 0 N--CA 1.491 2.311 0 N-CA-C 107.294 -2.322 . . . . 0.0 107.294 -178.256 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 634' ' ' VAL . . . . . . . . . . . . . 7.9 p -78.59 148.82 5.93 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.407 0 O-C-N 120.239 -1.742 . . . . 0.0 109.523 179.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 33.3 m -139.66 138.26 39.28 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.922 0 O-C-N 121.107 -0.996 . . . . 0.0 108.524 178.334 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 636' ' ' ILE . . . . . . . . . . . . . 22.1 mm -114.57 137.15 48.9 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.902 0 O-C-N 121.669 -0.644 . . . . 0.0 109.515 -179.259 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 637' ' ' ASN . . . . . 0.509 ' O ' ' N ' ' B' ' 639' ' ' GLU . 9.4 m-80 -83.54 133.02 34.89 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.745 -1.222 . . . . 0.0 107.93 178.466 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -45.76 -14.92 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.512 -0.742 . . . . 0.0 110.846 -177.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 639' ' ' GLU . . . . . 0.509 ' N ' ' O ' ' B' ' 637' ' ' ASN . 66.4 mt-10 -84.14 -21.98 31.2 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.031 -1.043 . . . . 0.0 111.14 -178.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 640' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -84.12 -42.23 16.26 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 120.268 -1.52 . . . . 0.0 108.135 178.559 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 641' ' ' VAL . . . . . 0.607 HG13 ' N ' ' B' ' 642' ' ' GLN . 7.4 p -61.88 -51.43 72.7 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.544 0 N-CA-C 107.823 -1.177 . . . . 0.0 107.823 177.19 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 642' ' ' GLN . . . . . 0.607 ' N ' HG13 ' B' ' 641' ' ' VAL . 76.0 mt-30 -52.37 -33.98 45.62 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.082 -1.011 . . . . 0.0 109.647 179.718 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 643' ' ' LEU . . . . . . . . . . . . . 19.2 mt -81.13 -25.99 36.47 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.141 -0.974 . . . . 0.0 109.357 179.347 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 644' ' ' ALA . . . . . . . . . . . . . . . -87.47 -28.91 21.78 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.493 -1.379 . . . . 0.0 109.643 179.255 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 645' ' ' LEU . . . . . 0.475 ' O ' ' N ' ' B' ' 647' ' ' LYS . 41.9 mt -89.07 -69.31 0.72 Allowed 'General case' 0 N--CA 1.498 1.93 0 O-C-N 120.645 -1.284 . . . . 0.0 109.947 179.644 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 646' ' ' ASN . . . . . . . . . . . . . 65.9 m-20 -47.16 -15.54 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.287 -0.883 . . . . 0.0 110.392 -178.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 647' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' B' ' 645' ' ' LEU . 30.4 tttm -89.53 163.31 15.27 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.052 -1.03 . . . . 0.0 110.013 -179.486 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 648' ' ' HIS . . . . . . . . . . . . . 17.8 m-70 65.69 27.81 11.23 Favored 'General case' 0 N--CA 1.493 1.692 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 -179.579 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 649' ' ' MET . . . . . . . . . . . . . 7.2 mmt -95.76 136.75 35.76 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.239 -0.913 . . . . 0.0 109.431 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 650' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 . . . . . 0 N--CA 1.49 1.566 0 CA-C-O 118.006 -0.997 . . . . 0.0 109.392 -179.922 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 279' ' ' ASN . . . . . . . . . . . . . 29.2 m120 . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 280' ' ' LEU . . . . . 0.579 ' H ' HD23 ' A' ' 280' ' ' LEU . 0.2 OUTLIER -84.06 4.21 31.12 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.203 -0.936 . . . . 0.0 109.079 179.94 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 281' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -157.29 44.98 0.37 Allowed 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.245 -0.909 . . . . 0.0 109.393 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 282' ' ' SER . . . . . . . . . . . . . 8.8 t -177.45 -44.38 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.317 -0.864 . . . . 0.0 109.397 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 283' ' ' ASN . . . . . . . . . . . . . 7.5 m120 56.83 11.79 1.01 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.424 -0.798 . . . . 0.0 109.362 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 284' ' ' MET . . . . . . . . . . . . . 66.4 mtm -153.28 171.37 18.66 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.206 -0.934 . . . . 0.0 109.252 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 285' ' ' PHE . . . . . 0.423 ' C ' ' H ' ' A' ' 287' ' ' ASN . 98.5 m-85 -58.69 171.45 0.64 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.288 -0.882 . . . . 0.0 109.505 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 286' ' ' SER . . . . . . . . . . . . . 48.8 m -62.33 -2.16 0.94 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.186 -0.946 . . . . 0.0 109.359 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 287' ' ' ASN . . . . . 0.423 ' H ' ' C ' ' A' ' 285' ' ' PHE . 27.5 m120 -61.41 164.94 5.12 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.335 -0.853 . . . . 0.0 109.596 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 288' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -170.1 37.88 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.248 -0.907 . . . . 0.0 109.489 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 289' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 52.88 20.75 1.73 Allowed 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.198 -0.939 . . . . 0.0 109.429 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 290' ' ' ASN . . . . . 0.528 ' O ' ' N ' ' A' ' 292' ' ' GLU . 51.9 t-20 -76.16 -37.57 57.76 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.24 -0.912 . . . . 0.0 109.437 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 291' ' ' PHE . . . . . . . . . . . . . 25.7 t80 65.21 -42.08 0.32 Allowed 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.766 -0.584 . . . . 0.0 109.902 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 292' ' ' GLU . . . . . 0.528 ' N ' ' O ' ' A' ' 290' ' ' ASN . 67.8 mt-10 -58.07 -65.37 0.66 Allowed 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.033 -1.042 . . . . 0.0 109.645 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 293' ' ' ASN . . . . . 0.478 ' ND2' ' ND2' ' A' ' 290' ' ' ASN . 70.1 m-20 -75.94 -178.09 4.17 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.191 -0.943 . . . . 0.0 109.616 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 294' ' ' GLN . . . . . 0.425 ' O ' ' OE1' ' A' ' 294' ' ' GLN . 1.2 pp0? -163.64 48.42 0.13 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.349 -0.844 . . . . 0.0 109.385 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 295' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -48.96 -62.58 1.45 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.268 -0.895 . . . . 0.0 109.549 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . 16.4 t70 55.98 50.53 13.66 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.293 -0.879 . . . . 0.0 109.556 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 297' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 53.02 72.19 0.44 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.27 -0.894 . . . . 0.0 109.564 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 298' ' ' GLN . . . . . . . . . . . . . 13.5 tm0? -89.06 -27.37 20.85 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.298 -0.876 . . . . 0.0 109.34 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 299' ' ' VAL . . . . . . . . . . . . . 12.9 t -89.66 -117.06 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.289 -0.882 . . . . 0.0 109.61 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 300' ' ' SER . . . . . 0.522 ' C ' ' N ' ' A' ' 302' ' ' PHE . 11.5 m 53.02 21.48 2.08 Favored 'General case' 0 C--N 1.294 -1.842 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 -177.217 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 301' ' ' GLU . . . . . 0.458 ' C ' ' O ' ' A' ' 300' ' ' SER . 6.5 pt-20 -43.16 -27.27 0.21 Allowed 'General case' 0 N--CA 1.497 1.891 0 N-CA-C 106.59 -1.633 . . . . 0.0 106.59 178.411 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 302' ' ' PHE . . . . . 0.522 ' N ' ' C ' ' A' ' 300' ' ' SER . 81.3 t80 -70.34 -64.53 0.88 Allowed 'General case' 0 C--N 1.298 -1.641 0 CA-C-N 113.658 -1.61 . . . . 0.0 109.192 178.427 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 303' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -68.48 -48.6 64.03 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.335 -0.853 . . . . 0.0 109.041 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 304' ' ' SER . . . . . 0.473 ' N ' ' O ' ' A' ' 300' ' ' SER . 18.9 m -48.68 -22.47 0.79 Allowed 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.432 -0.792 . . . . 0.0 110.668 -179.567 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . 62.7 mmtt -101.74 -14.41 17.35 Favored 'General case' 0 N--CA 1.505 2.313 0 O-C-N 120.948 -1.095 . . . . 0.0 109.09 178.412 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 306' ' ' MET . . . . . . . . . . . . . 9.9 mmm -74.25 -24.28 59.27 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 120.438 -1.414 . . . . 0.0 107.343 177.071 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 307' ' ' ASN . . . . . 0.447 ' O ' ' C ' ' A' ' 308' ' ' GLN . 50.7 t-20 -86.37 -41.04 14.82 Favored 'General case' 0 N--CA 1.493 1.717 0 N-CA-C 106.184 -1.784 . . . . 0.0 106.184 178.31 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 308' ' ' GLN . . . . . 0.531 ' O ' ' N ' ' A' ' 310' ' ' CYS . 9.3 tp-100 -35.57 -39.6 0.14 Allowed 'General case' 0 N--CA 1.504 2.241 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.372 178.819 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 309' ' ' VAL . . . . . 0.425 ' H ' HG23 ' A' ' 309' ' ' VAL . 4.0 t -46.33 -15.18 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.91 0 C-N-CA 119.819 -0.752 . . . . 0.0 109.364 178.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 310' ' ' CYS . . . . . 0.531 ' N ' ' O ' ' A' ' 308' ' ' GLN . 6.7 m -88.18 -38.76 15.05 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.5 -0.75 . . . . 0.0 109.313 179.388 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 311' ' ' GLY . . . . . . . . . . . . . . . -81.68 116.93 4.31 Favored Glycine 0 N--CA 1.492 2.411 0 N-CA-C 109.578 -1.409 . . . . 0.0 109.578 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 312' ' ' THR . . . . . . . . . . . . . 1.3 t -115.89 145.8 42.58 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.568 -0.96 . . . . 0.0 109.421 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 313' ' ' ARG . . . . . 0.547 HH11 ' CG ' ' A' ' 313' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.597 0 CA-C-O 117.998 -1.001 . . . . 0.0 109.308 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 565' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 566' ' ' GLY . . . . . . . . . . . . . . . -177.62 -29.72 0.04 OUTLIER Glycine 0 N--CA 1.489 2.199 0 N-CA-C 109.493 -1.443 . . . . 0.0 109.493 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 567' ' ' SER . . . . . . . . . . . . . 87.1 p -59.89 98.9 0.06 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.305 -1.115 . . . . 0.0 109.445 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 568' ' ' SER . . . . . . . . . . . . . 53.5 m -67.82 -66.51 0.55 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.225 -0.922 . . . . 0.0 109.483 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 569' ' ' LEU . . . . . 0.509 ' O ' HD23 ' B' ' 569' ' ' LEU . 1.0 OUTLIER -169.87 -42.33 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.294 -0.878 . . . . 0.0 109.058 -179.945 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 570' ' ' GLN . . . . . . . . . . . . . 21.3 pt20 -47.9 148.47 1.63 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.232 -0.917 . . . . 0.0 109.623 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 571' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -171.31 -26.68 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.178 -0.951 . . . . 0.0 109.538 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -170.66 -52.87 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.242 -0.911 . . . . 0.0 109.452 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 573' ' ' ASP . . . . . 0.422 ' O ' ' O ' ' B' ' 574' ' ' LYS . 38.8 t70 -169.32 30.96 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.283 -0.886 . . . . 0.0 109.477 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 574' ' ' LYS . . . . . 0.422 ' O ' ' O ' ' B' ' 573' ' ' ASP . 46.7 mttp 55.34 169.65 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.281 -0.887 . . . . 0.0 109.523 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 575' ' ' ILE . . . . . 0.425 ' O ' ' O ' ' B' ' 576' ' ' ASN . 19.8 pt -80.22 13.65 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 O-C-N 121.269 -0.894 . . . . 0.0 109.383 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 576' ' ' ASN . . . . . 0.425 ' O ' ' O ' ' B' ' 575' ' ' ILE . 9.1 t-20 57.78 160.45 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.348 -0.845 . . . . 0.0 109.579 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 577' ' ' ASN . . . . . 0.443 ' C ' ' H ' ' B' ' 579' ' ' ASN . 31.0 m120 -81.93 -20.37 38.81 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.283 -0.886 . . . . 0.0 109.332 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 578' ' ' GLY . . . . . . . . . . . . . . . 75.18 -35.78 1.1 Allowed Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.647 -1.381 . . . . 0.0 109.647 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 579' ' ' ASN . . . . . 0.443 ' H ' ' C ' ' B' ' 577' ' ' ASN . 13.5 m-80 -66.99 171.84 5.08 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.199 -1.177 . . . . 0.0 109.385 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 580' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -67.92 103.48 1.48 Allowed 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.235 -0.916 . . . . 0.0 109.322 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 581' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -75.31 -43.51 50.59 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.27 -0.894 . . . . 0.0 109.417 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 582' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -65.18 147.01 54.22 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.317 -0.865 . . . . 0.0 109.394 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 583' ' ' ASN . . . . . . . . . . . . . 19.1 p30 -75.09 125.43 28.92 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.269 -0.895 . . . . 0.0 109.393 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 584' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -78.46 4.47 13.11 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.265 -0.897 . . . . 0.0 109.567 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 585' ' ' ASN . . . . . 0.51 ' O ' ' N ' ' B' ' 587' ' ' VAL . 52.8 t-20 -67.39 -66.17 0.59 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.221 -0.924 . . . . 0.0 109.564 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 586' ' ' ASP . . . . . 0.41 ' OD1' ' N ' ' B' ' 586' ' ' ASP . 0.7 OUTLIER -68.22 58.6 0.08 Allowed 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.174 -0.954 . . . . 0.0 109.483 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 587' ' ' VAL . . . . . 0.51 ' N ' ' O ' ' B' ' 585' ' ' ASN . 4.0 p -78.41 -15.45 13.85 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 CA-C-O 122.376 1.084 . . . . 0.0 109.171 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 588' ' ' VAL . . . . . 0.541 HG13 ' O ' ' B' ' 588' ' ' VAL . 7.2 p -151.83 70.02 7.86 Favored Pre-proline 0 C--N 1.283 -2.301 0 CA-C-N 115.147 -0.933 . . . . 0.0 109.316 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 589' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -62.79 178.3 1.05 Allowed 'Trans proline' 0 C--N 1.319 -1.019 0 C-N-CA 121.442 1.428 . . . . 0.0 109.764 -179.56 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 590' ' ' SER . . . . . . . . . . . . . 23.9 p 53.46 36.12 22.36 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.233 -0.917 . . . . 0.0 109.205 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 591' ' ' LYS . . . . . . . . . . . . . 58.1 pttt -65.63 167.08 9.6 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.327 -0.858 . . . . 0.0 109.271 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -69.95 -161.36 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.263 -0.898 . . . . 0.0 109.404 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 593' ' ' GLY . . . . . . . . . . . . . . . -150.79 112.33 0.54 Allowed Glycine 0 N--CA 1.493 2.442 0 N-CA-C 109.054 -1.618 . . . . 0.0 109.054 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 594' ' ' SER . . . . . . . . . . . . . 45.7 m -81.41 159.45 24.3 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.21 -1.171 . . . . 0.0 110.188 -179.452 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 595' ' ' LEU . . . . . 0.545 HD12 ' N ' ' B' ' 595' ' ' LEU . 8.7 mp -73.6 121.65 21.01 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 108.085 -1.08 . . . . 0.0 108.085 179.078 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 596' ' ' LEU . . . . . 0.514 ' O ' ' N ' ' B' ' 636' ' ' ILE . 9.7 mt -127.96 144.27 51.1 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.416 -0.803 . . . . 0.0 109.357 -178.611 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 597' ' ' ARG . . . . . . . . . . . . . 46.4 mtm180 -87.07 -146.17 0.13 Allowed 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.195 -0.94 . . . . 0.0 110.769 -179.036 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 598' ' ' CYS . . . . . 0.664 ' SG ' ' N ' ' B' ' 599' ' ' SER . 0.0 OUTLIER -90.88 -72.73 0.56 Allowed 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.355 -0.841 . . . . 0.0 109.929 -178.606 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 599' ' ' SER . . . . . 0.664 ' N ' ' SG ' ' B' ' 598' ' ' CYS . 39.7 t -52.9 -27.61 19.46 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.579 -1.326 . . . . 0.0 107.909 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 600' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -46.83 -39.76 12.54 Favored 'General case' 0 C--N 1.3 -1.549 0 CA-C-O 122.332 1.063 . . . . 0.0 108.75 179.232 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 601' ' ' ILE . . . . . 0.605 ' O ' ' N ' ' B' ' 604' ' ' ARG . 1.5 mp -70.19 -33.16 53.5 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.189 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 -178.302 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 602' ' ' TRP . . . . . 0.434 ' N ' ' O ' ' B' ' 599' ' ' SER . 58.9 t-105 -44.13 -38.83 3.89 Favored 'General case' 0 N--CA 1.494 1.77 0 N-CA-C 107.582 -1.266 . . . . 0.0 107.582 179.399 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 603' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -68.69 -41.44 79.19 Favored 'General case' 0 C--N 1.303 -1.413 0 N-CA-C 107.563 -1.273 . . . . 0.0 107.563 177.211 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 604' ' ' ARG . . . . . 0.605 ' N ' ' O ' ' B' ' 601' ' ' ILE . 3.8 mmp_? -58.62 -21.56 53.92 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.424 -0.798 . . . . 0.0 109.532 178.824 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 605' ' ' ILE . . . . . . . . . . . . . 20.9 mm -88.35 -49.21 14.51 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.129 0 O-C-N 121.287 -0.883 . . . . 0.0 110.738 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 606' ' ' THR . . . . . . . . . . . . . 63.8 p -48.12 -40.82 24.75 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.199 -0.938 . . . . 0.0 110.89 -178.375 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 607' ' ' THR . . . . . 0.614 HG23 ' N ' ' B' ' 608' ' ' HIS . 8.9 t -49.81 -47.96 51.01 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.081 -1.012 . . . . 0.0 109.726 -179.602 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 608' ' ' HIS . . . . . 0.614 ' N ' HG23 ' B' ' 607' ' ' THR . 80.5 m80 -59.36 115.04 10.79 Favored Pre-proline 0 N--CA 1.491 1.608 0 O-C-N 121.161 -0.962 . . . . 0.0 109.13 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 609' ' ' PRO . . . . . 0.511 ' O ' ' N ' ' B' ' 611' ' ' TYR . 2.0 Cg_endo -62.01 -62.31 0.13 Allowed 'Trans proline' 0 CA--C 1.537 0.671 0 N-CA-C 109.706 -0.921 . . . . 0.0 109.706 -179.675 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 610' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -67.05 62.69 0.05 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.366 -0.834 . . . . 0.0 109.349 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 611' ' ' TYR . . . . . 0.611 ' CG ' ' O ' ' B' ' 611' ' ' TYR . 3.3 t80 -81.96 44.43 0.84 Allowed 'General case' 0 N--CA 1.492 1.642 0 CA-C-O 121.838 0.828 . . . . 0.0 109.121 -179.612 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 612' ' ' SER . . . . . . . . . . . . . 96.5 p -128.48 23.86 5.87 Favored 'General case' 0 N--CA 1.502 2.174 0 O-C-N 121.067 -1.021 . . . . 0.0 109.967 -179.482 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 613' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -172.38 78.92 0.05 Allowed 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.217 -0.927 . . . . 0.0 109.45 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 614' ' ' ILE . . . . . 0.552 HG22 ' O ' ' B' ' 614' ' ' ILE . 38.5 mt -142.26 5.3 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.941 0 O-C-N 121.161 -0.962 . . . . 0.0 109.029 -179.463 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 615' ' ' ASP . . . . . . . . . . . . . 12.4 t70 59.1 86.56 0.09 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 120.583 -1.323 . . . . 0.0 108.202 -179.699 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 616' ' ' VAL . . . . . . . . . . . . . 4.3 p -81.03 -22.34 10.87 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 O-C-N 121.547 -0.721 . . . . 0.0 109.694 -179.567 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 617' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -70.6 -43.71 68.79 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.283 -0.886 . . . . 0.0 110.328 -179.624 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 618' ' ' GLY . . . . . . . . . . . . . . . -70.03 -52.36 19.16 Favored Glycine 0 N--CA 1.491 2.353 0 N-CA-C 109.862 -1.295 . . . . 0.0 109.862 -179.59 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 619' ' ' LEU . . . . . 0.715 ' C ' HD12 ' B' ' 619' ' ' LEU . 0.7 OUTLIER -56.56 -19.26 14.95 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.185 -1.185 . . . . 0.0 108.899 -179.923 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 620' ' ' CYS . . . . . . . . . . . . . 41.8 t -74.08 -45.24 50.5 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.072 -1.018 . . . . 0.0 110.228 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 16.9 m -79.56 -0.17 32.36 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 120.822 -1.174 . . . . 0.0 109.24 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 622' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 -90.19 -43.84 10.15 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.43 -0.794 . . . . 0.0 109.779 177.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 623' ' ' LEU . . . . . . . . . . . . . 9.4 mp -85.99 -21.97 27.55 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 120.914 -1.116 . . . . 0.0 110.097 -179.281 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 624' ' ' MET . . . . . . . . . . . . . 15.0 ttt -61.04 -34.88 75.57 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.068 -1.02 . . . . 0.0 111.478 -178.598 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 625' ' ' ALA . . . . . 0.475 ' C ' ' N ' ' B' ' 627' ' ' ALA . . . -105.29 -33.61 8.15 Favored 'General case' 0 N--CA 1.505 2.318 0 O-C-N 120.888 -1.132 . . . . 0.0 110.081 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 626' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -61.24 -11.28 8.86 Favored 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 106.059 -1.83 . . . . 0.0 106.059 177.134 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 627' ' ' ALA . . . . . 0.475 ' N ' ' C ' ' B' ' 625' ' ' ALA . . . -47.35 134.15 11.83 Favored 'General case' 0 N--CA 1.493 1.68 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.459 -179.8 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 628' ' ' LYS . . . . . . . . . . . . . 56.0 mttm -105.41 91.33 3.73 Favored 'General case' 0 N--CA 1.494 1.769 0 N-CA-C 107.224 -1.398 . . . . 0.0 107.224 177.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 629' ' ' CYS . . . . . . . . . . . . . 46.9 t -59.85 137.87 57.95 Favored 'General case' 0 N--CA 1.491 1.607 0 CA-C-O 122.418 1.104 . . . . 0.0 112.345 -177.454 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 630' ' ' SER . . . . . . . . . . . . . 2.0 t -141.68 163.54 32.63 Favored 'General case' 0 N--CA 1.494 1.732 0 N-CA-C 107.197 -1.409 . . . . 0.0 107.197 178.258 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 631' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -70.02 -34.87 73.84 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.329 -1.482 . . . . 0.0 110.486 -178.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 73.8 mtm180 -70.79 -16.93 62.78 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.759 -1.213 . . . . 0.0 108.77 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 633' ' ' GLY . . . . . . . . . . . . . . . 141.91 -179.2 20.09 Favored Glycine 0 N--CA 1.495 2.595 0 N-CA-C 108.629 -1.788 . . . . 0.0 108.629 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 634' ' ' VAL . . . . . 0.493 HG22 ' N ' ' B' ' 635' ' ' VAL . 7.5 p -78.62 160.92 4.41 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.366 0 O-C-N 120.651 -1.5 . . . . 0.0 110.102 -179.826 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 635' ' ' VAL . . . . . 0.493 ' N ' HG22 ' B' ' 634' ' ' VAL . 26.9 m -151.09 143.11 16.67 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 N-CA-C 108.161 -1.051 . . . . 0.0 108.161 178.059 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 636' ' ' ILE . . . . . 0.514 ' N ' ' O ' ' B' ' 596' ' ' LEU . 95.3 mt -133.68 145.17 33.94 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.985 0 O-C-N 121.419 -0.801 . . . . 0.0 110.036 -178.717 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 637' ' ' ASN . . . . . 0.518 ' O ' ' N ' ' B' ' 639' ' ' GLU . 6.6 m-20 -86.43 132.89 33.83 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.28 -0.887 . . . . 0.0 109.67 179.67 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -46.41 -11.81 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.806 -0.559 . . . . 0.0 110.642 -179.616 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 639' ' ' GLU . . . . . 0.518 ' N ' ' O ' ' B' ' 637' ' ' ASN . 52.0 mm-40 -80.71 -20.36 43.01 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.681 -1.262 . . . . 0.0 109.632 179.706 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 640' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -88.19 -25.64 22.81 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 120.611 -1.306 . . . . 0.0 108.372 177.626 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 641' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -87.91 -33.73 6.8 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.778 0 O-C-N 121.269 -0.894 . . . . 0.0 108.877 179.01 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 642' ' ' GLN . . . . . . . . . . . . . 44.3 mm-40 -69.98 -33.0 71.5 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.234 -0.916 . . . . 0.0 108.623 179.147 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 643' ' ' LEU . . . . . . . . . . . . . 58.5 mt -85.93 -18.68 32.02 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.264 -0.897 . . . . 0.0 108.953 178.541 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 644' ' ' ALA . . . . . . . . . . . . . . . -87.14 -32.29 19.95 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.771 -1.205 . . . . 0.0 108.669 178.039 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 645' ' ' LEU . . . . . . . . . . . . . 14.1 mt -86.37 -25.65 25.24 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.284 -0.885 . . . . 0.0 109.526 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 646' ' ' ASN . . . . . . . . . . . . . 57.0 t-20 -90.05 -11.79 40.39 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.006 -1.059 . . . . 0.0 109.389 179.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 647' ' ' LYS . . . . . . . . . . . . . 42.3 tttm -86.89 -10.43 53.35 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.262 -0.899 . . . . 0.0 109.694 -179.681 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 648' ' ' HIS . . . . . . . . . . . . . 67.0 m-70 -111.2 22.18 15.49 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.352 -0.843 . . . . 0.0 109.535 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 649' ' ' MET . . . . . . . . . . . . . 15.1 mmt -96.46 103.39 15.3 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.193 -0.942 . . . . 0.0 109.428 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 650' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 . . . . . 0 N--CA 1.49 1.547 0 CA-C-O 117.989 -1.005 . . . . 0.0 109.524 179.992 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 279' ' ' ASN . . . . . . . . . . . . . 19.2 m120 . . . . . 0 N--CA 1.491 1.588 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 280' ' ' LEU . . . . . 0.592 HD22 ' N ' ' A' ' 280' ' ' LEU . 3.4 mm? -70.5 69.3 0.4 Allowed 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.199 -0.938 . . . . 0.0 109.193 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 281' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -71.82 44.59 0.11 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.351 -0.843 . . . . 0.0 109.472 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 282' ' ' SER . . . . . . . . . . . . . 12.3 t 53.26 176.89 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.294 -0.879 . . . . 0.0 109.461 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 283' ' ' ASN . . . . . 0.441 ' ND2' ' O ' ' A' ' 283' ' ' ASN . 4.6 p-10 -170.51 103.64 0.26 Allowed 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.292 -0.88 . . . . 0.0 109.403 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 284' ' ' MET . . . . . . . . . . . . . 59.7 mtt -73.18 129.27 37.69 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.164 -0.96 . . . . 0.0 109.532 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 285' ' ' PHE . . . . . . . . . . . . . 7.1 p90 -63.33 149.69 45.16 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.214 -0.928 . . . . 0.0 109.362 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 286' ' ' SER . . . . . . . . . . . . . 45.6 t -61.9 -175.5 0.07 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.239 -0.913 . . . . 0.0 109.477 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 287' ' ' ASN . . . . . . . . . . . . . 34.7 m120 -57.47 162.81 2.67 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.241 -0.912 . . . . 0.0 109.47 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 288' ' ' ASP . . . . . 0.519 ' O ' ' CG ' ' A' ' 289' ' ' PHE . 26.6 t70 -171.14 49.61 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.253 -0.905 . . . . 0.0 109.463 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 289' ' ' PHE . . . . . 0.519 ' CG ' ' O ' ' A' ' 288' ' ' ASP . 97.1 m-85 -158.11 7.82 0.14 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.258 -0.901 . . . . 0.0 109.37 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 290' ' ' ASN . . . . . 0.511 ' O ' ' CG ' ' A' ' 291' ' ' PHE . 82.9 m-20 -63.81 -84.89 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.244 -0.91 . . . . 0.0 109.519 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 291' ' ' PHE . . . . . 0.511 ' CG ' ' O ' ' A' ' 290' ' ' ASN . 96.8 m-85 -158.18 -72.08 0.09 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.198 -0.938 . . . . 0.0 109.509 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 292' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -171.75 19.75 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.323 -0.861 . . . . 0.0 109.327 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 293' ' ' ASN . . . . . . . . . . . . . 17.6 m-80 -69.02 -59.98 2.67 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.309 -0.87 . . . . 0.0 109.561 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 294' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -168.91 153.47 5.74 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.307 -0.871 . . . . 0.0 109.566 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 295' ' ' PHE . . . . . 0.405 ' CD1' ' N ' ' A' ' 295' ' ' PHE . 14.6 p90 -159.77 129.09 5.23 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.229 -0.919 . . . . 0.0 109.209 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 296' ' ' ASP . . . . . 0.419 ' O ' ' O ' ' A' ' 297' ' ' GLU . 18.2 t0 -59.3 -102.62 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.267 -0.896 . . . . 0.0 109.757 -179.705 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 297' ' ' GLU . . . . . 0.419 ' O ' ' O ' ' A' ' 296' ' ' ASP . 5.7 tp10 61.72 137.62 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.471 -0.768 . . . . 0.0 109.561 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 298' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -79.64 -29.17 40.91 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.21 -0.931 . . . . 0.0 109.696 -179.746 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 299' ' ' VAL . . . . . 0.649 HG22 ' O ' ' A' ' 299' ' ' VAL . 1.6 p -92.39 70.84 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 O-C-N 121.238 -0.914 . . . . 0.0 108.786 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 300' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 304' ' ' SER . 6.0 t -131.64 -130.96 0.19 Allowed 'General case' 0 N--CA 1.489 1.492 0 CA-C-O 121.634 0.73 . . . . 0.0 110.28 -178.083 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 301' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -45.97 -35.41 4.68 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.641 -0.662 . . . . 0.0 109.796 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 302' ' ' PHE . . . . . 0.474 ' CE1' ' SD ' ' A' ' 306' ' ' MET . 50.2 t80 -64.34 -53.6 46.25 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.342 -0.849 . . . . 0.0 109.699 -179.499 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 303' ' ' CYS . . . . . . . . . . . . . 20.9 m -84.35 -42.06 16.14 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.264 -0.897 . . . . 0.0 110.501 -179.303 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 304' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 300' ' ' SER . 22.2 p -61.14 -26.02 67.39 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.196 -0.94 . . . . 0.0 111.197 -178.549 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . 12.3 ttmm -93.17 -28.26 16.4 Favored 'General case' 0 N--CA 1.502 2.163 0 O-C-N 120.758 -1.214 . . . . 0.0 108.231 178.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 306' ' ' MET . . . . . 0.474 ' SD ' ' CE1' ' A' ' 302' ' ' PHE . 40.6 mtp -64.83 -18.68 65.34 Favored 'General case' 0 C--N 1.298 -1.632 0 N-CA-C 107.022 -1.473 . . . . 0.0 107.022 177.322 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 307' ' ' ASN . . . . . 0.456 ' O ' ' C ' ' A' ' 308' ' ' GLN . 80.7 m-20 -83.15 -36.82 24.44 Favored 'General case' 0 N--CA 1.487 1.383 0 N-CA-C 105.837 -1.912 . . . . 0.0 105.837 178.503 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 308' ' ' GLN . . . . . 0.547 ' O ' ' N ' ' A' ' 310' ' ' CYS . 23.8 tp60 -35.8 -38.01 0.11 Allowed 'General case' 0 N--CA 1.508 2.439 0 CA-C-O 121.763 0.792 . . . . 0.0 109.043 178.362 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 309' ' ' VAL . . . . . 0.408 HG23 ' H ' ' A' ' 309' ' ' VAL . 20.4 t -47.09 -12.0 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.87 0 C-N-CA 120.019 -0.672 . . . . 0.0 109.678 179.227 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 310' ' ' CYS . . . . . 0.547 ' N ' ' O ' ' A' ' 308' ' ' GLN . 0.5 OUTLIER -88.66 -74.88 0.45 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.171 -0.956 . . . . 0.0 108.627 178.901 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 311' ' ' GLY . . . . . . . . . . . . . . . -87.4 136.03 13.6 Favored Glycine 0 N--CA 1.493 2.476 0 N-CA-C 109.621 -1.392 . . . . 0.0 109.621 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 312' ' ' THR . . . . . . . . . . . . . 70.5 p -81.25 122.32 27.26 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.151 -1.205 . . . . 0.0 109.404 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 313' ' ' ARG . . . . . 0.575 HH11 ' CG ' ' A' ' 313' ' ' ARG . 0.3 OUTLIER . . . . . 0 N--CA 1.491 1.612 0 CA-C-O 118.073 -0.965 . . . . 0.0 109.432 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 565' ' ' ASN . . . . . . . . . . . . . 60.9 m-80 . . . . . 0 N--CA 1.489 1.51 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 566' ' ' GLY . . . . . . . . . . . . . . . 178.62 175.57 45.8 Favored Glycine 0 N--CA 1.49 2.283 0 N-CA-C 109.544 -1.422 . . . . 0.0 109.544 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 567' ' ' SER . . . . . . . . . . . . . 72.1 m -166.06 71.5 0.14 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.312 -1.11 . . . . 0.0 109.394 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 568' ' ' SER . . . . . . . . . . . . . 86.0 p -169.47 128.83 1.0 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.247 -0.908 . . . . 0.0 109.544 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 569' ' ' LEU . . . . . . . . . . . . . 14.2 mt 55.23 23.53 5.57 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.231 -0.918 . . . . 0.0 109.411 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 570' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 52.43 82.15 0.07 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.251 -0.906 . . . . 0.0 109.531 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 571' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -79.6 -78.83 0.15 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.216 -0.927 . . . . 0.0 109.461 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -57.49 126.29 26.64 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.266 -0.896 . . . . 0.0 109.426 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 573' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -171.41 79.78 0.07 Allowed 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.218 -0.926 . . . . 0.0 109.375 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 574' ' ' LYS . . . . . . . . . . . . . 35.5 ttpt -169.51 -21.87 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.169 -0.957 . . . . 0.0 109.536 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 575' ' ' ILE . . . . . . . . . . . . . 16.8 tt -62.18 -24.3 34.36 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 121.294 -0.879 . . . . 0.0 109.562 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 576' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -66.87 82.94 0.11 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.247 -0.908 . . . . 0.0 109.439 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 577' ' ' ASN . . . . . . . . . . . . . 32.1 m120 -69.06 165.86 19.36 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.259 -0.9 . . . . 0.0 109.444 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 578' ' ' GLY . . . . . . . . . . . . . . . 175.6 41.94 0.05 OUTLIER Glycine 0 N--CA 1.491 2.326 0 N-CA-C 109.432 -1.467 . . . . 0.0 109.432 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 579' ' ' ASN . . . . . 0.472 ' H ' ' ND2' ' B' ' 579' ' ' ASN . 3.3 p30 -70.12 -10.74 59.75 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.264 -1.139 . . . . 0.0 109.281 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 580' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -80.4 -60.5 2.3 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.382 -0.824 . . . . 0.0 109.483 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 581' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -61.65 -46.53 89.37 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.38 -0.825 . . . . 0.0 109.534 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 582' ' ' ASP . . . . . 0.419 ' OD2' ' O ' ' B' ' 579' ' ' ASN . 53.6 m-20 52.53 -167.55 0.05 Allowed 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.215 -0.928 . . . . 0.0 109.448 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 583' ' ' ASN . . . . . 0.473 ' O ' ' N ' ' B' ' 585' ' ' ASN . 59.5 t-20 -67.69 94.86 0.46 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.216 -0.927 . . . . 0.0 109.467 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 584' ' ' ASP . . . . . . . . . . . . . 29.4 t70 51.01 -92.97 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.265 -0.897 . . . . 0.0 109.525 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 585' ' ' ASN . . . . . 0.473 ' N ' ' O ' ' B' ' 583' ' ' ASN . 23.6 m-80 -157.48 84.09 0.91 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.327 -0.858 . . . . 0.0 109.369 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 586' ' ' ASP . . . . . 0.456 ' C ' ' H ' ' B' ' 588' ' ' VAL . 4.8 m-20 -78.84 76.93 5.32 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.25 -0.906 . . . . 0.0 109.576 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 587' ' ' VAL . . . . . . . . . . . . . 2.9 t -74.83 13.23 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 O-C-N 121.382 -0.824 . . . . 0.0 108.957 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 588' ' ' VAL . . . . . 0.456 ' H ' ' C ' ' B' ' 586' ' ' ASP . 3.8 m -145.46 68.66 13.53 Favored Pre-proline 0 N--CA 1.491 1.619 0 O-C-N 121.563 -0.711 . . . . 0.0 109.287 -179.822 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 589' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -59.51 95.28 0.09 OUTLIER 'Trans proline' 0 C--N 1.319 -1.001 0 C-N-CA 121.454 1.436 . . . . 0.0 109.894 -179.548 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 590' ' ' SER . . . . . 0.509 ' O ' ' N ' ' B' ' 592' ' ' GLU . 84.8 p -171.94 -156.5 0.1 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.346 -0.847 . . . . 0.0 109.345 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 591' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -62.31 78.12 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.085 -1.009 . . . . 0.0 109.239 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 592' ' ' GLU . . . . . 0.509 ' N ' ' O ' ' B' ' 590' ' ' SER . 43.4 tt0 -62.14 143.85 56.16 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.261 -0.899 . . . . 0.0 109.596 -179.805 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 593' ' ' GLY . . . . . . . . . . . . . . . 72.93 92.37 0.11 Allowed Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.622 -1.391 . . . . 0.0 109.622 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 594' ' ' SER . . . . . . . . . . . . . 66.3 m -89.14 166.3 13.93 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.094 -1.239 . . . . 0.0 110.305 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 595' ' ' LEU . . . . . . . . . . . . . 37.2 mt -94.76 121.37 36.27 Favored 'General case' 0 C--N 1.298 -1.655 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 596' ' ' LEU . . . . . 0.403 ' CD2' HH21 ' B' ' 604' ' ' ARG . 0.5 OUTLIER -127.4 150.37 49.65 Favored 'General case' 0 N--CA 1.5 2.033 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 597' ' ' ARG . . . . . . . . . . . . . 52.5 mtm180 -87.64 -150.93 0.18 Allowed 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.265 -0.897 . . . . 0.0 110.217 -179.303 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 598' ' ' CYS . . . . . 0.415 ' O ' ' N ' ' B' ' 600' ' ' GLU . 2.1 p -82.92 -90.29 0.08 Allowed 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.358 -0.839 . . . . 0.0 110.643 -178.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 599' ' ' SER . . . . . 0.404 ' O ' ' N ' ' B' ' 602' ' ' TRP . 15.3 t -45.14 -23.97 0.21 Allowed 'General case' 0 N--CA 1.495 1.779 0 CA-C-O 121.9 0.857 . . . . 0.0 109.602 -179.255 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 600' ' ' GLU . . . . . 0.415 ' N ' ' O ' ' B' ' 598' ' ' CYS . 18.4 tp10 -48.01 -39.91 21.08 Favored 'General case' 0 C--N 1.304 -1.396 0 CA-C-O 122.616 1.198 . . . . 0.0 108.522 179.459 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 601' ' ' ILE . . . . . 0.546 ' O ' ' N ' ' B' ' 604' ' ' ARG . 1.1 mp -68.26 -34.55 66.85 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.195 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 -178.587 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 602' ' ' TRP . . . . . 0.415 ' C ' ' O ' ' B' ' 601' ' ' ILE . 61.8 t-105 -45.44 -37.89 5.58 Favored 'General case' 0 N--CA 1.495 1.78 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 179.72 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 603' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -66.89 -42.85 84.82 Favored 'General case' 0 C--N 1.303 -1.417 0 N-CA-C 107.625 -1.25 . . . . 0.0 107.625 177.531 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 604' ' ' ARG . . . . . 0.546 ' N ' ' O ' ' B' ' 601' ' ' ILE . 22.3 ttm-85 -57.29 -39.42 75.69 Favored 'General case' 0 N--CA 1.497 1.91 0 CA-C-O 121.881 0.848 . . . . 0.0 109.233 178.82 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 605' ' ' ILE . . . . . . . . . . . . . 76.1 mt -75.37 -49.72 26.54 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.977 0 O-C-N 121.826 -0.546 . . . . 0.0 111.092 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 606' ' ' THR . . . . . . . . . . . . . 43.1 p -60.12 -51.75 68.25 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.844 -1.16 . . . . 0.0 110.324 -178.746 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 607' ' ' THR . . . . . . . . . . . . . 73.4 p -58.09 -46.08 86.08 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.068 -1.02 . . . . 0.0 110.322 -179.328 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 608' ' ' HIS . . . . . 0.529 ' CG ' ' O ' ' B' ' 604' ' ' ARG . 1.4 m-70 -51.13 111.8 2.57 Favored Pre-proline 0 N--CA 1.491 1.576 0 O-C-N 121.184 -0.948 . . . . 0.0 109.877 -179.329 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 609' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -64.05 3.0 0.85 Allowed 'Trans proline' 0 C--O 1.215 -0.672 0 N-CA-C 108.955 -1.21 . . . . 0.0 108.955 179.18 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 610' ' ' LYS . . . . . 0.498 ' H ' ' C ' ' B' ' 608' ' ' HIS . 34.7 ttmt -69.56 -104.87 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.405 -0.809 . . . . 0.0 109.417 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 611' ' ' TYR . . . . . 0.481 ' O ' ' O ' ' B' ' 610' ' ' LYS . 8.0 t80 60.25 127.33 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.189 -0.944 . . . . 0.0 109.044 -179.706 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 612' ' ' SER . . . . . 0.422 ' OG ' ' O ' ' B' ' 611' ' ' TYR . 34.0 m -172.06 -117.93 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.658 -1.276 . . . . 0.0 109.006 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 613' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -96.43 65.65 2.32 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.21 -0.931 . . . . 0.0 109.158 179.699 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 614' ' ' ILE . . . . . 0.652 HG22 ' N ' ' B' ' 615' ' ' ASP . 79.2 mt -97.04 172.55 1.05 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.786 0 O-C-N 121.388 -0.82 . . . . 0.0 109.441 -179.71 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 615' ' ' ASP . . . . . 0.703 ' O ' HD21 ' B' ' 619' ' ' LEU . 26.5 t70 -121.11 112.87 19.24 Favored 'General case' 0 N--CA 1.494 1.741 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 179.341 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 616' ' ' VAL . . . . . . . . . . . . . 60.3 t -79.36 -16.63 13.21 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.515 0 O-C-N 121.276 -0.89 . . . . 0.0 109.24 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 617' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -74.81 -41.34 60.14 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.285 -0.884 . . . . 0.0 110.82 -179.026 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 618' ' ' GLY . . . . . 0.436 ' O ' ' OE2' ' B' ' 622' ' ' GLU . . . -62.97 -40.52 99.4 Favored Glycine 0 N--CA 1.49 2.267 0 C-N-CA 119.622 -1.275 . . . . 0.0 110.208 -179.296 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 619' ' ' LEU . . . . . 0.703 HD21 ' O ' ' B' ' 615' ' ' ASP . 0.0 OUTLIER -66.8 -24.43 66.18 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 107.123 -1.436 . . . . 0.0 107.123 179.217 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 620' ' ' CYS . . . . . . . . . . . . . 5.6 t -62.57 -54.0 46.3 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.293 -0.879 . . . . 0.0 109.857 179.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 47.0 p -85.13 -10.69 56.48 Favored 'General case' 0 N--CA 1.501 2.119 0 O-C-N 120.745 -1.222 . . . . 0.0 111.416 -179.033 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 622' ' ' GLU . . . . . 0.436 ' OE2' ' O ' ' B' ' 618' ' ' GLY . 0.9 OUTLIER -101.79 -34.17 9.53 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 120.814 -1.179 . . . . 0.0 109.253 178.221 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 623' ' ' LEU . . . . . 0.429 ' CB ' ' O ' ' B' ' 619' ' ' LEU . 1.1 tt -89.42 -22.28 22.61 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.75 -1.219 . . . . 0.0 109.723 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 624' ' ' MET . . . . . . . . . . . . . 5.4 ttt -83.83 -21.34 32.09 Favored 'General case' 0 N--CA 1.503 2.198 0 O-C-N 120.89 -1.131 . . . . 0.0 112.509 -178.451 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 625' ' ' ALA . . . . . . . . . . . . . . . -103.48 -9.02 19.67 Favored 'General case' 0 N--CA 1.509 2.505 0 O-C-N 120.718 -1.239 . . . . 0.0 110.03 -179.469 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 626' ' ' LYS . . . . . . . . . . . . . 63.9 mttm -86.71 -6.26 58.89 Favored 'General case' 0 N--CA 1.491 1.606 0 N-CA-C 106.159 -1.793 . . . . 0.0 106.159 176.516 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 627' ' ' ALA . . . . . . . . . . . . . . . -42.06 138.18 1.66 Allowed 'General case' 0 N--CA 1.492 1.674 0 CA-C-N 115.054 -0.975 . . . . 0.0 111.58 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 628' ' ' LYS . . . . . . . . . . . . . 17.9 tptm -111.29 91.9 3.83 Favored 'General case' 0 N--CA 1.496 1.865 0 N-CA-C 107.736 -1.209 . . . . 0.0 107.736 178.236 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 629' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -54.94 117.76 3.7 Favored 'General case' 0 N--CA 1.494 1.732 0 CA-C-O 122.346 1.07 . . . . 0.0 111.236 -178.034 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 630' ' ' SER . . . . . . . . . . . . . 31.1 t -142.96 160.45 40.32 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 107.633 -1.247 . . . . 0.0 107.633 178.323 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 631' ' ' GLU . . . . . 0.482 ' C ' ' H ' ' B' ' 633' ' ' GLY . 42.1 tt0 -63.97 -23.29 67.28 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.3 -1.5 . . . . 0.0 109.031 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 632' ' ' ARG . . . . . 0.581 ' CG ' HH11 ' B' ' 632' ' ' ARG . 3.7 mtt-85 -79.73 34.85 0.28 Allowed 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 107.579 -1.267 . . . . 0.0 107.579 177.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 633' ' ' GLY . . . . . 0.482 ' H ' ' C ' ' B' ' 631' ' ' GLU . . . 70.06 -170.49 44.18 Favored Glycine 0 N--CA 1.49 2.253 0 N-CA-C 107.684 -2.166 . . . . 0.0 107.684 -178.331 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 634' ' ' VAL . . . . . . . . . . . . . 78.9 t -78.21 141.88 14.88 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.408 0 O-C-N 120.493 -1.592 . . . . 0.0 109.199 179.37 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 31.4 m -131.21 136.33 57.94 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.233 0 O-C-N 121.146 -0.971 . . . . 0.0 109.255 178.608 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 636' ' ' ILE . . . . . . . . . . . . . 22.1 mm -113.29 144.3 21.22 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.928 0 O-C-N 121.78 -0.575 . . . . 0.0 109.546 -179.237 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 637' ' ' ASN . . . . . 0.5 ' O ' ' N ' ' B' ' 639' ' ' GLU . 9.6 p-10 -88.57 130.1 35.33 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.915 -1.116 . . . . 0.0 108.234 178.513 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -46.76 -13.73 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.56 -0.713 . . . . 0.0 110.775 -178.401 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 639' ' ' GLU . . . . . 0.5 ' N ' ' O ' ' B' ' 637' ' ' ASN . 15.5 tp10 -82.66 -25.13 33.37 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.134 -0.979 . . . . 0.0 110.977 -178.78 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 640' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -84.21 -51.71 6.82 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 120.167 -1.583 . . . . 0.0 108.112 178.475 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 641' ' ' VAL . . . . . 0.613 HG13 ' N ' ' B' ' 642' ' ' GLN . 13.0 p -53.66 -50.02 53.23 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.509 0 O-C-N 120.663 -1.273 . . . . 0.0 107.966 177.464 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 642' ' ' GLN . . . . . 0.613 ' N ' HG13 ' B' ' 641' ' ' VAL . 1.3 tm0? -54.36 -31.64 55.06 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.97 -1.081 . . . . 0.0 109.298 179.647 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 643' ' ' LEU . . . . . 0.456 ' O ' ' CG ' ' B' ' 647' ' ' LYS . 18.4 mt -81.91 -26.99 33.63 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.094 -1.004 . . . . 0.0 109.271 179.241 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 644' ' ' ALA . . . . . . . . . . . . . . . -86.59 -36.37 18.91 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.862 -1.149 . . . . 0.0 109.51 179.201 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 645' ' ' LEU . . . . . 0.54 ' O ' ' N ' ' B' ' 647' ' ' LYS . 43.7 mt -74.28 -68.9 0.48 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.688 -1.257 . . . . 0.0 108.432 178.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 646' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -48.19 -9.46 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.178 -0.951 . . . . 0.0 110.236 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 647' ' ' LYS . . . . . 0.549 ' C ' ' H ' ' B' ' 649' ' ' MET . 0.0 OUTLIER -76.78 -81.3 0.09 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.981 -1.074 . . . . 0.0 109.345 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 648' ' ' HIS . . . . . 0.564 ' NE2' ' CD2' ' B' ' 619' ' ' LEU . 1.6 p80 -60.71 25.03 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.105 -0.997 . . . . 0.0 111.8 -178.241 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 649' ' ' MET . . . . . 0.549 ' H ' ' C ' ' B' ' 647' ' ' LYS . 6.8 mmt -93.92 100.5 12.65 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.561 -1.337 . . . . 0.0 109.196 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 650' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 . . . . . 0 N--CA 1.49 1.547 0 CA-C-O 117.955 -1.022 . . . . 0.0 109.504 -179.988 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 279' ' ' ASN . . . . . . . . . . . . . 16.4 m-20 . . . . . 0 N--CA 1.488 1.46 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 280' ' ' LEU . . . . . 0.461 ' C ' ' H ' ' A' ' 282' ' ' SER . 0.1 OUTLIER -127.67 -77.83 0.57 Allowed 'General case' 0 N--CA 1.497 1.916 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 -179.883 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 281' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 57.71 4.54 0.26 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.23 -0.919 . . . . 0.0 109.456 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 282' ' ' SER . . . . . 0.49 ' O ' ' SD ' ' A' ' 284' ' ' MET . 32.2 t -79.74 51.76 1.35 Allowed 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.192 -0.942 . . . . 0.0 109.419 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 283' ' ' ASN . . . . . . . . . . . . . 17.6 p-10 -51.63 113.31 0.94 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.295 -0.878 . . . . 0.0 109.522 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 284' ' ' MET . . . . . 0.588 ' N ' ' SD ' ' A' ' 284' ' ' MET . 2.2 mpt? -79.2 153.62 29.86 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.275 -0.89 . . . . 0.0 109.44 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 285' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -66.9 124.87 24.19 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.285 -0.884 . . . . 0.0 109.55 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 286' ' ' SER . . . . . . . . . . . . . 13.0 t 53.25 -178.97 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.258 -0.901 . . . . 0.0 109.511 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 287' ' ' ASN . . . . . . . . . . . . . 8.5 p-10 -169.47 70.26 0.07 Allowed 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.257 -0.902 . . . . 0.0 109.483 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 288' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -73.39 -29.86 62.89 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.338 -0.851 . . . . 0.0 109.534 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 289' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -65.65 -72.29 0.16 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.227 -0.92 . . . . 0.0 109.597 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 290' ' ' ASN . . . . . 0.472 ' CG ' ' H ' ' A' ' 291' ' ' PHE . 9.2 t-20 -169.85 -167.15 0.63 Allowed 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.247 -0.908 . . . . 0.0 109.305 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 291' ' ' PHE . . . . . 0.472 ' H ' ' CG ' ' A' ' 290' ' ' ASN . 3.7 t80 69.83 83.43 0.15 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.372 -0.83 . . . . 0.0 108.958 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 292' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -85.03 57.57 4.53 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.123 -0.986 . . . . 0.0 109.674 -179.606 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 293' ' ' ASN . . . . . 0.416 ' O ' ' O ' ' A' ' 294' ' ' GLN . 35.2 p30 -66.8 80.54 0.11 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.263 -0.898 . . . . 0.0 109.359 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 294' ' ' GLN . . . . . 0.416 ' O ' ' O ' ' A' ' 293' ' ' ASN . 27.5 mm100 52.02 177.78 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.394 -0.816 . . . . 0.0 109.395 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 295' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -80.34 138.7 36.74 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.19 -0.944 . . . . 0.0 109.312 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 -74.85 -88.78 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.147 -0.971 . . . . 0.0 109.336 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 297' ' ' GLU . . . . . 0.557 ' C ' ' H ' ' A' ' 299' ' ' VAL . 38.4 mt-10 51.38 35.39 13.89 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.248 -0.908 . . . . 0.0 109.641 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 298' ' ' GLN . . . . . 0.413 ' O ' ' O ' ' A' ' 299' ' ' VAL . 31.0 mt-30 63.06 -17.07 0.06 Allowed 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.46 -0.775 . . . . 0.0 110.685 179.752 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 299' ' ' VAL . . . . . 0.557 ' H ' ' C ' ' A' ' 297' ' ' GLU . 3.5 t 60.23 114.18 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.486 1.373 0 O-C-N 120.977 -1.077 . . . . 0.0 109.433 -179.802 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 300' ' ' SER . . . . . 0.556 ' C ' ' N ' ' A' ' 302' ' ' PHE . 8.4 m -179.03 17.52 0.0 OUTLIER 'General case' 0 C--N 1.294 -1.847 0 CA-C-N 115.168 -0.923 . . . . 0.0 109.77 179.042 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 301' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 300' ' ' SER . 42.7 mt-10 -49.18 -20.18 0.56 Allowed 'General case' 0 N--CA 1.492 1.653 0 N-CA-C 106.161 -1.792 . . . . 0.0 106.161 178.143 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 302' ' ' PHE . . . . . 0.556 ' N ' ' C ' ' A' ' 300' ' ' SER . 10.3 t80 -78.42 -65.22 1.01 Allowed 'General case' 0 C--N 1.306 -1.31 0 CA-C-N 114.551 -1.204 . . . . 0.0 109.571 178.254 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 303' ' ' CYS . . . . . . . . . . . . . 4.0 m -58.25 -43.26 87.75 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.043 -1.036 . . . . 0.0 109.075 179.725 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 49.5 m -53.73 -34.06 57.7 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.542 -0.724 . . . . 0.0 110.782 -179.355 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 305' ' ' LYS . . . . . 0.432 ' NZ ' ' CB ' ' A' ' 305' ' ' LYS . 2.3 ttmp? -99.45 -15.21 18.79 Favored 'General case' 0 N--CA 1.504 2.266 0 O-C-N 120.978 -1.077 . . . . 0.0 108.409 178.242 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 306' ' ' MET . . . . . 0.514 ' O ' HG22 ' A' ' 309' ' ' VAL . 4.7 ttt -75.09 -20.83 59.31 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 106.751 -1.574 . . . . 0.0 106.751 176.769 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 307' ' ' ASN . . . . . 0.455 ' O ' ' C ' ' A' ' 308' ' ' GLN . 31.7 m-20 -83.2 -41.67 18.17 Favored 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 105.751 -1.944 . . . . 0.0 105.751 178.129 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 308' ' ' GLN . . . . . 0.525 ' O ' ' N ' ' A' ' 310' ' ' CYS . 42.2 tt0 -36.36 -38.86 0.16 Allowed 'General case' 0 N--CA 1.506 2.36 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 178.512 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 309' ' ' VAL . . . . . 0.514 HG22 ' O ' ' A' ' 306' ' ' MET . 5.6 m -44.8 -17.55 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.501 2.083 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 178.446 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 310' ' ' CYS . . . . . 0.525 ' N ' ' O ' ' A' ' 308' ' ' GLN . 4.9 m -85.92 30.12 0.68 Allowed 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.498 -0.751 . . . . 0.0 108.974 179.174 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 311' ' ' GLY . . . . . . . . . . . . . . . -87.28 116.55 4.51 Favored Glycine 0 N--CA 1.494 2.536 0 N-CA-C 109.393 -1.483 . . . . 0.0 109.393 179.763 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 312' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -98.43 94.23 6.61 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.278 -1.131 . . . . 0.0 109.46 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 313' ' ' ARG . . . . . 0.531 HH11 ' CG ' ' A' ' 313' ' ' ARG . 5.0 mtt-85 . . . . . 0 N--CA 1.492 1.641 0 CA-C-O 117.899 -1.048 . . . . 0.0 109.34 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 565' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 566' ' ' GLY . . . . . 0.464 ' C ' ' H ' ' B' ' 568' ' ' SER . . . 173.08 -52.49 0.16 Allowed Glycine 0 N--CA 1.491 2.327 0 N-CA-C 109.479 -1.448 . . . . 0.0 109.479 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 567' ' ' SER . . . . . . . . . . . . . 15.4 p 55.08 6.86 0.15 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.234 -1.157 . . . . 0.0 109.501 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 568' ' ' SER . . . . . 0.464 ' H ' ' C ' ' B' ' 566' ' ' GLY . 71.9 m -79.6 -89.32 0.06 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.208 -0.932 . . . . 0.0 109.422 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 569' ' ' LEU . . . . . 0.539 HD23 ' N ' ' B' ' 570' ' ' GLN . 1.6 tt -168.34 115.51 0.68 Allowed 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.38 -0.825 . . . . 0.0 109.143 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 570' ' ' GLN . . . . . 0.539 ' N ' HD23 ' B' ' 569' ' ' LEU . 7.3 pt20 -156.08 68.8 0.63 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.287 -0.883 . . . . 0.0 109.385 -179.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 571' ' ' ASN . . . . . . . . . . . . . 35.4 m120 -157.28 105.51 2.11 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.312 -0.868 . . . . 0.0 109.474 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -168.42 3.07 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.179 -0.951 . . . . 0.0 109.553 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 573' ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -63.1 -152.46 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.268 -0.895 . . . . 0.0 109.432 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 574' ' ' LYS . . . . . . . . . . . . . 56.6 mttm 53.83 -137.7 1.19 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.327 -0.858 . . . . 0.0 109.546 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 575' ' ' ILE . . . . . . . . . . . . . 4.1 pt -149.39 89.04 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 121.285 -0.884 . . . . 0.0 109.211 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 576' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -65.36 162.97 16.51 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.286 -0.883 . . . . 0.0 109.411 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 577' ' ' ASN . . . . . . . . . . . . . 73.4 m-20 -158.81 44.98 0.28 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.216 -0.927 . . . . 0.0 109.459 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 578' ' ' GLY . . . . . . . . . . . . . . . 175.35 102.48 0.16 Allowed Glycine 0 N--CA 1.491 2.348 0 N-CA-C 109.504 -1.438 . . . . 0.0 109.504 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 579' ' ' ASN . . . . . 0.442 ' O ' ' N ' ' B' ' 581' ' ' ASN . 14.9 m120 -157.42 135.1 10.66 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.218 -1.166 . . . . 0.0 109.424 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 580' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -70.33 57.85 0.17 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.291 -0.881 . . . . 0.0 109.478 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 581' ' ' ASN . . . . . 0.442 ' N ' ' O ' ' B' ' 579' ' ' ASN . 10.1 m120 52.77 -148.79 0.41 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.23 -0.919 . . . . 0.0 109.418 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 582' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -59.15 114.9 2.84 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.112 -0.992 . . . . 0.0 109.523 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 583' ' ' ASN . . . . . . . . . . . . . 37.2 t-20 -73.83 105.17 4.99 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.225 -0.922 . . . . 0.0 109.409 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 584' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -64.33 145.33 56.21 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.323 -0.861 . . . . 0.0 109.466 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 585' ' ' ASN . . . . . . . . . . . . . 39.2 t30 -63.0 -106.06 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.233 -0.917 . . . . 0.0 109.495 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 586' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -171.36 70.89 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.227 -0.921 . . . . 0.0 109.671 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 587' ' ' VAL . . . . . . . . . . . . . 2.8 t -145.39 9.99 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.852 0 O-C-N 121.237 -0.914 . . . . 0.0 108.953 179.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 588' ' ' VAL . . . . . 0.678 ' H ' ' CD ' ' B' ' 589' ' ' PRO . 2.2 t -112.9 -35.41 0.11 Allowed Pre-proline 0 N--CA 1.501 2.104 0 CA-C-O 118.927 -0.558 . . . . 0.0 111.623 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 589' ' ' PRO . . . . . 0.678 ' CD ' ' H ' ' B' ' 588' ' ' VAL . 2.1 Cg_endo -68.56 123.17 10.19 Favored 'Trans proline' 0 C--O 1.215 -0.666 0 C-N-CA 120.618 0.879 . . . . 0.0 109.914 -178.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 590' ' ' SER . . . . . . . . . . . . . 94.3 p -80.57 -155.07 0.11 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.27 -0.894 . . . . 0.0 109.523 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 591' ' ' LYS . . . . . 0.407 ' HE2' ' H ' ' B' ' 591' ' ' LYS . 1.5 mppt? -50.74 156.45 0.95 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.288 -0.883 . . . . 0.0 108.774 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -82.63 22.7 0.86 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.148 -0.97 . . . . 0.0 109.756 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 593' ' ' GLY . . . . . . . . . . . . . . . -99.23 -153.94 28.19 Favored Glycine 0 N--CA 1.494 2.541 0 N-CA-C 108.7 -1.76 . . . . 0.0 108.7 179.437 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 594' ' ' SER . . . . . . . . . . . . . 57.9 m -123.98 162.54 23.21 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.452 -1.028 . . . . 0.0 109.802 179.488 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 595' ' ' LEU . . . . . . . . . . . . . 23.9 mt -82.71 118.46 23.37 Favored 'General case' 0 C--N 1.298 -1.634 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 179.16 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 596' ' ' LEU . . . . . 0.488 ' O ' ' N ' ' B' ' 636' ' ' ILE . 2.6 mt -127.22 147.87 50.21 Favored 'General case' 0 N--CA 1.504 2.234 0 O-C-N 121.377 -0.827 . . . . 0.0 108.802 -179.36 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 597' ' ' ARG . . . . . 0.471 ' H ' ' HG3' ' B' ' 600' ' ' GLU . 50.7 ttt180 -111.0 -126.17 0.27 Allowed 'General case' 0 N--CA 1.504 2.228 0 O-C-N 121.709 -0.619 . . . . 0.0 111.741 -177.364 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 598' ' ' CYS . . . . . 0.588 ' SG ' ' N ' ' B' ' 599' ' ' SER . 8.6 t -88.21 -97.77 0.09 Allowed 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.379 -0.826 . . . . 0.0 111.19 -178.187 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 599' ' ' SER . . . . . 0.588 ' N ' ' SG ' ' B' ' 598' ' ' CYS . 14.3 t -43.96 -25.88 0.24 Allowed 'General case' 0 N--CA 1.497 1.918 0 CA-C-O 122.197 0.999 . . . . 0.0 109.346 -178.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 600' ' ' GLU . . . . . 0.471 ' HG3' ' H ' ' B' ' 597' ' ' ARG . 20.0 mm-40 -46.61 -40.34 12.78 Favored 'General case' 0 C--N 1.3 -1.566 0 CA-C-O 122.31 1.052 . . . . 0.0 109.085 178.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 601' ' ' ILE . . . . . 0.533 ' O ' ' N ' ' B' ' 604' ' ' ARG . 1.3 mp -71.35 -33.09 49.0 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 -178.581 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 602' ' ' TRP . . . . . 0.413 ' C ' ' O ' ' B' ' 601' ' ' ILE . 64.7 t-105 -45.24 -37.65 4.82 Favored 'General case' 0 N--CA 1.494 1.751 0 N-CA-C 107.599 -1.26 . . . . 0.0 107.599 179.707 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 603' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -69.4 -42.98 74.39 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 177.536 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 604' ' ' ARG . . . . . 0.533 ' N ' ' O ' ' B' ' 601' ' ' ILE . 9.6 mmt-85 -56.96 -30.63 64.23 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.312 -0.868 . . . . 0.0 109.396 179.085 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 605' ' ' ILE . . . . . . . . . . . . . 85.3 mt -83.32 -46.91 18.5 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.0 0 O-C-N 121.423 -0.798 . . . . 0.0 110.902 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 606' ' ' THR . . . . . . . . . . . . . 21.4 p -49.84 -39.98 40.76 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.878 -1.139 . . . . 0.0 110.274 -179.013 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 607' ' ' THR . . . . . . . . . . . . . 29.2 p -39.62 -63.18 0.6 Allowed 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.4 -0.813 . . . . 0.0 111.413 -178.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 608' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -53.08 139.6 44.19 Favored Pre-proline 0 N--CA 1.489 1.49 0 O-C-N 120.946 -1.097 . . . . 0.0 109.244 -178.657 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 609' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -58.65 -12.94 15.74 Favored 'Trans proline' 0 C--O 1.215 -0.673 0 N-CA-C 108.456 -1.401 . . . . 0.0 108.456 179.032 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 610' ' ' LYS . . . . . 0.564 ' C ' ' H ' ' B' ' 612' ' ' SER . 17.3 tptp -172.15 136.15 0.83 Allowed 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 108.971 -0.752 . . . . 0.0 108.971 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 611' ' ' TYR . . . . . 0.571 ' CD1' ' N ' ' B' ' 611' ' ' TYR . 0.3 OUTLIER -53.66 4.19 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.32 -0.863 . . . . 0.0 110.829 -179.788 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 612' ' ' SER . . . . . 0.564 ' H ' ' C ' ' B' ' 610' ' ' LYS . 38.6 p 46.83 51.28 12.69 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.55 -1.344 . . . . 0.0 110.553 179.266 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 613' ' ' ASP . . . . . . . . . . . . . 36.4 t70 47.34 54.09 10.01 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.196 -0.94 . . . . 0.0 111.0 178.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 614' ' ' ILE . . . . . 0.541 ' CG2' ' N ' ' B' ' 615' ' ' ASP . 4.0 mt -82.48 174.91 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.773 0 N-CA-C 107.709 -1.219 . . . . 0.0 107.709 178.781 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 615' ' ' ASP . . . . . 0.541 ' N ' ' CG2' ' B' ' 614' ' ' ILE . 1.1 m-20 -107.49 109.19 20.82 Favored 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 107.621 -1.251 . . . . 0.0 107.621 178.748 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 616' ' ' VAL . . . . . 0.436 HG22 ' H ' ' B' ' 616' ' ' VAL . 8.4 m -74.55 -21.12 17.16 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.63 0 O-C-N 121.247 -0.908 . . . . 0.0 108.733 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 617' ' ' ASP . . . . . . . . . . . . . 57.7 m-20 -78.27 -43.6 27.69 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.435 -0.791 . . . . 0.0 110.327 -179.293 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 618' ' ' GLY . . . . . . . . . . . . . . . -69.47 -55.5 9.96 Favored Glycine 0 N--CA 1.488 2.16 0 N-CA-C 109.298 -1.521 . . . . 0.0 109.298 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 619' ' ' LEU . . . . . 0.69 ' C ' HD12 ' B' ' 619' ' ' LEU . 1.0 OUTLIER -57.2 -19.79 23.01 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.349 -1.089 . . . . 0.0 109.201 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 620' ' ' CYS . . . . . . . . . . . . . 7.0 t -75.09 -43.27 53.97 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.812 -1.18 . . . . 0.0 109.875 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 11.1 m -79.39 -0.33 32.38 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 120.879 -1.138 . . . . 0.0 109.126 179.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 622' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 -92.2 -44.11 8.95 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.356 -0.84 . . . . 0.0 109.525 177.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 623' ' ' LEU . . . . . . . . . . . . . 8.1 mp -85.74 -24.09 27.06 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 120.907 -1.121 . . . . 0.0 110.132 -179.342 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 624' ' ' MET . . . . . 0.44 ' SD ' ' O ' ' B' ' 624' ' ' MET . 0.3 OUTLIER -62.34 -34.07 75.94 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 120.994 -1.066 . . . . 0.0 111.543 -178.282 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 625' ' ' ALA . . . . . 0.435 ' C ' ' N ' ' B' ' 627' ' ' ALA . . . -105.29 -33.31 8.25 Favored 'General case' 0 N--CA 1.505 2.314 0 O-C-N 120.785 -1.197 . . . . 0.0 109.608 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 626' ' ' LYS . . . . . . . . . . . . . 64.9 mttm -61.72 -13.18 20.81 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 106.473 -1.677 . . . . 0.0 106.473 177.328 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 627' ' ' ALA . . . . . 0.435 ' N ' ' C ' ' B' ' 625' ' ' ALA . . . -47.08 137.61 7.53 Favored 'General case' 0 N--CA 1.492 1.663 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.547 -179.723 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 628' ' ' LYS . . . . . . . . . . . . . 59.8 tttm -107.63 91.98 3.88 Favored 'General case' 0 N--CA 1.496 1.86 0 N-CA-C 107.399 -1.334 . . . . 0.0 107.399 178.098 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 629' ' ' CYS . . . . . . . . . . . . . 44.1 t -58.8 137.01 57.93 Favored 'General case' 0 N--CA 1.492 1.652 0 CA-C-O 122.385 1.088 . . . . 0.0 112.402 -177.62 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 630' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -141.52 162.36 35.66 Favored 'General case' 0 N--CA 1.495 1.784 0 N-CA-C 107.29 -1.374 . . . . 0.0 107.29 178.294 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 631' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -69.79 -36.28 75.58 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.296 -1.502 . . . . 0.0 110.386 -178.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 632' ' ' ARG . . . . . 0.544 ' CG ' HH11 ' B' ' 632' ' ' ARG . 0.1 OUTLIER -71.28 -17.3 62.48 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.828 -1.17 . . . . 0.0 108.721 179.794 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 633' ' ' GLY . . . . . . . . . . . . . . . 143.41 179.18 19.83 Favored Glycine 0 N--CA 1.495 2.575 0 N-CA-C 108.915 -1.674 . . . . 0.0 108.915 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 634' ' ' VAL . . . . . 0.495 HG12 ' N ' ' B' ' 635' ' ' VAL . 75.9 t -78.91 162.44 3.95 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.383 0 O-C-N 120.771 -1.429 . . . . 0.0 109.896 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 635' ' ' VAL . . . . . 0.495 ' N ' HG12 ' B' ' 634' ' ' VAL . 22.7 m -152.24 140.7 14.35 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.172 -0.955 . . . . 0.0 108.645 178.153 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 636' ' ' ILE . . . . . 0.488 ' N ' ' O ' ' B' ' 596' ' ' LEU . 68.6 mt -131.43 141.17 46.54 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.973 0 O-C-N 121.482 -0.761 . . . . 0.0 109.355 -179.615 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 637' ' ' ASN . . . . . 0.53 ' O ' ' N ' ' B' ' 639' ' ' GLU . 40.5 m-80 -81.7 133.21 35.33 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.175 -0.953 . . . . 0.0 109.307 179.707 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -46.19 -11.66 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.899 -0.501 . . . . 0.0 110.595 -179.632 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 639' ' ' GLU . . . . . 0.53 ' N ' ' O ' ' B' ' 637' ' ' ASN . 68.6 mt-10 -82.45 -21.77 35.51 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.879 -1.138 . . . . 0.0 110.705 -179.489 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 640' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -81.26 -56.94 3.73 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 120.16 -1.588 . . . . 0.0 107.683 177.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 641' ' ' VAL . . . . . 0.625 HG13 ' N ' ' B' ' 642' ' ' GLN . 7.6 p -51.17 -53.37 15.11 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.533 0 O-C-N 121.103 -0.998 . . . . 0.0 108.519 177.47 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 642' ' ' GLN . . . . . 0.625 ' N ' HG13 ' B' ' 641' ' ' VAL . 43.0 tp60 -47.84 -34.97 9.5 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.907 -1.121 . . . . 0.0 109.224 179.74 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 643' ' ' LEU . . . . . . . . . . . . . 47.3 mt -82.46 -19.7 38.37 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.089 -1.007 . . . . 0.0 108.969 178.354 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 644' ' ' ALA . . . . . 0.487 ' N ' ' O ' ' B' ' 641' ' ' VAL . . . -87.12 -33.06 19.57 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 120.814 -1.179 . . . . 0.0 109.241 178.488 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 645' ' ' LEU . . . . . . . . . . . . . 84.9 mt -87.3 -23.76 24.54 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.997 -1.064 . . . . 0.0 109.804 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 646' ' ' ASN . . . . . . . . . . . . . 54.1 t30 -91.98 -17.5 25.03 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.024 -1.048 . . . . 0.0 110.421 -179.415 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 647' ' ' LYS . . . . . . . . . . . . . 3.6 ttmp? -93.38 -13.1 28.47 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 120.966 -1.084 . . . . 0.0 109.404 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 648' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -108.09 17.99 21.68 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.195 -0.941 . . . . 0.0 109.16 179.37 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 649' ' ' MET . . . . . 0.486 ' SD ' ' OG ' ' B' ' 612' ' ' SER . 42.8 tpp -96.52 100.05 11.66 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.422 -0.798 . . . . 0.0 109.342 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 650' ' ' ASN . . . . . . . . . . . . . 53.1 t30 . . . . . 0 N--CA 1.491 1.62 0 CA-C-O 117.978 -1.01 . . . . 0.0 109.381 179.934 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 279' ' ' ASN . . . . . . . . . . . . . 14.7 p-10 . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 280' ' ' LEU . . . . . 0.586 HD12 ' N ' ' A' ' 280' ' ' LEU . 8.1 mp -67.2 85.79 0.15 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.276 -0.89 . . . . 0.0 109.285 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 281' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 52.83 28.4 6.4 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.199 -0.938 . . . . 0.0 109.521 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 282' ' ' SER . . . . . . . . . . . . . 56.3 m -71.22 85.81 0.78 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.269 -0.895 . . . . 0.0 109.442 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 283' ' ' ASN . . . . . . . . . . . . . 39.9 m-80 -68.45 94.23 0.54 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.173 -0.954 . . . . 0.0 109.425 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 284' ' ' MET . . . . . . . . . . . . . 45.4 mtt -77.14 41.84 0.31 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.267 -0.896 . . . . 0.0 109.485 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 285' ' ' PHE . . . . . 0.41 ' CD2' ' O ' ' A' ' 286' ' ' SER . 43.4 p90 -169.84 -172.56 1.4 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.299 -0.876 . . . . 0.0 109.41 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 286' ' ' SER . . . . . 0.41 ' O ' ' CD2' ' A' ' 285' ' ' PHE . 41.5 t -55.91 127.64 31.31 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.236 -0.915 . . . . 0.0 109.426 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 287' ' ' ASN . . . . . . . . . . . . . 13.3 p30 -64.16 153.35 38.08 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.191 -0.943 . . . . 0.0 109.35 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 288' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -68.2 172.8 5.34 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.221 -0.924 . . . . 0.0 109.466 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 289' ' ' PHE . . . . . 0.5 ' O ' ' CD2' ' A' ' 289' ' ' PHE . 53.7 t80 -167.93 0.42 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.256 -0.903 . . . . 0.0 109.462 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 290' ' ' ASN . . . . . 0.431 ' N ' ' OD1' ' A' ' 290' ' ' ASN . 1.7 m120 55.07 171.57 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.238 -0.914 . . . . 0.0 109.424 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 291' ' ' PHE . . . . . 0.516 ' O ' ' CD2' ' A' ' 291' ' ' PHE . 47.9 t80 50.06 18.2 0.36 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.248 -0.907 . . . . 0.0 109.42 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 292' ' ' GLU . . . . . . . . . . . . . 38.0 mm-40 -139.85 -39.22 0.46 Allowed 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.22 -0.925 . . . . 0.0 109.053 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 293' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 50.54 33.82 8.55 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.265 -0.897 . . . . 0.0 109.484 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 294' ' ' GLN . . . . . . . . . . . . . 37.2 tt0 -66.0 163.85 16.42 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.298 -0.876 . . . . 0.0 109.282 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 295' ' ' PHE . . . . . 0.526 ' CD2' ' O ' ' A' ' 295' ' ' PHE . 31.9 p90 -160.86 109.32 1.59 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.139 -0.976 . . . . 0.0 109.546 179.799 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 296' ' ' ASP . . . . . 0.42 ' O ' ' O ' ' A' ' 297' ' ' GLU . 1.7 m-20 53.67 95.04 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.316 -0.865 . . . . 0.0 109.557 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 297' ' ' GLU . . . . . 0.42 ' O ' ' O ' ' A' ' 296' ' ' ASP . 17.9 pt-20 -53.53 -174.98 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.184 -0.948 . . . . 0.0 109.297 179.808 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 298' ' ' GLN . . . . . 0.427 ' O ' ' O ' ' A' ' 299' ' ' VAL . 3.7 pt20 -172.28 -10.99 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.074 -1.016 . . . . 0.0 109.778 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 299' ' ' VAL . . . . . 0.427 ' O ' ' O ' ' A' ' 298' ' ' GLN . 2.1 p 36.6 96.16 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.5 2.072 0 CA-C-O 122.304 1.05 . . . . 0.0 110.621 -179.607 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 300' ' ' SER . . . . . 0.552 ' C ' ' N ' ' A' ' 302' ' ' PHE . 80.3 p -179.19 26.72 0.0 OUTLIER 'General case' 0 C--N 1.299 -1.611 0 CA-C-N 114.764 -1.107 . . . . 0.0 109.914 178.454 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 301' ' ' GLU . . . . . 0.525 ' CD ' ' H ' ' A' ' 301' ' ' GLU . 17.8 mp0 -52.49 -16.67 0.96 Allowed 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 105.835 -1.913 . . . . 0.0 105.835 177.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 302' ' ' PHE . . . . . 0.552 ' N ' ' C ' ' A' ' 300' ' ' SER . 0.1 OUTLIER -76.99 -66.6 0.8 Allowed 'General case' 0 C--N 1.31 -1.152 0 CA-C-N 114.861 -1.063 . . . . 0.0 108.994 178.379 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 303' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -61.0 -29.72 69.87 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.08 -1.012 . . . . 0.0 108.687 179.625 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 6.3 t -60.01 -37.9 81.07 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.639 -0.663 . . . . 0.0 111.39 -178.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . 53.8 mttp -103.29 -19.91 14.3 Favored 'General case' 0 N--CA 1.509 2.508 0 O-C-N 120.966 -1.084 . . . . 0.0 109.729 179.523 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 306' ' ' MET . . . . . 0.401 ' SD ' ' CE1' ' A' ' 302' ' ' PHE . 2.1 mtt -70.69 -23.81 62.55 Favored 'General case' 0 C--N 1.297 -1.716 0 N-CA-C 106.958 -1.497 . . . . 0.0 106.958 177.367 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 307' ' ' ASN . . . . . 0.451 ' O ' ' C ' ' A' ' 308' ' ' GLN . 67.4 m-20 -88.48 -40.01 13.78 Favored 'General case' 0 N--CA 1.495 1.788 0 N-CA-C 106.797 -1.557 . . . . 0.0 106.797 178.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 308' ' ' GLN . . . . . 0.551 ' O ' ' N ' ' A' ' 310' ' ' CYS . 35.2 tt0 -34.52 -36.7 0.05 OUTLIER 'General case' 0 N--CA 1.508 2.43 0 CA-C-O 121.695 0.76 . . . . 0.0 109.302 178.577 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 309' ' ' VAL . . . . . 0.43 ' N ' ' O ' ' A' ' 307' ' ' ASN . 30.5 t -46.66 -12.87 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.813 0 C-N-CA 120.067 -0.653 . . . . 0.0 109.56 179.141 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 310' ' ' CYS . . . . . 0.551 ' N ' ' O ' ' A' ' 308' ' ' GLN . 0.0 OUTLIER -88.16 16.12 6.59 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.428 -0.795 . . . . 0.0 108.956 179.348 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 311' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 308' ' ' GLN . . . -55.35 131.29 48.71 Favored Glycine 0 N--CA 1.492 2.414 0 N-CA-C 109.851 -1.299 . . . . 0.0 109.851 -179.666 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 312' ' ' THR . . . . . . . . . . . . . 63.0 m -129.9 124.62 33.59 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.576 -0.956 . . . . 0.0 109.31 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 313' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 . . . . . 0 N--CA 1.49 1.556 0 CA-C-O 118.013 -0.994 . . . . 0.0 109.486 179.934 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 565' ' ' ASN . . . . . 0.48 ' O ' ' N ' ' B' ' 567' ' ' SER . 29.3 m-80 . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 566' ' ' GLY . . . . . . . . . . . . . . . 66.81 -68.94 0.18 Allowed Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.402 -1.479 . . . . 0.0 109.402 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 567' ' ' SER . . . . . 0.48 ' N ' ' O ' ' B' ' 565' ' ' ASN . 40.6 t -168.58 172.84 7.82 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.299 -1.118 . . . . 0.0 109.597 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 568' ' ' SER . . . . . . . . . . . . . 54.6 m -67.6 91.29 0.28 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.341 -0.849 . . . . 0.0 109.347 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 569' ' ' LEU . . . . . . . . . . . . . 17.0 mt -66.35 -55.82 14.07 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.218 -0.926 . . . . 0.0 109.364 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 570' ' ' GLN . . . . . . . . . . . . . 25.9 tp60 -168.58 40.81 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.355 -0.841 . . . . 0.0 109.203 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 571' ' ' ASN . . . . . . . . . . . . . 34.5 m120 -75.98 -57.39 3.9 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.382 -0.824 . . . . 0.0 109.183 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -65.07 -165.32 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.435 -0.791 . . . . 0.0 109.282 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 573' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -172.18 -89.62 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.197 -0.94 . . . . 0.0 109.655 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 574' ' ' LYS . . . . . 0.531 ' O ' ' N ' ' B' ' 576' ' ' ASN . 48.8 mttp -152.24 99.12 2.48 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.365 -0.834 . . . . 0.0 109.349 -179.827 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 575' ' ' ILE . . . . . . . . . . . . . 65.1 mt 55.34 -82.87 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 121.392 -0.818 . . . . 0.0 109.82 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 576' ' ' ASN . . . . . 0.531 ' N ' ' O ' ' B' ' 574' ' ' LYS . 40.3 p30 -150.0 69.71 1.02 Allowed 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.104 -0.997 . . . . 0.0 109.261 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 577' ' ' ASN . . . . . 0.429 ' O ' ' O ' ' B' ' 576' ' ' ASN . 9.2 m-20 55.56 168.84 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.25 -0.906 . . . . 0.0 109.505 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 578' ' ' GLY . . . . . 0.458 ' C ' ' H ' ' B' ' 580' ' ' ASP . . . 161.77 -5.76 0.09 OUTLIER Glycine 0 N--CA 1.49 2.245 0 N-CA-C 109.541 -1.424 . . . . 0.0 109.541 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 579' ' ' ASN . . . . . . . . . . . . . 38.5 p-10 -75.47 30.01 0.1 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.236 -1.155 . . . . 0.0 109.484 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 580' ' ' ASP . . . . . 0.458 ' H ' ' C ' ' B' ' 578' ' ' GLY . 23.9 t0 -63.82 -36.44 83.9 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.22 -0.925 . . . . 0.0 109.51 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 581' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -64.51 -46.13 84.28 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.233 -0.917 . . . . 0.0 109.482 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 582' ' ' ASP . . . . . 0.437 ' OD1' ' N ' ' B' ' 583' ' ' ASN . 8.9 t70 -63.91 153.25 37.53 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.252 -0.905 . . . . 0.0 109.47 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 583' ' ' ASN . . . . . 0.48 ' O ' ' N ' ' B' ' 585' ' ' ASN . 22.7 p30 -170.27 -171.99 1.21 Allowed 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.255 -0.903 . . . . 0.0 109.476 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 584' ' ' ASP . . . . . 0.411 ' N ' ' OD1' ' B' ' 584' ' ' ASP . 37.7 p-10 -69.44 54.57 0.11 Allowed 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.214 -0.928 . . . . 0.0 109.463 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 585' ' ' ASN . . . . . 0.48 ' N ' ' O ' ' B' ' 583' ' ' ASN . 13.9 m120 53.29 -137.44 1.23 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.273 -0.892 . . . . 0.0 109.495 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 586' ' ' ASP . . . . . 0.434 ' O ' ' O ' ' B' ' 585' ' ' ASN . 17.2 t70 60.86 142.82 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.414 -0.804 . . . . 0.0 109.639 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 587' ' ' VAL . . . . . . . . . . . . . 4.0 t -148.24 149.48 15.17 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.293 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 179.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 588' ' ' VAL . . . . . . . . . . . . . 4.2 t 59.13 68.93 1.46 Allowed Pre-proline 0 C--N 1.296 -1.743 0 O-C-N 121.581 -0.7 . . . . 0.0 109.468 -179.606 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 589' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -60.67 -179.83 0.3 Allowed 'Trans proline' 0 C--N 1.318 -1.039 0 C-N-CA 121.446 1.431 . . . . 0.0 109.769 -179.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 590' ' ' SER . . . . . . . . . . . . . 10.0 p 57.25 -157.76 0.28 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.215 -0.928 . . . . 0.0 109.4 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 591' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -170.83 142.06 1.87 Allowed 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.315 -0.866 . . . . 0.0 109.517 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -148.52 142.19 25.54 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.244 -0.91 . . . . 0.0 109.37 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 593' ' ' GLY . . . . . . . . . . . . . . . -171.39 90.07 0.09 OUTLIER Glycine 0 N--CA 1.49 2.245 0 N-CA-C 109.333 -1.507 . . . . 0.0 109.333 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 594' ' ' SER . . . . . . . . . . . . . 66.8 m -78.79 165.49 23.52 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.228 -1.16 . . . . 0.0 110.061 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 595' ' ' LEU . . . . . 0.569 HD12 ' N ' ' B' ' 595' ' ' LEU . 8.0 mp -92.57 118.77 31.35 Favored 'General case' 0 C--N 1.3 -1.57 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 596' ' ' LEU . . . . . 0.496 HD12 ' H ' ' B' ' 596' ' ' LEU . 0.0 OUTLIER -127.32 158.03 38.32 Favored 'General case' 0 N--CA 1.502 2.152 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 179.893 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 597' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -101.24 -142.76 0.34 Allowed 'General case' 0 N--CA 1.501 2.086 0 O-C-N 121.177 -0.952 . . . . 0.0 111.353 -178.401 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 598' ' ' CYS . . . . . 0.551 ' O ' ' N ' ' B' ' 600' ' ' GLU . 7.1 p -74.36 -103.52 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.459 -0.775 . . . . 0.0 111.421 -178.046 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 599' ' ' SER . . . . . 0.498 ' O ' ' N ' ' B' ' 602' ' ' TRP . 26.1 t -44.59 -16.95 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.919 0 CA-C-O 122.041 0.924 . . . . 0.0 109.451 -179.251 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 600' ' ' GLU . . . . . 0.551 ' N ' ' O ' ' B' ' 598' ' ' CYS . 8.3 tp10 -43.85 -42.13 5.51 Favored 'General case' 0 C--N 1.302 -1.467 0 CA-C-O 122.573 1.177 . . . . 0.0 108.953 179.095 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 601' ' ' ILE . . . . . 0.536 ' O ' ' N ' ' B' ' 604' ' ' ARG . 1.3 mp -69.52 -33.06 55.31 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.086 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 -178.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 602' ' ' TRP . . . . . 0.498 ' N ' ' O ' ' B' ' 599' ' ' SER . 62.0 t-105 -44.94 -37.6 4.09 Favored 'General case' 0 N--CA 1.494 1.754 0 N-CA-C 107.817 -1.179 . . . . 0.0 107.817 179.725 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 603' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -69.17 -43.81 73.5 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 107.534 -1.284 . . . . 0.0 107.534 177.543 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 604' ' ' ARG . . . . . 0.569 HH11 ' CG ' ' B' ' 604' ' ' ARG . 0.0 OUTLIER -56.07 -42.74 77.15 Favored 'General case' 0 N--CA 1.497 1.924 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 178.683 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 605' ' ' ILE . . . . . . . . . . . . . 54.8 mt -72.23 -46.54 57.36 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.796 0 O-C-N 121.701 -0.625 . . . . 0.0 109.947 179.181 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 606' ' ' THR . . . . . 0.516 ' C ' ' H ' ' B' ' 608' ' ' HIS . 18.0 m -60.48 -50.21 74.49 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 120.939 -1.1 . . . . 0.0 109.85 -179.418 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 607' ' ' THR . . . . . . . . . . . . . 62.9 p -60.73 11.07 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.987 -1.071 . . . . 0.0 111.159 -179.147 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 608' ' ' HIS . . . . . 0.516 ' H ' ' C ' ' B' ' 606' ' ' THR . 1.9 m-70 -68.42 151.46 97.21 Favored Pre-proline 0 N--CA 1.49 1.558 0 O-C-N 120.634 -1.291 . . . . 0.0 107.558 179.044 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 609' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -58.44 -33.52 97.98 Favored 'Trans proline' 0 C--N 1.32 -0.967 0 N-CA-C 108.893 -1.233 . . . . 0.0 108.893 -179.573 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 610' ' ' LYS . . . . . 0.431 ' NZ ' ' CB ' ' B' ' 610' ' ' LYS . 2.8 ttmp? -172.57 132.82 0.59 Allowed 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 611' ' ' TYR . . . . . 0.431 ' O ' ' O ' ' B' ' 610' ' ' LYS . 0.2 OUTLIER -55.56 -169.48 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.054 -1.029 . . . . 0.0 108.785 -179.745 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 612' ' ' SER . . . . . . . . . . . . . 4.6 t -178.74 -81.41 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.195 -0.941 . . . . 0.0 109.58 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 613' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -172.43 78.3 0.05 OUTLIER 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.178 -0.951 . . . . 0.0 109.914 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 614' ' ' ILE . . . . . 0.735 HG22 ' H ' ' B' ' 615' ' ' ASP . 68.4 mt -97.26 -179.78 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.911 0 O-C-N 121.307 -0.871 . . . . 0.0 109.225 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 615' ' ' ASP . . . . . 0.735 ' H ' HG22 ' B' ' 614' ' ' ILE . 75.9 m-20 -118.91 106.44 12.48 Favored 'General case' 0 N--CA 1.495 1.798 0 N-CA-C 108.153 -1.055 . . . . 0.0 108.153 179.327 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 616' ' ' VAL . . . . . . . . . . . . . 17.5 t -80.27 -16.77 12.72 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.623 0 O-C-N 121.426 -0.796 . . . . 0.0 109.169 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 617' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -72.74 -46.65 52.42 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.323 -0.861 . . . . 0.0 110.672 -178.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 618' ' ' GLY . . . . . . . . . . . . . . . -69.35 -41.99 76.16 Favored Glycine 0 N--CA 1.492 2.379 0 N-CA-C 109.568 -1.413 . . . . 0.0 109.568 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 619' ' ' LEU . . . . . 0.716 HD22 HD21 ' B' ' 645' ' ' LEU . 20.5 tp -61.95 -22.57 65.74 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.283 -1.128 . . . . 0.0 108.622 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 620' ' ' CYS . . . . . . . . . . . . . 19.1 t -73.37 -48.82 31.02 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.124 -0.985 . . . . 0.0 110.898 -179.47 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 24.9 m -80.78 0.13 36.14 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 120.83 -1.169 . . . . 0.0 109.356 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 622' ' ' GLU . . . . . 0.482 ' OE2' ' NZ ' ' B' ' 626' ' ' LYS . 5.7 tp10 -98.24 -48.81 4.94 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.549 -0.719 . . . . 0.0 110.047 178.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 623' ' ' LEU . . . . . 0.576 HD11 HD11 ' B' ' 619' ' ' LEU . 14.4 mt -85.73 -19.26 31.08 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 120.312 -1.492 . . . . 0.0 110.119 -179.74 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 624' ' ' MET . . . . . . . . . . . . . 28.3 ttt -73.33 -30.26 63.23 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.128 -0.983 . . . . 0.0 111.679 -178.308 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 625' ' ' ALA . . . . . . . . . . . . . . . -103.94 -5.86 21.84 Favored 'General case' 0 N--CA 1.506 2.339 0 O-C-N 120.8 -1.188 . . . . 0.0 109.752 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 626' ' ' LYS . . . . . 0.482 ' NZ ' ' OE2' ' B' ' 622' ' ' GLU . 42.7 mttp -89.01 -9.31 51.84 Favored 'General case' 0 N--CA 1.492 1.645 0 N-CA-C 106.066 -1.827 . . . . 0.0 106.066 176.271 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 627' ' ' ALA . . . . . . . . . . . . . . . -42.71 140.65 1.24 Allowed 'General case' 0 N--CA 1.491 1.585 0 CA-C-N 115.268 -0.878 . . . . 0.0 111.108 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 628' ' ' LYS . . . . . . . . . . . . . 44.2 mtmt -120.78 92.39 3.75 Favored 'General case' 0 N--CA 1.498 1.947 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 178.587 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 629' ' ' CYS . . . . . . . . . . . . . 1.3 m -51.3 117.38 2.56 Favored 'General case' 0 N--CA 1.494 1.768 0 CA-C-O 122.25 1.024 . . . . 0.0 111.748 -177.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 630' ' ' SER . . . . . . . . . . . . . 31.1 t -142.79 158.23 43.84 Favored 'General case' 0 N--CA 1.496 1.832 0 N-CA-C 107.391 -1.337 . . . . 0.0 107.391 177.702 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 631' ' ' GLU . . . . . 0.615 ' H ' ' CD ' ' B' ' 631' ' ' GLU . 12.4 pm0 -62.88 -23.56 67.38 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.247 -1.533 . . . . 0.0 109.806 -179.42 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 51.2 ttt180 -78.52 34.27 0.21 Allowed 'General case' 0 N--CA 1.491 1.598 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 178.149 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 633' ' ' GLY . . . . . 0.491 ' H ' ' C ' ' B' ' 631' ' ' GLU . . . 73.54 -171.89 51.16 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 107.476 -2.25 . . . . 0.0 107.476 -178.416 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 634' ' ' VAL . . . . . . . . . . . . . 7.1 p -76.71 140.34 17.34 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.385 0 O-C-N 120.341 -1.682 . . . . 0.0 109.22 179.253 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 15.8 m -133.16 135.86 56.02 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.121 0 O-C-N 121.117 -0.99 . . . . 0.0 109.598 179.052 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 636' ' ' ILE . . . . . 0.431 ' O ' HD12 ' B' ' 596' ' ' LEU . 95.2 mt -133.26 156.88 42.42 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.835 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 -179.576 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 637' ' ' ASN . . . . . 0.501 ' O ' ' N ' ' B' ' 639' ' ' GLU . 5.8 m120 -87.17 126.08 34.57 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.882 -1.136 . . . . 0.0 110.887 -179.188 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -48.29 -10.46 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.881 -0.512 . . . . 0.0 109.854 178.46 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 639' ' ' GLU . . . . . 0.501 ' N ' ' O ' ' B' ' 637' ' ' ASN . 37.8 tt0 -74.94 -17.39 60.56 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.028 -1.045 . . . . 0.0 109.331 179.165 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 640' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -87.96 -41.53 13.08 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 120.59 -1.319 . . . . 0.0 108.729 177.655 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 641' ' ' VAL . . . . . 0.418 ' H ' HG13 ' B' ' 641' ' ' VAL . 1.0 OUTLIER -70.38 -34.98 60.35 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.901 0 O-C-N 120.857 -1.152 . . . . 0.0 108.802 179.024 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 642' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -70.32 -38.54 74.92 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.347 -0.845 . . . . 0.0 109.717 -179.673 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 643' ' ' LEU . . . . . . . . . . . . . 88.1 mt -83.63 -19.15 35.95 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.013 -1.054 . . . . 0.0 108.865 178.735 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 644' ' ' ALA . . . . . . . . . . . . . . . -86.79 -53.14 5.09 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.908 -1.12 . . . . 0.0 108.066 178.01 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 645' ' ' LEU . . . . . 0.716 HD21 HD22 ' B' ' 619' ' ' LEU . 86.3 mt -56.22 -70.09 0.13 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.312 -0.868 . . . . 0.0 109.194 178.419 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 646' ' ' ASN . . . . . . . . . . . . . 33.7 p-10 -47.57 -9.79 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.944 -1.097 . . . . 0.0 110.948 -178.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 647' ' ' LYS . . . . . 0.535 ' N ' ' O ' ' B' ' 645' ' ' LEU . 22.7 ttmt -100.96 174.24 6.11 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.075 -1.016 . . . . 0.0 109.785 -179.502 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 648' ' ' HIS . . . . . 0.496 ' N ' ' CG ' ' B' ' 647' ' ' LYS . 63.4 m-70 55.71 9.59 0.44 Allowed 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 -179.713 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 649' ' ' MET . . . . . 0.432 ' H ' ' C ' ' B' ' 647' ' ' LYS . 13.4 ttm -94.23 144.2 25.72 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.554 -0.716 . . . . 0.0 109.563 -179.099 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 650' ' ' ASN . . . . . 0.411 ' ND2' ' O ' ' B' ' 649' ' ' MET . 22.3 m120 . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 117.95 -1.024 . . . . 0.0 109.369 -179.963 . . . . . . . . 1 1 . 1 stop_ save_