data_2jw6_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 2jw6 _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 ' 503' ' ' SER . . . . . 0.652 ' HA ' ' HA ' ' A' ' 510' ' ' GLU . 23.3 m . . . . . 0 N--CA 1.444 -0.758 0 N-CA-C 106.889 -1.523 . . . . 1.8600000000000001 106.889 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 504' ' ' CYS . . . . . 0.626 ' HB2' ' HB3' ' A' ' 524' ' ' CYS . 49.1 t -48.88 119.47 3.2 Favored 'General case' 0 N--CA 1.443 -0.79 0 C-N-CA 119.028 -1.069 . . . . 0.56999999999999995 109.1 171.491 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 505' ' ' VAL . . . . . 0.439 HG13 ' O ' ' A' ' 505' ' ' VAL . 21.3 t -76.17 19.87 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-O 122.05 0.929 . . . . 1.3100000000000001 109.38 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 506' ' ' ASN . . . . . 0.551 ' H ' ' C ' ' A' ' 504' ' ' CYS . 3.0 t-20 -139.0 -40.91 0.48 Allowed 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 115.265 -0.879 . . . . 1.9299999999999999 112.438 -179.161 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -137.26 -87.45 0.29 Allowed 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 114.076 1.139 . . . . 1.0 114.076 -174.78 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 508' ' ' GLY . . . . . . . . . . . . . . . -112.47 -115.06 3.36 Favored Glycine 0 N--CA 1.451 -0.334 0 N-CA-C 115.445 0.938 . . . . 1.26 115.445 -159.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 509' ' ' ARG . . . . . . . . . . . . . 52.5 mtm180 -65.07 -178.83 0.49 Allowed 'General case' 0 CA--C 1.517 -0.29 0 C-N-CA 123.065 0.546 . . . . 5.5800000000000001 111.581 -169.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 510' ' ' GLU . . . . . 0.652 ' HA ' ' HA ' ' A' ' 503' ' ' SER . 9.6 pt-20 -58.62 -49.0 79.11 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.415 0.524 . . . . 2.8199999999999998 112.415 -168.083 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 511' ' ' ALA . . . . . 0.502 ' HB3' ' O ' ' A' ' 510' ' ' GLU . . . 164.87 156.82 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 123.547 0.529 . . . . 1.3700000000000001 111.376 -176.047 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 27.2 ttt -100.14 -62.96 1.17 Allowed 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.016 -1.105 . . . . 2.5800000000000001 108.016 167.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 27.4 p -118.66 172.22 7.65 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.606 -0.725 . . . . 1.47 110.624 170.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 514' ' ' GLU . . . . . 0.439 ' HB2' ' HB3' ' A' ' 519' ' ' HIS . 41.7 mt-10 -102.71 157.79 16.7 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 108.774 -0.824 . . . . 0.97999999999999998 108.774 170.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 515' ' ' CYS . . . . . 0.459 ' HB2' HG22 ' A' ' 521' ' ' VAL . 45.7 t -38.75 109.24 0.1 Allowed 'General case' 0 N--CA 1.47 0.528 0 O-C-N 124.05 0.844 . . . . 0.38 111.552 -178.782 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 15.6 p -73.84 34.56 0.09 Allowed 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 113.084 0.772 . . . . 1.1000000000000001 113.084 -170.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 517' ' ' GLY . . . . . 0.442 ' H ' ' C ' ' A' ' 515' ' ' CYS . . . -132.8 -4.31 3.43 Favored Glycine 0 N--CA 1.443 -0.878 0 N-CA-C 111.099 -0.8 . . . . 0.44 111.099 171.019 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 21.1 p -164.39 -38.19 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.396 0 CA-C-O 121.566 0.698 . . . . 0.38 110.778 -176.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 519' ' ' HIS . . . . . 0.439 ' HB3' ' HB2' ' A' ' 514' ' ' GLU . 7.1 m170 67.26 38.84 3.2 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 114.348 -1.296 . . . . 0.38 109.899 -175.614 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 21.8 mtpp -97.6 -7.66 30.65 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-N 115.897 -0.592 . . . . 2.9300000000000002 112.023 176.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 521' ' ' VAL . . . . . 0.459 HG22 ' HB2' ' A' ' 515' ' ' CYS . 19.2 m -140.74 162.13 23.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 107.216 -1.402 . . . . 1.1499999999999999 107.216 178.615 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 -148.06 145.7 28.55 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-O 121.367 0.603 . . . . 1.75 111.35 -171.121 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 523' ' ' TYR . . . . . 0.716 ' HB3' ' HB2' ' A' ' 528' ' ' CYS . 96.1 m-85 -139.63 159.28 42.54 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 115.191 -0.913 . . . . 0.89000000000000001 109.856 -179.248 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 524' ' ' CYS . . . . . 0.626 ' HB3' ' HB2' ' A' ' 504' ' ' CYS . 17.1 p -67.77 -43.89 78.77 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.265 0.555 . . . . 0.37 110.825 -174.783 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 9.3 t -125.25 179.48 5.06 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.521 -0.763 . . . . 1.6799999999999999 110.425 179.112 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 30.5 m -70.32 -41.57 73.08 Favored 'General case' 0 C--O 1.235 0.322 0 N-CA-C 112.354 0.502 . . . . 1.26 112.354 -178.186 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 527' ' ' PHE . . . . . . . . . . . . . 46.6 p90 -58.23 -37.46 74.93 Favored 'General case' 0 N--CA 1.463 0.182 0 N-CA-C 111.689 0.255 . . . . 0.5 111.689 -173.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 528' ' ' CYS . . . . . 0.716 ' HB2' ' HB3' ' A' ' 523' ' ' TYR . 0.5 OUTLIER -57.86 -43.94 86.29 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.222 0.534 . . . . 0.84999999999999998 111.071 -179.563 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 529' ' ' GLN . . . . . 0.724 ' O ' ' HB3' ' A' ' 533' ' ' TRP . 28.2 tp60 -67.1 -40.1 86.85 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.277 -0.874 . . . . 2.8599999999999999 109.836 -174.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 7.2 ttm180 -71.23 -36.81 71.97 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.679 -0.691 . . . . 4.5899999999999999 110.538 -179.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 531' ' ' LYS . . . . . 0.47 ' O ' ' HG2' ' A' ' 534' ' ' LYS . 9.2 mtpm? -69.58 -60.37 2.37 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.169 0.509 . . . . 3.6699999999999999 111.701 -179.253 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 532' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -83.4 -15.54 49.36 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 113.385 0.883 . . . . 2.6099999999999999 113.385 -164.13 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 533' ' ' TRP . . . . . 0.724 ' HB3' ' O ' ' A' ' 529' ' ' GLN . 0.0 OUTLIER -72.14 3.8 4.18 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 111.868 0.322 . . . . 0.68999999999999995 111.868 -178.422 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 534' ' ' LYS . . . . . 0.483 ' HA ' ' OE1' ' A' ' 537' ' ' GLN . 1.2 mmpp? -50.15 -32.06 15.12 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 120.739 0.304 . . . . 2.5800000000000001 111.162 177.01 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 535' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -86.58 -32.32 20.72 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.531 0.681 . . . . 2.04 110.797 177.191 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 536' ' ' HIS . . . . . 0.412 ' O ' HG12 ' A' ' 539' ' ' ILE . 43.2 t60 -79.09 -33.22 44.68 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.139 -0.937 . . . . 0.68000000000000005 112.829 -174.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 537' ' ' GLN . . . . . 0.506 ' HB3' ' CE2' ' A' ' 533' ' ' TRP . 19.7 pt20 -50.77 -24.59 3.57 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-O 121.097 0.475 . . . . 1.8899999999999999 111.939 -177.556 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 538' ' ' HIS . . . . . . . . . . . . . 26.0 m-70 -75.23 -17.08 60.41 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.617 -0.719 . . . . 0.85999999999999999 111.541 -177.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 539' ' ' ILE . . . . . 0.412 HG12 ' O ' ' A' ' 536' ' ' HIS . 27.9 pt -120.27 -10.65 10.25 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 C-N-CA 120.64 -0.424 . . . . 1.8999999999999999 110.99 -173.44 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 4.6 t . . . . . 0 N--CA 1.444 -0.736 0 CA-C-O 121.567 0.698 . . . . 0.62 110.256 -178.031 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 20.6 m . . . . . 0 N--CA 1.444 -0.756 0 N-CA-C 106.385 -1.709 . . . . 1.8600000000000001 106.385 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 504' ' ' CYS . . . . . 0.738 ' HB2' ' HB3' ' A' ' 524' ' ' CYS . 40.3 t -49.54 120.23 4.01 Favored 'General case' 0 N--CA 1.446 -0.627 0 C-N-CA 119.469 -0.892 . . . . 0.56999999999999995 108.831 168.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 505' ' ' VAL . . . . . 0.441 ' O ' HG12 ' A' ' 505' ' ' VAL . 16.1 t -75.95 19.46 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 121.966 0.889 . . . . 1.3100000000000001 109.865 179.778 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 506' ' ' ASN . . . . . 0.599 ' HB3' ' HB3' ' A' ' 528' ' ' CYS . 6.9 t30 -138.28 -43.33 0.51 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.693 -0.685 . . . . 1.9299999999999999 112.249 -176.687 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -148.1 -89.06 0.08 Allowed 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 114.353 1.242 . . . . 1.0 114.353 -176.631 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 508' ' ' GLY . . . . . . . . . . . . . . . -83.18 -130.3 1.59 Allowed Glycine 0 C--N 1.333 0.416 0 N-CA-C 115.676 1.03 . . . . 1.26 115.676 -160.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 509' ' ' ARG . . . . . 0.485 ' HB3' ' H ' ' A' ' 510' ' ' GLU . 30.9 mtt-85 -75.43 -162.89 0.21 Allowed 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 113.115 0.783 . . . . 5.5800000000000001 113.115 -170.351 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 510' ' ' GLU . . . . . 0.485 ' H ' ' HB3' ' A' ' 509' ' ' ARG . 0.2 OUTLIER -57.11 -50.81 71.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.133 -0.94 . . . . 2.8199999999999998 112.511 -163.376 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 511' ' ' ALA . . . . . 0.457 ' HB1' ' O ' ' A' ' 510' ' ' GLU . . . 170.77 153.56 0.06 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.032 0.444 . . . . 1.3700000000000001 111.42 -175.787 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 17.7 tpt -110.99 -72.2 0.73 Allowed 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 107.831 -1.174 . . . . 2.5800000000000001 107.831 169.026 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 21.7 p -118.3 171.98 7.76 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-O 121.53 0.681 . . . . 1.47 110.375 169.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 514' ' ' GLU . . . . . 0.448 ' HB2' ' CG ' ' A' ' 519' ' ' HIS . 4.2 mt-10 -97.36 154.85 17.18 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 114.999 -1.0 . . . . 0.97999999999999998 109.138 172.31 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 515' ' ' CYS . . . . . 0.488 ' HA ' ' HG3' ' A' ' 529' ' ' GLN . 10.8 t -40.41 111.41 0.2 Allowed 'General case' 0 N--CA 1.468 0.436 0 O-C-N 123.911 0.757 . . . . 0.38 111.46 177.689 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 44.9 p -71.5 22.46 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.856 0.688 . . . . 1.1000000000000001 112.856 -173.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 517' ' ' GLY . . . . . 0.452 ' H ' ' C ' ' A' ' 515' ' ' CYS . . . -114.17 -13.92 9.56 Favored Glycine 0 N--CA 1.442 -0.933 0 N-CA-C 111.506 -0.638 . . . . 0.44 111.506 171.035 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 24.1 p -158.99 -39.41 0.06 Allowed 'General case' 0 CA--C 1.535 0.392 0 CA-C-O 121.412 0.625 . . . . 0.38 111.484 -175.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 519' ' ' HIS . . . . . 0.448 ' CG ' ' HB2' ' A' ' 514' ' ' GLU . 9.7 m170 72.45 23.81 3.07 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 125.066 1.346 . . . . 0.38 110.792 -175.592 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 56.3 mtpt -79.9 -8.07 59.1 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 116.223 -0.444 . . . . 2.9300000000000002 111.568 178.209 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 521' ' ' VAL . . . . . . . . . . . . . 11.5 m -141.76 163.43 19.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 108.325 -0.991 . . . . 1.1499999999999999 108.325 -177.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -137.06 143.73 42.8 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 121.339 0.59 . . . . 1.75 110.776 -173.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 523' ' ' TYR . . . . . 0.832 ' HB3' ' HB2' ' A' ' 528' ' ' CYS . 79.4 m-85 -139.41 160.47 39.77 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.185 -0.916 . . . . 0.89000000000000001 109.86 -175.116 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 524' ' ' CYS . . . . . 0.738 ' HB3' ' HB2' ' A' ' 504' ' ' CYS . 13.0 p -76.47 -37.32 57.07 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.982 0.42 . . . . 0.37 110.885 -177.535 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 28.9 t -127.38 179.08 5.66 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.913 -0.585 . . . . 1.6799999999999999 111.242 174.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 18.5 m -72.07 -36.44 69.54 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 122.512 0.325 . . . . 1.26 111.738 177.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 527' ' ' PHE . . . . . . . . . . . . . 20.0 p90 -63.05 -33.61 75.8 Favored 'General case' 0 CA--C 1.523 -0.086 0 C-N-CA 120.488 -0.485 . . . . 0.5 110.899 -176.24 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 528' ' ' CYS . . . . . 0.832 ' HB2' ' HB3' ' A' ' 523' ' ' TYR . 1.3 m -58.23 -42.08 85.54 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-O 121.34 0.591 . . . . 0.84999999999999998 110.801 176.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 529' ' ' GLN . . . . . 0.53 ' HA ' ' CE2' ' A' ' 523' ' ' TYR . 22.0 tt0 -59.42 -49.98 75.72 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-N 114.331 -1.304 . . . . 2.8599999999999999 109.409 -174.46 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 18.8 mtt180 -78.95 -27.73 43.63 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 114.187 -1.37 . . . . 4.5899999999999999 112.635 -174.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 531' ' ' LYS . . . . . 0.774 ' O ' ' HE2' ' A' ' 534' ' ' LYS . 61.0 mttp -72.08 -59.25 2.84 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.817 0.341 . . . . 3.6699999999999999 111.002 178.001 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 532' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -57.6 -28.32 63.52 Favored 'General case' 0 CA--C 1.511 -0.531 0 CA-C-O 121.778 0.799 . . . . 2.6099999999999999 111.319 -177.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 533' ' ' TRP . . . . . 1.031 ' HA ' ' HB3' ' A' ' 536' ' ' HIS . 0.0 OUTLIER -64.36 -10.0 21.67 Favored 'General case' 0 N--CA 1.438 -1.058 0 CA-C-N 114.564 -1.198 . . . . 0.68999999999999995 112.527 -170.101 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 534' ' ' LYS . . . . . 0.774 ' HE2' ' O ' ' A' ' 531' ' ' LYS . 28.5 mtmt -64.23 -15.8 60.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 121.017 -1.052 . . . . 2.5800000000000001 110.005 176.134 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 535' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -101.78 -43.4 5.85 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.199 -0.91 . . . . 2.04 109.443 168.21 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 536' ' ' HIS . . . . . 1.031 ' HB3' ' HA ' ' A' ' 533' ' ' TRP . 66.6 t60 -62.95 -28.4 70.05 Favored 'General case' 0 CA--C 1.549 0.908 0 CA-C-N 114.683 -1.144 . . . . 0.68000000000000005 113.658 -177.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 537' ' ' GLN . . . . . 0.404 ' HB3' ' CE2' ' A' ' 533' ' ' TRP . 3.1 pt20 -49.46 -31.9 10.87 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 118.201 0.455 . . . . 1.8899999999999999 111.624 -178.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 538' ' ' HIS . . . . . . . . . . . . . 41.7 m-70 -72.14 -15.65 61.98 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.717 -0.674 . . . . 0.85999999999999999 111.33 -177.281 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 539' ' ' ILE . . . . . . . . . . . . . 29.3 pt -120.13 0.25 7.65 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.357 0 CA-C-O 120.964 0.412 . . . . 1.8999999999999999 110.004 -175.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 2.0 t . . . . . 0 N--CA 1.445 -0.694 0 N-CA-C 109.232 -0.655 . . . . 0.62 109.232 175.787 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 48.9 m . . . . . 0 N--CA 1.444 -0.729 0 N-CA-C 108.242 -1.021 . . . . 1.8600000000000001 108.242 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 504' ' ' CYS . . . . . 0.872 ' HB2' ' HB3' ' A' ' 524' ' ' CYS . 41.3 t -65.76 106.44 1.51 Allowed 'General case' 0 N--CA 1.441 -0.882 0 N-CA-C 107.794 -1.188 . . . . 0.56999999999999995 107.794 169.593 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 505' ' ' VAL . . . . . 0.498 ' HB ' ' CE2' ' A' ' 523' ' ' TYR . 26.0 t -69.85 7.74 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 121.95 0.881 . . . . 1.3100000000000001 110.345 -178.602 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 506' ' ' ASN . . . . . 0.614 ' HB3' ' HB3' ' A' ' 528' ' ' CYS . 25.3 t-20 -120.87 -45.16 2.39 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.787 -0.642 . . . . 1.9299999999999999 111.977 -179.825 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 507' ' ' CYS . . . . . 0.452 ' N ' ' SG ' ' A' ' 504' ' ' CYS . 0.5 OUTLIER -149.44 -48.44 0.14 Allowed 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 114.971 1.471 . . . . 1.0 114.971 -169.458 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 508' ' ' GLY . . . . . 0.497 ' H ' ' HB3' ' A' ' 504' ' ' CYS . . . -130.72 -122.4 2.4 Favored Glycine 0 CA--C 1.523 0.558 0 C-N-CA 119.582 -1.294 . . . . 1.26 115.727 -163.49 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 509' ' ' ARG . . . . . 0.403 ' HA ' ' HD3' ' A' ' 509' ' ' ARG . 28.3 mmt180 -87.08 -175.42 5.33 Favored 'General case' 0 C--O 1.22 -0.476 0 N-CA-C 112.951 0.723 . . . . 5.5800000000000001 112.951 -167.519 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -75.43 17.44 0.27 Allowed 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 115.263 1.579 . . . . 2.8199999999999998 115.263 -161.278 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 511' ' ' ALA . . . . . 0.712 ' HA ' ' HA ' ' A' ' 524' ' ' CYS . . . 71.19 135.06 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 121.786 0.803 . . . . 1.3700000000000001 112.948 174.326 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 62.1 mtt -85.18 -45.93 11.56 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-N 115.211 -0.904 . . . . 2.5800000000000001 109.338 179.206 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 20.9 p -118.04 171.83 7.82 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.481 -0.781 . . . . 1.47 110.678 172.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 514' ' ' GLU . . . . . 0.491 ' HB2' ' HB3' ' A' ' 519' ' ' HIS . 82.9 mt-10 -106.47 149.93 26.58 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-N 115.014 -0.993 . . . . 0.97999999999999998 108.325 174.296 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 515' ' ' CYS . . . . . 0.439 ' O ' ' N ' ' A' ' 519' ' ' HIS . 6.1 t -39.05 114.18 0.37 Allowed 'General case' 0 C--O 1.219 -0.545 0 O-C-N 124.096 0.873 . . . . 0.38 111.628 -174.673 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 45.6 p -63.63 -3.65 2.4 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 112.988 0.736 . . . . 1.1000000000000001 112.988 -169.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -93.52 -9.2 60.38 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.572 -0.823 . . . . 0.44 112.41 178.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 24.5 p -164.62 -38.55 0.03 OUTLIER 'General case' 0 CA--C 1.538 0.494 0 CA-C-O 121.278 0.561 . . . . 0.38 112.027 -175.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 519' ' ' HIS . . . . . 0.491 ' HB3' ' HB2' ' A' ' 514' ' ' GLU . 6.6 m170 67.04 29.28 8.07 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 124.99 1.316 . . . . 0.38 110.039 -172.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -91.71 -9.51 43.54 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 115.927 -0.579 . . . . 2.9300000000000002 111.125 178.447 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 521' ' ' VAL . . . . . . . . . . . . . 28.4 m -141.34 170.0 13.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 108.082 -1.081 . . . . 1.1499999999999999 108.082 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 522' ' ' ASN . . . . . 0.498 ' HB2' ' CB ' ' A' ' 511' ' ' ALA . 27.1 p-10 -148.56 139.55 23.08 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.455 0.645 . . . . 1.75 111.866 -176.251 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 523' ' ' TYR . . . . . 0.692 ' HB3' ' HB2' ' A' ' 528' ' ' CYS . 70.9 m-85 -139.63 142.99 37.01 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.165 -0.925 . . . . 0.89000000000000001 108.612 176.618 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 524' ' ' CYS . . . . . 0.872 ' HB3' ' HB2' ' A' ' 504' ' ' CYS . 6.2 p -59.44 -41.32 89.34 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 111.96 0.355 . . . . 0.37 111.96 -165.553 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 18.5 t -124.44 175.6 7.02 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.911 -0.586 . . . . 1.6799999999999999 110.826 -179.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 526' ' ' THR . . . . . 0.59 ' HA ' HE21 ' A' ' 529' ' ' GLN . 11.0 m -66.16 -42.0 89.59 Favored 'General case' 0 C--O 1.236 0.358 0 O-C-N 122.224 -0.298 . . . . 1.26 111.797 -177.159 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 527' ' ' PHE . . . . . . . . . . . . . 54.3 p90 -62.71 -37.97 88.6 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.864 -0.334 . . . . 0.5 110.843 -175.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 528' ' ' CYS . . . . . 0.692 ' HB2' ' HB3' ' A' ' 523' ' ' TYR . 3.9 m -56.54 -40.86 75.82 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-O 121.192 0.52 . . . . 0.84999999999999998 110.931 178.358 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 529' ' ' GLN . . . . . 0.654 ' O ' ' HB3' ' A' ' 533' ' ' TRP . 47.8 mt-30 -68.0 -49.68 60.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.608 -0.723 . . . . 2.8599999999999999 109.955 -177.855 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 65.1 mtp180 -74.08 -26.8 60.57 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.973 -1.012 . . . . 4.5899999999999999 111.547 -172.185 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 531' ' ' LYS . . . . . 0.472 ' O ' ' HG2' ' A' ' 534' ' ' LYS . 31.9 mmtp -76.35 -51.81 11.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.788 0.328 . . . . 3.6699999999999999 111.062 178.18 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 532' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.6 -33.33 58.42 Favored 'General case' 0 CA--C 1.509 -0.612 0 N-CA-C 112.662 0.616 . . . . 2.6099999999999999 112.662 -170.002 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 533' ' ' TRP . . . . . 0.654 ' HB3' ' O ' ' A' ' 529' ' ' GLN . 0.0 OUTLIER -65.8 6.25 0.37 Allowed 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.856 0.687 . . . . 0.68999999999999995 112.856 -168.427 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 534' ' ' LYS . . . . . 0.472 ' HG2' ' O ' ' A' ' 531' ' ' LYS . 62.0 mmtt -53.53 -21.31 6.18 Favored 'General case' 0 C--N 1.322 -0.606 0 O-C-N 121.866 -0.521 . . . . 2.5800000000000001 111.445 176.212 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 535' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -99.79 -24.9 14.54 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.519 0.676 . . . . 2.04 110.539 172.819 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 536' ' ' HIS . . . . . 0.621 ' HB3' ' HB2' ' A' ' 533' ' ' TRP . 57.8 t60 -78.72 -29.12 45.16 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.241 -0.891 . . . . 0.68000000000000005 111.738 -178.334 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 537' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -54.87 -23.47 18.72 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.067 0.461 . . . . 1.8899999999999999 110.969 177.361 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 538' ' ' HIS . . . . . . . . . . . . . 51.5 m-70 -77.03 -20.96 55.28 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.557 -0.747 . . . . 0.85999999999999999 111.297 -178.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 539' ' ' ILE . . . . . . . . . . . . . 11.8 tt -119.47 -18.85 5.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.128 0.49 . . . . 1.8999999999999999 110.108 -171.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 2.9 t . . . . . 0 N--CA 1.442 -0.836 0 CA-C-O 121.493 0.664 . . . . 0.62 109.502 175.305 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 47.6 p . . . . . 0 N--CA 1.44 -0.928 0 N-CA-C 108.873 -0.788 . . . . 1.8600000000000001 108.873 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 504' ' ' CYS . . . . . 0.579 ' HB2' ' HB3' ' A' ' 524' ' ' CYS . 46.4 t -46.51 131.94 10.84 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 109.476 -0.565 . . . . 0.56999999999999995 109.476 171.087 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 505' ' ' VAL . . . . . 0.423 HG13 ' O ' ' A' ' 505' ' ' VAL . 13.0 t -75.25 21.44 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 122.034 0.921 . . . . 1.3100000000000001 109.62 178.395 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 506' ' ' ASN . . . . . 0.75 HD21 ' HB3' ' A' ' 528' ' ' CYS . 47.7 t30 -145.86 -32.26 0.36 Allowed 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 115.389 -0.823 . . . . 1.9299999999999999 111.776 -178.278 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 507' ' ' CYS . . . . . 0.424 ' HB2' ' H ' ' A' ' 508' ' ' GLY . 0.0 OUTLIER -140.84 -93.36 0.15 Allowed 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 112.293 0.479 . . . . 1.0 112.293 -176.266 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 508' ' ' GLY . . . . . 0.701 ' O ' ' HB3' ' A' ' 524' ' ' CYS . . . -148.42 -166.83 13.15 Favored Glycine 0 C--O 1.214 -1.142 0 CA-C-O 119.352 -0.693 . . . . 1.26 112.118 -173.524 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 509' ' ' ARG . . . . . 0.469 ' C ' ' H ' ' A' ' 511' ' ' ALA . 1.2 tpm_? 65.76 138.92 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 117.333 0.567 . . . . 5.5800000000000001 111.064 175.644 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.95 19.7 0.21 Allowed 'General case' 0 C--N 1.327 -0.402 0 O-C-N 121.349 -0.844 . . . . 2.8199999999999998 111.395 -179.021 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 511' ' ' ALA . . . . . 0.469 ' H ' ' C ' ' A' ' 509' ' ' ARG . . . 76.51 148.03 0.1 Allowed 'General case' 0 C--O 1.233 0.23 0 C-N-CA 123.902 0.881 . . . . 1.3700000000000001 112.042 174.802 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 63.9 mtt -100.39 -57.68 2.06 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.47 -0.786 . . . . 2.5800000000000001 109.016 178.117 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 22.8 m -116.8 172.22 7.38 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.759 -0.655 . . . . 1.47 110.341 171.175 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 514' ' ' GLU . . . . . 0.512 ' HB2' ' CG ' ' A' ' 519' ' ' HIS . 1.2 mt-10 -106.4 162.09 14.0 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.065 -0.97 . . . . 0.97999999999999998 109.534 177.503 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 515' ' ' CYS . . . . . 0.442 ' HB2' HG22 ' A' ' 521' ' ' VAL . 46.6 t -43.5 107.08 0.08 Allowed 'General case' 0 N--CA 1.468 0.436 0 O-C-N 123.842 0.714 . . . . 0.38 109.676 175.112 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 516' ' ' THR . . . . . 0.561 ' HA ' ' NE2' ' A' ' 519' ' ' HIS . 0.2 OUTLIER -65.66 -2.39 3.53 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 113.52 0.933 . . . . 1.1000000000000001 113.52 -164.16 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -94.68 -13.01 54.98 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.367 -0.921 . . . . 0.44 112.597 177.196 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 518' ' ' CYS . . . . . 0.406 ' SG ' ' N ' ' A' ' 519' ' ' HIS . 30.8 p -153.46 -42.74 0.09 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.633 0.73 . . . . 0.38 111.529 -174.384 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 519' ' ' HIS . . . . . 0.561 ' NE2' ' HA ' ' A' ' 516' ' ' THR . 6.6 m170 69.38 25.44 5.52 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 114.463 -1.244 . . . . 0.38 109.826 -177.55 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 520' ' ' LYS . . . . . 0.571 ' HZ2' ' HB3' ' A' ' 520' ' ' LYS . 9.4 mtpm? -87.28 -3.27 59.03 Favored 'General case' 0 N--CA 1.461 0.116 0 CA-C-N 115.412 -0.813 . . . . 2.9300000000000002 110.878 176.511 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 521' ' ' VAL . . . . . 0.442 HG22 ' HB2' ' A' ' 515' ' ' CYS . 13.1 m -146.73 166.05 7.22 Favored 'Isoleucine or valine' 0 C--O 1.237 0.44 0 N-CA-C 107.437 -1.32 . . . . 1.1499999999999999 107.437 179.627 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -151.49 150.97 31.0 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.362 0.601 . . . . 1.75 111.578 -173.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 523' ' ' TYR . . . . . 0.507 ' HB3' ' HB2' ' A' ' 528' ' ' CYS . 71.3 m-85 -139.91 153.67 47.03 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.985 -1.007 . . . . 0.89000000000000001 110.067 -177.095 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 524' ' ' CYS . . . . . 0.701 ' HB3' ' O ' ' A' ' 508' ' ' GLY . 21.3 p -57.73 -51.4 69.71 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 121.243 0.544 . . . . 0.37 110.579 -177.033 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 525' ' ' SER . . . . . 0.574 ' HB3' ' CE1' ' A' ' 527' ' ' PHE . 20.9 t -127.19 -175.05 3.32 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.396 -0.82 . . . . 1.6799999999999999 110.591 179.504 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 9.0 m -69.74 -38.54 76.86 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.847 0.684 . . . . 1.26 112.847 -177.427 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 527' ' ' PHE . . . . . 0.574 ' CE1' ' HB3' ' A' ' 525' ' ' SER . 47.5 p90 -58.14 -42.79 86.64 Favored 'General case' 0 N--CA 1.466 0.325 0 N-CA-C 112.031 0.382 . . . . 0.5 112.031 -170.299 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 528' ' ' CYS . . . . . 0.75 ' HB3' HD21 ' A' ' 506' ' ' ASN . 0.0 OUTLIER -61.57 -35.94 79.22 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.321 0.581 . . . . 0.84999999999999998 111.22 -179.721 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 529' ' ' GLN . . . . . 0.739 ' O ' ' HB3' ' A' ' 533' ' ' TRP . 31.2 tt0 -67.05 -45.53 77.11 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 115.075 -0.966 . . . . 2.8599999999999999 109.066 -176.095 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 530' ' ' ARG . . . . . 0.57 ' O ' ' HE2' ' A' ' 534' ' ' LYS . 89.5 mtt180 -75.3 -41.6 56.59 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.588 -0.733 . . . . 4.5899999999999999 112.212 -179.318 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 531' ' ' LYS . . . . . 0.424 ' O ' ' HG2' ' A' ' 534' ' ' LYS . 65.4 mttm -70.97 -43.49 67.97 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.409 0.522 . . . . 3.6699999999999999 112.409 -174.384 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 532' ' ' ASP . . . . . 0.464 ' HB2' ' O ' ' A' ' 528' ' ' CYS . 0.3 OUTLIER -87.06 -22.96 25.11 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 112.869 0.692 . . . . 2.6099999999999999 112.869 -172.378 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 533' ' ' TRP . . . . . 0.739 ' HB3' ' O ' ' A' ' 529' ' ' GLN . 0.0 OUTLIER -72.89 4.77 3.8 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 112.42 0.526 . . . . 0.68999999999999995 112.42 -173.576 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 534' ' ' LYS . . . . . 0.57 ' HE2' ' O ' ' A' ' 530' ' ' ARG . 70.3 mmtt -54.65 -24.55 22.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 122.164 -0.335 . . . . 2.5800000000000001 111.208 179.627 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 535' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -95.89 -31.08 13.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.468 0.651 . . . . 2.04 110.518 174.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 536' ' ' HIS . . . . . . . . . . . . . 26.9 t60 -77.46 -29.19 52.64 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 115.6 -0.727 . . . . 0.68000000000000005 112.057 -176.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 537' ' ' GLN . . . . . 0.436 ' HB3' ' CE2' ' A' ' 533' ' ' TRP . 3.7 pt20 -50.28 -24.73 3.1 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 123.016 0.526 . . . . 1.8899999999999999 111.592 179.035 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 538' ' ' HIS . . . . . . . . . . . . . 30.6 m-70 -78.11 -18.68 55.37 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.474 -0.784 . . . . 0.85999999999999999 110.943 -177.307 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 539' ' ' ILE . . . . . . . . . . . . . 31.8 pt -119.99 -5.64 10.43 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.313 0 CA-C-O 120.816 0.341 . . . . 1.8999999999999999 110.777 -172.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 5.1 t . . . . . 0 N--CA 1.446 -0.646 0 CA-C-O 121.546 0.688 . . . . 0.62 110.218 -178.865 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 503' ' ' SER . . . . . 0.626 ' HB2' ' O ' ' A' ' 508' ' ' GLY . 5.0 p . . . . . 0 N--CA 1.437 -1.082 0 N-CA-C 108.525 -0.917 . . . . 1.8600000000000001 108.525 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 504' ' ' CYS . . . . . 0.731 ' HB2' ' HB3' ' A' ' 524' ' ' CYS . 38.9 t -61.8 122.1 14.54 Favored 'General case' 0 N--CA 1.44 -0.973 0 N-CA-C 108.286 -1.005 . . . . 0.56999999999999995 108.286 171.697 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 505' ' ' VAL . . . . . 0.419 HG11 ' O ' ' A' ' 505' ' ' VAL . 14.2 t -74.27 20.58 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-O 121.86 0.838 . . . . 1.3100000000000001 109.258 176.666 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 506' ' ' ASN . . . . . 0.574 ' H ' ' C ' ' A' ' 504' ' ' CYS . 22.6 t-20 -143.01 -38.78 0.34 Allowed 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 115.717 -0.674 . . . . 1.9299999999999999 112.323 -173.66 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -136.03 -79.44 0.42 Allowed 'General case' 0 N--CA 1.464 0.245 0 C-N-CA 119.897 -0.721 . . . . 1.0 112.62 -175.84 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 508' ' ' GLY . . . . . 0.626 ' O ' ' HB2' ' A' ' 503' ' ' SER . . . -143.48 -94.49 0.19 Allowed Glycine 0 C--O 1.222 -0.605 0 C-N-CA 120.151 -1.023 . . . . 1.26 114.885 -165.281 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 509' ' ' ARG . . . . . 0.602 ' HB2' ' HB2' ' A' ' 524' ' ' CYS . 55.2 mtp180 -51.03 160.11 0.52 Allowed 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 123.92 0.888 . . . . 5.5800000000000001 113.276 -168.017 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 510' ' ' GLU . . . . . 0.579 ' HA ' ' HA ' ' A' ' 503' ' ' SER . 29.7 mt-10 -73.75 18.26 0.14 Allowed 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.081 -0.963 . . . . 2.8199999999999998 112.576 -173.085 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 511' ' ' ALA . . . . . 0.563 ' HA ' ' HA ' ' A' ' 524' ' ' CYS . . . 73.36 155.01 0.16 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.42 -0.809 . . . . 1.3700000000000001 111.647 177.262 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 84.7 mtp -92.44 -63.41 1.23 Allowed 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.085 -1.08 . . . . 2.5800000000000001 108.085 176.111 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 18.9 p -117.24 171.94 7.63 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 114.906 -1.043 . . . . 1.47 110.054 172.304 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 514' ' ' GLU . . . . . 0.559 ' HB3' ' HA ' ' A' ' 519' ' ' HIS . 49.6 mt-10 -88.89 160.99 16.92 Favored 'General case' 0 C--N 1.317 -0.816 0 N-CA-C 109.202 -0.666 . . . . 0.97999999999999998 109.202 173.059 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 515' ' ' CYS . . . . . 0.635 ' HA ' ' OE1' ' A' ' 529' ' ' GLN . 44.6 t -40.32 107.83 0.08 Allowed 'General case' 0 C--O 1.221 -0.419 0 O-C-N 124.371 1.044 . . . . 0.38 110.765 179.173 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 39.3 p -58.89 -15.89 14.88 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 113.189 0.811 . . . . 1.1000000000000001 113.189 -167.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -82.82 -10.91 82.43 Favored Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.481 -0.866 . . . . 0.44 113.226 179.441 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 518' ' ' CYS . . . . . 0.417 ' SG ' ' N ' ' A' ' 519' ' ' HIS . 28.4 p -160.87 -41.14 0.05 OUTLIER 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 117.46 0.63 . . . . 0.38 112.374 -173.599 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 519' ' ' HIS . . . . . 0.559 ' HA ' ' HB3' ' A' ' 514' ' ' GLU . 8.3 m170 71.43 31.35 2.33 Favored 'General case' 0 C--O 1.225 -0.234 0 C-N-CA 124.755 1.222 . . . . 0.38 110.202 -174.618 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -89.28 -9.23 51.36 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.492 -0.776 . . . . 2.9300000000000002 110.977 175.454 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 521' ' ' VAL . . . . . . . . . . . . . 29.3 m -147.59 178.52 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 N-CA-C 108.152 -1.055 . . . . 1.1499999999999999 108.152 -178.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 23.8 p-10 -155.72 148.61 24.29 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.251 0.548 . . . . 1.75 111.429 -177.494 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 523' ' ' TYR . . . . . 0.507 ' HB3' ' HB2' ' A' ' 528' ' ' CYS . 88.0 m-85 -138.48 145.48 40.88 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.155 -0.929 . . . . 0.89000000000000001 109.79 -179.277 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 524' ' ' CYS . . . . . 0.731 ' HB3' ' HB2' ' A' ' 504' ' ' CYS . 22.1 p -50.65 -47.34 58.59 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 121.298 0.571 . . . . 0.37 111.143 -172.717 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 525' ' ' SER . . . . . 0.569 ' HB2' ' CE2' ' A' ' 527' ' ' PHE . 49.2 m -126.6 -178.84 4.51 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.132 -0.94 . . . . 1.6799999999999999 111.094 175.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 32.1 m -68.06 -38.11 82.08 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.69 0.626 . . . . 1.26 112.69 -178.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 527' ' ' PHE . . . . . 0.569 ' CE2' ' HB2' ' A' ' 525' ' ' SER . 47.0 p90 -58.39 -39.77 80.55 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 112.345 0.498 . . . . 0.5 112.345 -170.718 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 528' ' ' CYS . . . . . 0.507 ' HB2' ' HB3' ' A' ' 523' ' ' TYR . 0.0 OUTLIER -63.95 -31.98 73.36 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.678 0.275 . . . . 0.84999999999999998 111.301 -178.026 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 529' ' ' GLN . . . . . 0.734 ' O ' ' HB3' ' A' ' 533' ' ' TRP . 15.6 tt0 -67.79 -55.35 13.34 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.604 0.716 . . . . 2.8599999999999999 109.506 -174.017 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 530' ' ' ARG . . . . . 0.618 ' O ' ' HE3' ' A' ' 534' ' ' LYS . 40.0 ptt180 -74.61 -26.23 59.77 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 114.792 -1.094 . . . . 4.5899999999999999 111.628 -174.006 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 48.0 tptt -78.35 -41.68 32.76 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.297 0.57 . . . . 3.6699999999999999 111.124 -178.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 532' ' ' ASP . . . . . 0.428 ' HB2' ' O ' ' A' ' 528' ' ' CYS . 0.7 OUTLIER -83.34 -30.76 27.21 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.602 -0.727 . . . . 2.6099999999999999 112.42 -173.274 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 533' ' ' TRP . . . . . 0.734 ' HB3' ' O ' ' A' ' 529' ' ' GLN . 0.0 OUTLIER -67.16 4.96 0.78 Allowed 'General case' 0 C--O 1.214 -0.763 0 N-CA-C 113.884 1.068 . . . . 0.68999999999999995 113.884 -165.273 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 534' ' ' LYS . . . . . 0.631 ' N ' ' HD2' ' A' ' 534' ' ' LYS . 0.0 OUTLIER -57.74 -20.42 34.6 Favored 'General case' 0 C--N 1.322 -0.59 0 O-C-N 121.162 -0.961 . . . . 2.5800000000000001 111.444 176.22 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 535' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -97.03 -23.57 16.2 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 121.775 0.798 . . . . 2.04 110.37 173.256 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 536' ' ' HIS . . . . . 0.448 ' HB3' ' HB2' ' A' ' 533' ' ' TRP . 27.0 t60 -86.43 -31.5 21.37 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 115.014 -0.993 . . . . 0.68000000000000005 112.964 -177.76 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 537' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -45.57 -24.54 0.35 Allowed 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.844 0.858 . . . . 1.8899999999999999 112.057 179.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 538' ' ' HIS . . . . . . . . . . . . . 18.3 m-70 -78.46 -21.8 48.52 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.678 -0.692 . . . . 0.85999999999999999 110.969 -178.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 539' ' ' ILE . . . . . . . . . . . . . 33.2 pt -120.59 10.3 6.31 Favored 'Isoleucine or valine' 0 C--O 1.236 0.362 0 CA-C-O 120.949 0.405 . . . . 1.8999999999999999 111.062 -173.316 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 4.3 t . . . . . 0 N--CA 1.446 -0.653 0 N-CA-C 109.395 -0.594 . . . . 0.62 109.395 179.162 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 503' ' ' SER . . . . . 0.524 ' HB2' ' O ' ' A' ' 508' ' ' GLY . 1.0 OUTLIER . . . . . 0 N--CA 1.442 -0.829 0 N-CA-C 108.833 -0.803 . . . . 1.8600000000000001 108.833 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 504' ' ' CYS . . . . . 0.83 ' HB2' ' HB3' ' A' ' 524' ' ' CYS . 45.8 t -87.69 146.9 25.48 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 108.355 -0.979 . . . . 0.56999999999999995 108.355 166.27 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 505' ' ' VAL . . . . . 0.477 HG13 ' O ' ' A' ' 505' ' ' VAL . 43.1 t -85.78 9.84 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-O 121.603 0.716 . . . . 1.3100000000000001 109.557 178.342 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 506' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -142.45 -31.45 0.52 Allowed 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 112.81 0.67 . . . . 1.9299999999999999 112.81 176.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 507' ' ' CYS . . . . . 0.461 ' HB2' ' H ' ' A' ' 508' ' ' GLY . 0.0 OUTLIER -139.26 -99.77 0.16 Allowed 'General case' 0 N--CA 1.47 0.569 0 O-C-N 121.051 -1.031 . . . . 1.0 113.751 -175.307 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 508' ' ' GLY . . . . . 0.524 ' O ' ' HB2' ' A' ' 503' ' ' SER . . . -115.57 -99.77 2.23 Favored Glycine 0 C--O 1.218 -0.89 0 C-N-CA 120.751 -0.737 . . . . 1.26 114.914 -163.307 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 509' ' ' ARG . . . . . 0.916 ' HB2' ' HB2' ' A' ' 524' ' ' CYS . 0.0 OUTLIER -36.38 151.65 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.964 1.306 . . . . 5.5800000000000001 113.641 -173.897 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -68.71 21.37 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 114.759 -1.11 . . . . 2.8199999999999998 112.935 -175.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 511' ' ' ALA . . . . . 0.513 ' H ' ' C ' ' A' ' 509' ' ' ARG . . . 70.41 120.65 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.215 0 O-C-N 123.904 0.753 . . . . 1.3700000000000001 111.058 -175.073 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 91.3 mtp -86.28 -60.73 1.92 Allowed 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.801 -0.815 . . . . 2.5800000000000001 108.801 -178.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 5.3 p -117.63 155.14 30.39 Favored 'General case' 0 N--CA 1.443 -0.821 0 CA-C-N 115.527 -0.761 . . . . 1.47 110.757 172.414 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 514' ' ' GLU . . . . . 0.571 ' HB2' ' HB3' ' A' ' 519' ' ' HIS . 34.5 mt-10 -90.9 152.72 20.62 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 115.22 -0.9 . . . . 0.97999999999999998 109.622 176.212 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 41.7 t -38.84 106.77 0.06 Allowed 'General case' 0 N--CA 1.469 0.52 0 O-C-N 124.347 1.029 . . . . 0.38 112.009 -176.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 19.1 p -47.51 -31.12 3.99 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 114.522 1.304 . . . . 1.1000000000000001 114.522 -168.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -77.66 -6.64 87.03 Favored Glycine 0 CA--C 1.521 0.462 0 C-N-CA 120.504 -0.855 . . . . 0.44 113.418 -177.035 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 518' ' ' CYS . . . . . 0.49 ' SG ' ' N ' ' A' ' 519' ' ' HIS . 30.7 p -158.44 -48.32 0.06 Allowed 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 117.485 0.643 . . . . 0.38 111.668 -175.23 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 519' ' ' HIS . . . . . 0.571 ' HB3' ' HB2' ' A' ' 514' ' ' GLU . 5.6 m170 72.1 33.82 1.53 Allowed 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 125.131 1.372 . . . . 0.38 109.607 -173.287 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 57.6 mttp -98.74 -0.76 42.08 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.494 -0.775 . . . . 2.9300000000000002 111.712 176.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 521' ' ' VAL . . . . . . . . . . . . . 26.8 m -139.08 165.37 23.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 107.35 -1.352 . . . . 1.1499999999999999 107.35 173.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 522' ' ' ASN . . . . . 0.495 ' HB3' ' HG2' ' A' ' 514' ' ' GLU . 9.5 p30 -151.34 119.81 6.45 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.873 0.844 . . . . 1.75 112.134 -175.059 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 523' ' ' TYR . . . . . 0.594 ' HB2' ' HB2' ' A' ' 529' ' ' GLN . 10.3 m-85 -123.38 156.29 35.71 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 114.978 -1.01 . . . . 0.89000000000000001 109.115 177.557 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 524' ' ' CYS . . . . . 0.916 ' HB2' ' HB2' ' A' ' 509' ' ' ARG . 22.8 p -51.6 -49.03 62.95 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 121.144 0.497 . . . . 0.37 111.26 -174.516 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 525' ' ' SER . . . . . 0.41 ' HB2' ' CE2' ' A' ' 527' ' ' PHE . 5.4 m -126.25 -178.01 4.17 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.348 -0.842 . . . . 1.6799999999999999 111.227 -177.814 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 22.8 m -70.54 -39.77 73.83 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.523 -0.308 . . . . 1.26 111.646 179.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 527' ' ' PHE . . . . . 0.41 ' CE2' ' HB2' ' A' ' 525' ' ' SER . 26.8 p90 -58.09 -49.01 78.43 Favored 'General case' 0 N--CA 1.463 0.196 0 N-CA-C 112.739 0.644 . . . . 0.5 112.739 -170.522 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 528' ' ' CYS . . . . . 0.422 ' SG ' ' HB3' ' A' ' 523' ' ' TYR . 0.8 OUTLIER -70.39 -35.18 73.32 Favored 'General case' 0 N--CA 1.438 -1.059 0 CA-C-O 121.326 0.584 . . . . 0.84999999999999998 111.203 -175.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 529' ' ' GLN . . . . . 0.666 ' O ' ' HB3' ' A' ' 533' ' ' TRP . 4.7 tt0 -67.73 -37.51 82.3 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.318 -0.856 . . . . 2.8599999999999999 109.372 -177.715 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 530' ' ' ARG . . . . . 0.465 ' HA ' ' HD3' ' A' ' 530' ' ' ARG . 19.9 mmt-85 -78.62 -34.16 46.84 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.206 -0.906 . . . . 4.5899999999999999 112.863 176.478 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 531' ' ' LYS . . . . . 0.435 ' O ' ' HG2' ' A' ' 534' ' ' LYS . 43.6 mmtm -71.7 -45.57 61.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 122.002 -0.436 . . . . 3.6699999999999999 111.415 -178.519 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 532' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -82.06 -8.96 59.69 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.03 -0.532 . . . . 2.6099999999999999 112.178 -175.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 533' ' ' TRP . . . . . 0.666 ' HB3' ' O ' ' A' ' 529' ' ' GLN . 0.0 OUTLIER -74.27 4.64 5.45 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.418 -0.356 . . . . 0.68999999999999995 111.696 -176.435 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 534' ' ' LYS . . . . . 0.7 ' HE2' ' HA ' ' A' ' 534' ' ' LYS . 9.7 mmpt? -52.12 -29.4 21.68 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 120.837 0.351 . . . . 2.5800000000000001 111.523 -179.172 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 535' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -93.65 -22.72 18.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.699 0.762 . . . . 2.04 110.388 175.279 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 536' ' ' HIS . . . . . . . . . . . . . 59.8 t60 -87.0 -25.92 24.03 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 115.483 -0.781 . . . . 0.68000000000000005 112.193 -173.535 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 537' ' ' GLN . . . . . 0.603 ' HB3' ' CE2' ' A' ' 533' ' ' TRP . 3.9 pt20 -54.53 -23.24 15.67 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 121.548 0.69 . . . . 1.8899999999999999 110.737 178.656 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 538' ' ' HIS . . . . . . . . . . . . . 26.9 m-70 -76.49 -16.48 59.64 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.794 -1.094 . . . . 0.85999999999999999 111.505 -178.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 539' ' ' ILE . . . . . . . . . . . . . 15.4 tt -121.35 -10.53 9.34 Favored 'Isoleucine or valine' 0 C--O 1.233 0.197 0 CA-C-O 121.29 0.567 . . . . 1.8999999999999999 110.852 -174.002 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 N--CA 1.446 -0.655 0 C-N-CA 119.871 -0.732 . . . . 0.62 109.817 179.328 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 503' ' ' SER . . . . . 0.733 ' HB3' ' HA ' ' A' ' 510' ' ' GLU . 33.6 m . . . . . 0 N--CA 1.449 -0.509 0 N-CA-C 108.795 -0.817 . . . . 1.8600000000000001 108.795 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 504' ' ' CYS . . . . . 0.734 ' HB2' ' HB3' ' A' ' 524' ' ' CYS . 42.8 t -80.96 121.05 25.54 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 107.914 -1.143 . . . . 0.56999999999999995 107.914 164.627 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 505' ' ' VAL . . . . . 0.751 ' HB ' ' CE1' ' A' ' 523' ' ' TYR . 43.8 t -68.13 -4.24 3.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 121.482 0.658 . . . . 1.3100000000000001 109.803 177.564 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 506' ' ' ASN . . . . . 0.474 ' HB3' ' HB3' ' A' ' 528' ' ' CYS . 6.8 t30 -113.31 -44.19 3.27 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 115.95 -0.568 . . . . 1.9299999999999999 111.886 -179.169 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -133.48 -82.36 0.47 Allowed 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 113.175 0.805 . . . . 1.0 113.175 -173.095 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 508' ' ' GLY . . . . . 0.462 ' N ' ' HB3' ' A' ' 504' ' ' CYS . . . -140.65 -102.03 0.48 Allowed Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.59 -0.814 . . . . 1.26 114.91 -165.25 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 509' ' ' ARG . . . . . 0.78 ' HB3' ' HB2' ' A' ' 524' ' ' CYS . 19.8 tpp180 -35.55 142.67 0.06 Allowed 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.754 1.222 . . . . 5.5800000000000001 112.759 -172.759 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 510' ' ' GLU . . . . . 0.733 ' HA ' ' HB3' ' A' ' 503' ' ' SER . 1.6 pm0 -68.84 20.13 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 113.702 1.001 . . . . 2.8199999999999998 113.702 -170.356 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 511' ' ' ALA . . . . . 0.559 ' CB ' ' HB2' ' A' ' 522' ' ' ASN . . . 73.85 137.64 0.06 Allowed 'General case' 0 CA--C 1.518 -0.279 0 C-N-CA 123.723 0.809 . . . . 1.3700000000000001 111.72 177.804 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 64.6 mtt -89.26 -49.09 6.93 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.468 -0.938 . . . . 2.5800000000000001 108.468 176.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 73.6 m -118.37 160.46 21.64 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.569 -0.741 . . . . 1.47 110.084 168.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 514' ' ' GLU . . . . . 0.431 ' HB3' ' HA ' ' A' ' 519' ' ' HIS . 40.1 mt-10 -88.09 160.31 17.86 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.486 -0.931 . . . . 0.97999999999999998 108.486 170.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 38.4 t -40.69 112.53 0.3 Allowed 'General case' 0 N--CA 1.47 0.558 0 O-C-N 123.903 0.752 . . . . 0.38 111.155 -176.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 24.9 p -64.12 0.13 1.02 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 114.008 1.114 . . . . 1.1000000000000001 114.008 -166.353 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -103.03 -12.27 32.18 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.16 -1.019 . . . . 0.44 112.714 177.25 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 518' ' ' CYS . . . . . 0.985 ' HB2' ' HD3' ' A' ' 520' ' ' LYS . 31.2 p -152.96 -39.65 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.148 0.499 . . . . 0.38 111.727 -174.447 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 519' ' ' HIS . . . . . 0.431 ' HA ' ' HB3' ' A' ' 514' ' ' GLU . 6.1 m170 62.03 36.49 15.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.237 -0.892 . . . . 0.38 109.408 -172.725 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 520' ' ' LYS . . . . . 0.985 ' HD3' ' HB2' ' A' ' 518' ' ' CYS . 4.9 mptp? -91.07 -12.66 34.99 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.683 -0.689 . . . . 2.9300000000000002 110.534 174.076 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 521' ' ' VAL . . . . . . . . . . . . . 16.1 m -146.92 163.64 7.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 N-CA-C 106.948 -1.501 . . . . 1.1499999999999999 106.948 -177.35 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 522' ' ' ASN . . . . . 0.559 ' HB2' ' CB ' ' A' ' 511' ' ' ALA . 22.0 p-10 -140.08 147.15 39.87 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.324 0.583 . . . . 1.75 111.498 -175.58 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 523' ' ' TYR . . . . . 0.833 ' HB3' ' HB2' ' A' ' 528' ' ' CYS . 97.0 m-85 -140.81 141.99 34.69 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 115.366 -0.834 . . . . 0.89000000000000001 110.744 -176.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 524' ' ' CYS . . . . . 0.78 ' HB2' ' HB3' ' A' ' 509' ' ' ARG . 14.8 p -52.03 -45.55 64.69 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-O 121.102 0.477 . . . . 0.37 110.758 -173.47 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 525' ' ' SER . . . . . 0.402 ' HB2' ' CE2' ' A' ' 527' ' ' PHE . 6.2 m -124.96 -179.28 4.48 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.265 -0.88 . . . . 1.6799999999999999 111.314 -177.222 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 91.1 m -72.38 -41.84 65.9 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.382 0.512 . . . . 1.26 112.382 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 527' ' ' PHE . . . . . 0.402 ' CE2' ' HB2' ' A' ' 525' ' ' SER . 48.8 p90 -58.21 -36.56 73.31 Favored 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 111.712 0.264 . . . . 0.5 111.712 -174.68 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 528' ' ' CYS . . . . . 0.833 ' HB2' ' HB3' ' A' ' 523' ' ' TYR . 0.0 OUTLIER -60.68 -41.35 94.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.962 0.411 . . . . 0.84999999999999998 110.75 179.492 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 529' ' ' GLN . . . . . 0.457 ' O ' ' HB3' ' A' ' 533' ' ' TRP . 36.0 tt0 -63.59 -41.48 98.35 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.305 -0.861 . . . . 2.8599999999999999 109.246 -177.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 19.2 mmm180 -74.32 -45.62 46.2 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.172 -0.922 . . . . 4.5899999999999999 111.731 -176.281 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? -56.44 -51.49 68.21 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 121.101 0.476 . . . . 3.6699999999999999 111.202 -178.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 532' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -64.61 -34.3 77.95 Favored 'General case' 0 CA--C 1.506 -0.747 0 CA-C-N 115.485 -0.78 . . . . 2.6099999999999999 111.504 -179.289 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 533' ' ' TRP . . . . . 1.01 ' HA ' ' HB3' ' A' ' 536' ' ' HIS . 0.0 OUTLIER -68.56 -9.23 48.09 Favored 'General case' 0 N--CA 1.434 -1.25 0 CA-C-N 115.292 -0.867 . . . . 0.68999999999999995 111.823 -166.42 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 28.4 mmtp -60.6 -26.28 66.86 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.572 0.701 . . . . 2.5800000000000001 109.126 175.662 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 535' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -99.81 -42.0 7.01 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 114.821 -1.081 . . . . 2.04 109.485 171.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 536' ' ' HIS . . . . . 1.01 ' HB3' ' HA ' ' A' ' 533' ' ' TRP . 50.0 t60 -62.7 -28.98 70.32 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 115.073 -0.967 . . . . 0.68000000000000005 113.073 -177.585 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 537' ' ' GLN . . . . . 0.409 ' HB3' ' CE2' ' A' ' 533' ' ' TRP . 3.7 pt20 -48.19 -28.57 3.07 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.086 0.555 . . . . 1.8899999999999999 111.995 178.762 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 538' ' ' HIS . . . . . . . . . . . . . 70.4 m-70 -73.81 -16.59 61.15 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.123 -0.49 . . . . 0.85999999999999999 111.237 -178.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 539' ' ' ILE . . . . . . . . . . . . . 31.1 pt -120.42 -5.58 10.11 Favored 'Isoleucine or valine' 0 C--O 1.232 0.159 0 C-N-CA 120.966 -0.293 . . . . 1.8999999999999999 111.372 -176.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 2.0 t . . . . . 0 N--CA 1.451 -0.389 0 N-CA-C 109.081 -0.711 . . . . 0.62 109.081 177.263 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 503' ' ' SER . . . . . 0.47 ' HB2' ' O ' ' A' ' 509' ' ' ARG . 22.8 p . . . . . 0 N--CA 1.44 -0.94 0 N-CA-C 109.842 -0.429 . . . . 1.8600000000000001 109.842 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 504' ' ' CYS . . . . . 0.764 ' HB2' ' HB3' ' A' ' 524' ' ' CYS . 35.9 t -52.74 132.75 36.77 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 109.016 -0.735 . . . . 0.56999999999999995 109.016 174.121 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 505' ' ' VAL . . . . . 0.428 HG11 ' O ' ' A' ' 505' ' ' VAL . 14.1 t -77.62 20.26 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-O 121.825 0.821 . . . . 1.3100000000000001 109.374 178.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 506' ' ' ASN . . . . . 0.821 HD21 ' HB3' ' A' ' 528' ' ' CYS . 43.5 t30 -148.76 -37.73 0.17 Allowed 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 115.595 -0.729 . . . . 1.9299999999999999 112.669 -176.213 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 507' ' ' CYS . . . . . 0.445 ' HB2' ' H ' ' A' ' 508' ' ' GLY . 0.0 OUTLIER -134.95 -96.23 0.26 Allowed 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 113.772 1.027 . . . . 1.0 113.772 -175.474 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 508' ' ' GLY . . . . . 0.445 ' H ' ' HB2' ' A' ' 507' ' ' CYS . . . -124.42 -86.71 0.71 Allowed Glycine 0 C--N 1.335 0.478 0 N-CA-C 115.488 0.955 . . . . 1.26 115.488 -162.329 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 509' ' ' ARG . . . . . 0.722 ' HB2' ' HB2' ' A' ' 524' ' ' CYS . 58.1 mtt85 -47.38 156.16 0.29 Allowed 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 123.837 0.855 . . . . 5.5800000000000001 112.492 -171.623 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 510' ' ' GLU . . . . . 0.476 ' CD ' ' H ' ' A' ' 510' ' ' GLU . 1.3 pm0 -77.32 19.95 0.31 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.294 -0.867 . . . . 2.8199999999999998 111.209 -179.247 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 511' ' ' ALA . . . . . 0.584 ' HB2' HD21 ' A' ' 522' ' ' ASN . . . 77.35 146.19 0.09 Allowed 'General case' 0 CA--C 1.52 -0.188 0 C-N-CA 123.963 0.905 . . . . 1.3700000000000001 112.115 174.692 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 46.9 mtt -92.36 -63.7 1.2 Allowed 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.127 -1.064 . . . . 2.5800000000000001 108.127 176.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 6.6 p -117.84 172.54 7.31 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.181 -0.918 . . . . 1.47 110.428 172.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 514' ' ' GLU . . . . . 0.438 ' HB3' ' HA ' ' A' ' 519' ' ' HIS . 29.9 mt-10 -88.72 154.99 19.85 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 108.377 -0.971 . . . . 0.97999999999999998 108.377 171.352 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 16.7 t -41.45 112.34 0.3 Allowed 'General case' 0 N--CA 1.47 0.557 0 O-C-N 123.517 0.511 . . . . 0.38 110.423 178.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 73.9 p -65.42 -4.36 5.58 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 112.671 0.619 . . . . 1.1000000000000001 112.671 -169.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -89.66 -14.65 59.42 Favored Glycine 0 N--CA 1.443 -0.868 0 C-N-CA 120.528 -0.844 . . . . 0.44 112.396 177.528 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 518' ' ' CYS . . . . . 0.518 ' HB2' ' HG3' ' A' ' 520' ' ' LYS . 30.1 p -156.95 -37.15 0.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.317 0.58 . . . . 0.38 112.16 -175.621 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 519' ' ' HIS . . . . . 0.438 ' HA ' ' HB3' ' A' ' 514' ' ' GLU . 10.4 m170 67.96 25.0 7.78 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 114.552 -1.204 . . . . 0.38 110.148 -173.489 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 520' ' ' LYS . . . . . 0.518 ' HG3' ' HB2' ' A' ' 518' ' ' CYS . 7.4 mtpm? -84.99 -10.37 57.1 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 115.861 -0.608 . . . . 2.9300000000000002 110.781 178.733 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 521' ' ' VAL . . . . . . . . . . . . . 28.4 m -148.43 173.8 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 107.604 -1.258 . . . . 1.1499999999999999 107.604 -178.053 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 522' ' ' ASN . . . . . 0.584 HD21 ' HB2' ' A' ' 511' ' ' ALA . 3.6 p-10 -146.34 150.12 35.1 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 120.66 -0.416 . . . . 1.75 111.134 -177.069 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 523' ' ' TYR . . . . . 0.495 ' CD2' ' HB2' ' A' ' 528' ' ' CYS . 93.7 m-85 -136.23 148.51 48.09 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.864 -0.607 . . . . 0.89000000000000001 110.181 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 524' ' ' CYS . . . . . 0.764 ' HB3' ' HB2' ' A' ' 504' ' ' CYS . 20.3 p -57.09 -47.41 81.09 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.151 0.501 . . . . 0.37 111.062 -176.189 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 525' ' ' SER . . . . . 0.404 ' HB3' ' CE2' ' A' ' 527' ' ' PHE . 23.1 t -126.5 -177.93 4.17 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.524 -0.762 . . . . 1.6799999999999999 110.495 179.463 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 21.9 m -70.59 -37.67 73.93 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.241 0.46 . . . . 1.26 112.241 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 527' ' ' PHE . . . . . 0.404 ' CE2' ' HB3' ' A' ' 525' ' ' SER . 32.1 p90 -58.59 -42.54 88.31 Favored 'General case' 0 N--CA 1.462 0.153 0 N-CA-C 112.451 0.537 . . . . 0.5 112.451 -171.379 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 528' ' ' CYS . . . . . 0.821 ' HB3' HD21 ' A' ' 506' ' ' ASN . 0.0 OUTLIER -65.99 -35.06 79.54 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-O 121.133 0.492 . . . . 0.84999999999999998 110.847 -179.516 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 529' ' ' GLN . . . . . 0.594 ' O ' ' HB3' ' A' ' 533' ' ' TRP . 8.5 tt0 -63.37 -43.24 98.21 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 115.487 -0.779 . . . . 2.8599999999999999 109.495 -175.763 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 530' ' ' ARG . . . . . 0.496 ' HA ' ' HD3' ' A' ' 530' ' ' ARG . 11.4 mmt180 -77.15 -46.39 23.57 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.476 -0.784 . . . . 4.5899999999999999 112.323 178.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 48.9 mtpt -56.99 -57.39 12.76 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 121.349 0.595 . . . . 3.6699999999999999 111.374 -178.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 532' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.57 -24.12 67.01 Favored 'General case' 0 CA--C 1.508 -0.642 0 CA-C-N 115.389 -0.823 . . . . 2.6099999999999999 112.23 -176.159 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 533' ' ' TRP . . . . . 1.049 ' HA ' ' HB3' ' A' ' 536' ' ' HIS . 0.0 OUTLIER -73.55 -6.27 45.47 Favored 'General case' 0 N--CA 1.436 -1.133 0 CA-C-N 115.944 -0.571 . . . . 0.68999999999999995 110.761 -175.864 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 534' ' ' LYS . . . . . 0.572 ' HE2' ' HA ' ' A' ' 534' ' ' LYS . 11.0 mmmm -67.56 -16.13 64.02 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 119.131 -1.028 . . . . 2.5800000000000001 109.513 175.103 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 535' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -104.78 -40.46 5.96 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 114.747 -1.115 . . . . 2.04 109.744 167.145 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 536' ' ' HIS . . . . . 1.049 ' HB3' ' HA ' ' A' ' 533' ' ' TRP . 28.5 t60 -62.73 -26.38 68.66 Favored 'General case' 0 CA--C 1.55 0.954 0 N-CA-C 113.233 0.827 . . . . 0.68000000000000005 113.233 -179.441 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 537' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -45.65 -29.11 1.14 Allowed 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 122.946 0.498 . . . . 1.8899999999999999 111.596 176.32 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 538' ' ' HIS . . . . . . . . . . . . . 20.4 m-70 -70.23 -24.99 63.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.894 -0.594 . . . . 0.85999999999999999 111.668 -179.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 539' ' ' ILE . . . . . . . . . . . . . 28.4 pt -119.79 4.54 6.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 120.78 0.324 . . . . 1.8999999999999999 111.081 -170.192 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 3.4 t . . . . . 0 N--CA 1.448 -0.56 0 N-CA-C 109.5 -0.556 . . . . 0.62 109.5 179.104 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 503' ' ' SER . . . . . 0.652 ' HB2' ' O ' ' A' ' 509' ' ' ARG . 32.2 p . . . . . 0 N--CA 1.444 -0.734 0 CA-C-O 120.82 0.343 . . . . 1.8600000000000001 110.078 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 504' ' ' CYS . . . . . 0.91 ' HB2' ' HB3' ' A' ' 524' ' ' CYS . 45.4 t -92.91 132.17 37.27 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 108.524 -0.917 . . . . 0.56999999999999995 108.524 171.379 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 505' ' ' VAL . . . . . 0.553 ' HB ' ' CE1' ' A' ' 523' ' ' TYR . 2.7 t -80.86 12.18 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 121.324 0.583 . . . . 1.3100000000000001 109.71 178.193 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 506' ' ' ASN . . . . . 0.474 ' HB3' ' HB3' ' A' ' 528' ' ' CYS . 11.8 t-20 -131.89 -39.12 1.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 1.9299999999999999 111.214 -178.438 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 507' ' ' CYS . . . . . 0.515 ' HB2' ' H ' ' A' ' 508' ' ' GLY . 0.6 OUTLIER -122.14 -96.33 0.47 Allowed 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.456 -0.572 . . . . 1.0 109.456 176.354 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 508' ' ' GLY . . . . . 0.515 ' H ' ' HB2' ' A' ' 507' ' ' CYS . . . 162.74 52.58 0.02 OUTLIER Glycine 0 N--CA 1.443 -0.862 0 C-N-CA 120.19 -1.005 . . . . 1.26 114.567 171.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 509' ' ' ARG . . . . . 1.098 ' HB3' ' HB2' ' A' ' 524' ' ' CYS . 1.6 tpt180 -104.77 159.86 15.44 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 106.244 -1.762 . . . . 5.5800000000000001 106.244 161.499 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -64.2 10.87 0.05 Allowed 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 115.593 1.701 . . . . 2.8199999999999998 115.593 -162.137 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 511' ' ' ALA . . . . . 0.558 ' HA ' ' HA ' ' A' ' 524' ' ' CYS . . . 67.83 142.28 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 121.619 0.724 . . . . 1.3700000000000001 111.877 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 81.2 mtp -114.43 -66.77 1.05 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.058 -0.519 . . . . 2.5800000000000001 109.843 179.014 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 7.2 p -117.52 172.52 7.28 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.668 0.747 . . . . 1.47 111.177 175.045 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 514' ' ' GLU . . . . . 0.502 ' HB3' ' HA ' ' A' ' 519' ' ' HIS . 29.2 mt-10 -98.22 154.01 18.08 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 114.65 -1.159 . . . . 0.97999999999999998 110.024 179.257 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 12.0 t -41.73 112.9 0.36 Allowed 'General case' 0 N--CA 1.468 0.439 0 O-C-N 123.829 0.706 . . . . 0.38 111.13 178.063 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 18.6 p -66.53 5.35 0.6 Allowed 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 113.167 0.803 . . . . 1.1000000000000001 113.167 -172.142 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -97.58 -15.34 37.76 Favored Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 120.56 -0.829 . . . . 0.44 112.249 175.374 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 518' ' ' CYS . . . . . 0.4 ' HB2' ' HG3' ' A' ' 520' ' ' LYS . 30.2 p -157.03 -34.73 0.08 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.52 0.676 . . . . 0.38 112.07 -174.471 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 519' ' ' HIS . . . . . 0.502 ' HA ' ' HB3' ' A' ' 514' ' ' GLU . 9.4 m170 60.9 32.06 20.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 114.628 -1.169 . . . . 0.38 109.926 -171.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 520' ' ' LYS . . . . . 0.4 ' HG3' ' HB2' ' A' ' 518' ' ' CYS . 61.9 mtpt -90.07 -10.22 45.56 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.714 -0.676 . . . . 2.9300000000000002 110.366 177.333 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 521' ' ' VAL . . . . . . . . . . . . . 27.0 m -145.57 167.18 9.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 107.117 -1.438 . . . . 1.1499999999999999 107.117 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 522' ' ' ASN . . . . . 0.463 ' O ' HG22 ' A' ' 505' ' ' VAL . 8.5 p30 -144.76 150.83 37.9 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 120.88 0.371 . . . . 1.75 110.661 -177.493 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 523' ' ' TYR . . . . . 0.648 ' HB3' ' HB2' ' A' ' 528' ' ' CYS . 87.5 m-85 -137.54 157.99 45.34 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.961 -0.563 . . . . 0.89000000000000001 110.651 -176.473 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 524' ' ' CYS . . . . . 1.098 ' HB2' ' HB3' ' A' ' 509' ' ' ARG . 13.0 p -64.39 -42.18 96.27 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.427 0.632 . . . . 0.37 110.597 -175.32 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 17.3 m -126.77 177.33 6.64 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.14 -0.937 . . . . 1.6799999999999999 111.234 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 13.4 m -71.03 -41.51 70.74 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.276 0.473 . . . . 1.26 112.276 177.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 527' ' ' PHE . . . . . . . . . . . . . 45.2 p90 -58.9 -33.86 71.02 Favored 'General case' 0 C--N 1.333 -0.113 0 C-N-CA 120.993 -0.283 . . . . 0.5 111.416 -175.164 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 528' ' ' CYS . . . . . 0.648 ' HB2' ' HB3' ' A' ' 523' ' ' TYR . 0.5 OUTLIER -60.69 -41.4 95.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.804 0.335 . . . . 0.84999999999999998 110.936 177.939 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 529' ' ' GLN . . . . . 0.541 ' O ' ' HB3' ' A' ' 533' ' ' TRP . 37.3 tt0 -60.77 -43.23 98.31 Favored 'General case' 0 C--O 1.218 -0.561 0 N-CA-C 108.819 -0.808 . . . . 2.8599999999999999 108.819 -177.248 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 66.9 mtp180 -74.69 -46.82 35.27 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.024 -0.989 . . . . 4.5899999999999999 111.679 -178.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -59.48 -55.24 37.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.836 -0.62 . . . . 3.6699999999999999 111.182 -177.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 532' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -63.17 -33.35 75.27 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.097 -0.956 . . . . 2.6099999999999999 111.67 -178.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 533' ' ' TRP . . . . . 1.045 ' HA ' ' HB3' ' A' ' 536' ' ' HIS . 0.0 OUTLIER -63.89 -10.01 18.41 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.277 -0.874 . . . . 0.68999999999999995 112.321 -168.299 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 534' ' ' LYS . . . . . 0.489 ' HA ' ' HD3' ' A' ' 534' ' ' LYS . 58.8 mmtt -63.15 -20.07 65.06 Favored 'General case' 0 C--N 1.319 -0.743 0 O-C-N 121.277 -0.889 . . . . 2.5800000000000001 109.463 174.685 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 535' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -99.81 -44.83 5.94 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.141 -0.936 . . . . 2.04 109.473 169.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 536' ' ' HIS . . . . . 1.045 ' HB3' ' HA ' ' A' ' 533' ' ' TRP . 58.2 t60 -61.49 -31.75 71.74 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 113.823 1.045 . . . . 0.68000000000000005 113.823 -178.247 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 537' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -46.58 -31.39 2.78 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.224 0.609 . . . . 1.8899999999999999 112.176 -178.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 538' ' ' HIS . . . . . . . . . . . . . 51.9 m-70 -72.12 -16.65 62.0 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.94 -0.573 . . . . 0.85999999999999999 111.548 -177.21 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 539' ' ' ILE . . . . . . . . . . . . . 27.1 pt -120.46 0.32 7.51 Favored 'Isoleucine or valine' 0 C--O 1.237 0.407 0 C-N-CA 120.761 -0.375 . . . . 1.8999999999999999 111.682 -175.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 4.1 t . . . . . 0 N--CA 1.45 -0.469 0 CA-C-O 121.17 0.51 . . . . 0.62 109.962 -179.229 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 503' ' ' SER . . . . . 0.555 ' HA ' ' HA ' ' A' ' 510' ' ' GLU . 67.4 m . . . . . 0 N--CA 1.44 -0.974 0 N-CA-C 105.734 -1.95 . . . . 1.8600000000000001 105.734 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 504' ' ' CYS . . . . . 0.795 ' HB2' ' HB3' ' A' ' 524' ' ' CYS . 46.4 t -53.04 111.35 0.66 Allowed 'General case' 0 N--CA 1.441 -0.913 0 C-N-CA 118.764 -1.174 . . . . 0.56999999999999995 108.612 167.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 39.9 t -67.6 -4.42 2.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-O 121.711 0.767 . . . . 1.3100000000000001 109.277 178.452 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 506' ' ' ASN . . . . . 0.43 ' HB3' ' SG ' ' A' ' 504' ' ' CYS . 6.5 t30 -106.7 -43.03 4.81 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.422 -0.808 . . . . 1.9299999999999999 111.843 -176.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -138.18 -82.44 0.32 Allowed 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 113.981 1.104 . . . . 1.0 113.981 -176.719 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 508' ' ' GLY . . . . . . . . . . . . . . . -117.2 -112.39 2.64 Favored Glycine 0 C--N 1.335 0.493 0 N-CA-C 116.105 1.202 . . . . 1.26 116.105 -159.355 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 509' ' ' ARG . . . . . 0.418 HH11 ' HD3' ' A' ' 509' ' ' ARG . 0.0 OUTLIER -66.66 -178.77 0.75 Allowed 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 114.747 -0.726 . . . . 5.5800000000000001 111.858 -169.918 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 510' ' ' GLU . . . . . 0.555 ' HA ' ' HA ' ' A' ' 503' ' ' SER . 8.6 pt-20 -56.98 -50.34 72.98 Favored 'General case' 0 N--CA 1.462 0.16 0 N-CA-C 112.131 0.419 . . . . 2.8199999999999998 112.131 -167.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 511' ' ' ALA . . . . . 0.53 ' HB1' ' O ' ' A' ' 510' ' ' GLU . . . 161.15 166.37 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 123.782 0.676 . . . . 1.3700000000000001 111.161 -178.359 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 67.2 mtt -105.04 -61.68 1.44 Allowed 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 107.838 -1.171 . . . . 2.5800000000000001 107.838 164.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 19.6 m -118.8 170.92 8.59 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.403 -0.817 . . . . 1.47 110.389 172.018 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 514' ' ' GLU . . . . . 0.541 ' HG2' ' HB3' ' A' ' 522' ' ' ASN . 36.5 mt-10 -101.84 156.95 17.2 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 108.57 -0.9 . . . . 0.97999999999999998 108.57 171.404 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 515' ' ' CYS . . . . . 0.416 ' HB2' HG22 ' A' ' 521' ' ' VAL . 35.8 t -39.16 108.87 0.09 Allowed 'General case' 0 C--O 1.217 -0.635 0 O-C-N 124.012 0.82 . . . . 0.38 111.347 -176.189 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 32.9 p -63.15 1.23 0.49 Allowed 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.345 0.869 . . . . 1.1000000000000001 113.345 -169.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -99.32 -11.99 43.39 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.684 -0.77 . . . . 0.44 113.03 176.091 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 24.8 p -161.52 -34.75 0.05 OUTLIER 'General case' 0 CA--C 1.534 0.33 0 CA-C-O 121.542 0.686 . . . . 0.38 111.583 -174.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 519' ' ' HIS . . . . . 0.507 ' HB3' ' HB2' ' A' ' 514' ' ' GLU . 5.5 m170 66.98 32.43 6.37 Favored 'General case' 0 C--O 1.224 -0.268 0 C-N-CA 124.985 1.314 . . . . 0.38 110.099 -176.266 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 51.5 mttp -85.59 -11.82 53.04 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.291 -0.413 . . . . 2.9300000000000002 111.15 176.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 521' ' ' VAL . . . . . 0.416 HG22 ' HB2' ' A' ' 515' ' ' CYS . 10.5 m -141.29 159.19 22.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 107.475 -1.306 . . . . 1.1499999999999999 107.475 -177.203 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 522' ' ' ASN . . . . . 0.541 ' HB3' ' HG2' ' A' ' 514' ' ' GLU . 3.0 p-10 -137.48 145.61 43.26 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 121.299 0.571 . . . . 1.75 111.28 -172.104 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 523' ' ' TYR . . . . . 0.887 ' HB3' ' HB2' ' A' ' 528' ' ' CYS . 84.9 m-85 -138.71 147.95 43.36 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 114.947 -1.024 . . . . 0.89000000000000001 110.192 -172.695 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 524' ' ' CYS . . . . . 0.795 ' HB3' ' HB2' ' A' ' 504' ' ' CYS . 11.6 p -69.43 -36.95 77.16 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 115.39 -0.823 . . . . 0.37 111.166 -174.468 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 45.4 m -127.37 177.57 6.63 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.942 -0.572 . . . . 1.6799999999999999 111.21 175.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 69.1 m -70.93 -41.59 70.99 Favored 'General case' 0 C--O 1.236 0.355 0 N-CA-C 112.249 0.463 . . . . 1.26 112.249 178.38 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 527' ' ' PHE . . . . . . . . . . . . . 43.1 p90 -58.72 -34.78 71.72 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 120.986 -0.286 . . . . 0.5 110.942 -176.423 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 528' ' ' CYS . . . . . 0.887 ' HB2' ' HB3' ' A' ' 523' ' ' TYR . 2.1 m -56.55 -46.85 80.45 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-O 121.244 0.545 . . . . 0.84999999999999998 110.907 178.405 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 529' ' ' GLN . . . . . 0.784 ' O ' ' HB3' ' A' ' 533' ' ' TRP . 14.7 tt0 -62.57 -44.19 96.95 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 114.995 -1.002 . . . . 2.8599999999999999 109.214 -175.175 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 530' ' ' ARG . . . . . 0.577 ' O ' ' HE2' ' A' ' 534' ' ' LYS . 37.8 mtp180 -74.73 -33.81 62.43 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 114.955 -1.021 . . . . 4.5899999999999999 111.713 -175.572 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 531' ' ' LYS . . . . . 0.696 ' O ' ' HG2' ' A' ' 534' ' ' LYS . 66.6 mttm -77.67 -52.79 8.41 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.029 0.381 . . . . 3.6699999999999999 112.029 -176.753 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 532' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -66.77 -27.23 67.42 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.344 0.593 . . . . 2.6099999999999999 111.114 -176.52 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 533' ' ' TRP . . . . . 0.784 ' HB3' ' O ' ' A' ' 529' ' ' GLN . 0.0 OUTLIER -71.24 0.28 8.28 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.639 -0.709 . . . . 0.68999999999999995 112.329 -171.355 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 534' ' ' LYS . . . . . 0.696 ' HG2' ' O ' ' A' ' 531' ' ' LYS . 65.4 mmtt -60.38 -28.57 68.31 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 108.349 -0.982 . . . . 2.5800000000000001 108.349 173.719 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 535' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -85.1 -45.43 12.09 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 114.613 -1.176 . . . . 2.04 109.819 173.524 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 536' ' ' HIS . . . . . 0.715 ' HB3' ' HA ' ' A' ' 533' ' ' TRP . 37.9 t60 -67.79 -31.84 72.0 Favored 'General case' 0 CA--C 1.551 1.003 0 N-CA-C 114.164 1.172 . . . . 0.68000000000000005 114.164 -176.058 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 537' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -50.08 -25.6 3.62 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.136 0.575 . . . . 1.8899999999999999 112.182 -177.076 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 538' ' ' HIS . . . . . . . . . . . . . 42.4 m-70 -74.7 -17.29 60.69 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.066 -0.516 . . . . 0.85999999999999999 111.053 -177.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 539' ' ' ILE . . . . . 0.412 HG12 ' O ' ' A' ' 536' ' ' HIS . 29.0 pt -120.87 -7.59 10.26 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 C-N-CA 120.581 -0.448 . . . . 1.8999999999999999 110.873 -172.48 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 4.7 t . . . . . 0 N--CA 1.447 -0.622 0 CA-C-O 121.478 0.656 . . . . 0.62 110.153 -177.635 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 503' ' ' SER . . . . . 0.652 ' HA ' ' HA ' ' A' ' 510' ' ' GLU . 23.3 m . . . . . 0 N--CA 1.444 -0.758 0 N-CA-C 106.889 -1.523 . . . . 1.8600000000000001 106.889 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 504' ' ' CYS . . . . . 0.626 ' HB2' ' HB3' ' A' ' 524' ' ' CYS . 49.1 t -48.88 119.47 3.2 Favored 'General case' 0 N--CA 1.443 -0.79 0 C-N-CA 119.028 -1.069 . . . . 0.56999999999999995 109.1 171.491 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 505' ' ' VAL . . . . . 0.439 HG13 ' O ' ' A' ' 505' ' ' VAL . 21.3 t -76.17 19.87 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-O 122.05 0.929 . . . . 1.3100000000000001 109.38 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 506' ' ' ASN . . . . . 0.551 ' H ' ' C ' ' A' ' 504' ' ' CYS . 3.0 t-20 -139.0 -40.91 0.48 Allowed 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 115.265 -0.879 . . . . 1.9299999999999999 112.438 -179.161 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -137.26 -87.45 0.29 Allowed 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 114.076 1.139 . . . . 1.0 114.076 -174.78 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 508' ' ' GLY . . . . . . . . . . . . . . . -112.47 -115.06 3.36 Favored Glycine 0 N--CA 1.451 -0.334 0 N-CA-C 115.445 0.938 . . . . 1.26 115.445 -159.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 509' ' ' ARG . . . . . . . . . . . . . 52.5 mtm180 -65.07 -178.83 0.49 Allowed 'General case' 0 CA--C 1.517 -0.29 0 C-N-CA 123.065 0.546 . . . . 5.5800000000000001 111.581 -169.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 510' ' ' GLU . . . . . 0.652 ' HA ' ' HA ' ' A' ' 503' ' ' SER . 9.6 pt-20 -58.62 -49.0 79.11 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.415 0.524 . . . . 2.8199999999999998 112.415 -168.083 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 511' ' ' ALA . . . . . 0.502 ' HB3' ' O ' ' A' ' 510' ' ' GLU . . . 164.87 156.82 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 123.547 0.529 . . . . 1.3700000000000001 111.376 -176.047 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 27.2 ttt -100.14 -62.96 1.17 Allowed 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.016 -1.105 . . . . 2.5800000000000001 108.016 167.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 27.4 p -118.66 172.22 7.65 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.606 -0.725 . . . . 1.47 110.624 170.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 514' ' ' GLU . . . . . 0.439 ' HB2' ' HB3' ' A' ' 519' ' ' HIS . 41.7 mt-10 -102.71 157.79 16.7 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 108.774 -0.824 . . . . 0.97999999999999998 108.774 170.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 515' ' ' CYS . . . . . 0.459 ' HB2' HG22 ' A' ' 521' ' ' VAL . 45.7 t -38.75 109.24 0.1 Allowed 'General case' 0 N--CA 1.47 0.528 0 O-C-N 124.05 0.844 . . . . 0.38 111.552 -178.782 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 15.6 p -73.84 34.56 0.09 Allowed 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 113.084 0.772 . . . . 1.1000000000000001 113.084 -170.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 517' ' ' GLY . . . . . 0.442 ' H ' ' C ' ' A' ' 515' ' ' CYS . . . -132.8 -4.31 3.43 Favored Glycine 0 N--CA 1.443 -0.878 0 N-CA-C 111.099 -0.8 . . . . 0.44 111.099 171.019 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 21.1 p -164.39 -38.19 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.396 0 CA-C-O 121.566 0.698 . . . . 0.38 110.778 -176.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 519' ' ' HIS . . . . . 0.439 ' HB3' ' HB2' ' A' ' 514' ' ' GLU . 7.1 m170 67.26 38.84 3.2 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 114.348 -1.296 . . . . 0.38 109.899 -175.614 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 21.8 mtpp -97.6 -7.66 30.65 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-N 115.897 -0.592 . . . . 2.9300000000000002 112.023 176.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 521' ' ' VAL . . . . . 0.459 HG22 ' HB2' ' A' ' 515' ' ' CYS . 19.2 m -140.74 162.13 23.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 107.216 -1.402 . . . . 1.1499999999999999 107.216 178.615 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 -148.06 145.7 28.55 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-O 121.367 0.603 . . . . 1.75 111.35 -171.121 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 523' ' ' TYR . . . . . 0.716 ' HB3' ' HB2' ' A' ' 528' ' ' CYS . 96.1 m-85 -139.63 159.28 42.54 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 115.191 -0.913 . . . . 0.89000000000000001 109.856 -179.248 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 524' ' ' CYS . . . . . 0.626 ' HB3' ' HB2' ' A' ' 504' ' ' CYS . 17.1 p -67.77 -43.89 78.77 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.265 0.555 . . . . 0.37 110.825 -174.783 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 9.3 t -125.25 179.48 5.06 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.521 -0.763 . . . . 1.6799999999999999 110.425 179.112 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 30.5 m -70.32 -41.57 73.08 Favored 'General case' 0 C--O 1.235 0.322 0 N-CA-C 112.354 0.502 . . . . 1.26 112.354 -178.186 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 527' ' ' PHE . . . . . . . . . . . . . 46.6 p90 -58.23 -37.46 74.93 Favored 'General case' 0 N--CA 1.463 0.182 0 N-CA-C 111.689 0.255 . . . . 0.5 111.689 -173.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 528' ' ' CYS . . . . . 0.716 ' HB2' ' HB3' ' A' ' 523' ' ' TYR . 0.5 OUTLIER -57.86 -43.94 86.29 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.222 0.534 . . . . 0.84999999999999998 111.071 -179.563 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 529' ' ' GLN . . . . . 0.724 ' O ' ' HB3' ' A' ' 533' ' ' TRP . 28.2 tp60 -67.1 -40.1 86.85 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.277 -0.874 . . . . 2.8599999999999999 109.836 -174.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 7.2 ttm180 -71.23 -36.81 71.97 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.679 -0.691 . . . . 4.5899999999999999 110.538 -179.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 531' ' ' LYS . . . . . 0.47 ' O ' ' HG2' ' A' ' 534' ' ' LYS . 9.2 mtpm? -69.58 -60.37 2.37 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.169 0.509 . . . . 3.6699999999999999 111.701 -179.253 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 532' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -83.4 -15.54 49.36 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 113.385 0.883 . . . . 2.6099999999999999 113.385 -164.13 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 533' ' ' TRP . . . . . 0.724 ' HB3' ' O ' ' A' ' 529' ' ' GLN . 0.0 OUTLIER -72.14 3.8 4.18 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 111.868 0.322 . . . . 0.68999999999999995 111.868 -178.422 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 534' ' ' LYS . . . . . 0.483 ' HA ' ' OE1' ' A' ' 537' ' ' GLN . 1.2 mmpp? -50.15 -32.06 15.12 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 120.739 0.304 . . . . 2.5800000000000001 111.162 177.01 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 535' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -86.58 -32.32 20.72 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.531 0.681 . . . . 2.04 110.797 177.191 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 536' ' ' HIS . . . . . 0.412 ' O ' HG12 ' A' ' 539' ' ' ILE . 43.2 t60 -79.09 -33.22 44.68 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.139 -0.937 . . . . 0.68000000000000005 112.829 -174.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 537' ' ' GLN . . . . . 0.506 ' HB3' ' CE2' ' A' ' 533' ' ' TRP . 19.7 pt20 -50.77 -24.59 3.57 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-O 121.097 0.475 . . . . 1.8899999999999999 111.939 -177.556 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 538' ' ' HIS . . . . . . . . . . . . . 26.0 m-70 -75.23 -17.08 60.41 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.617 -0.719 . . . . 0.85999999999999999 111.541 -177.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 539' ' ' ILE . . . . . 0.412 HG12 ' O ' ' A' ' 536' ' ' HIS . 27.9 pt -120.27 -10.65 10.25 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 C-N-CA 120.64 -0.424 . . . . 1.8999999999999999 110.99 -173.44 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 4.6 t -64.86 139.81 58.8 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-O 121.567 0.698 . . . . 0.62 110.256 -178.031 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . 110.24 -15.29 30.46 Favored Glycine 0 C--N 1.309 -0.934 0 CA-C-N 114.732 -1.122 . . . . 2.02 111.165 -178.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -110.44 119.47 39.3 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.209 -0.495 . . . . 6.7800000000000002 109.791 178.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 8.7 t -82.8 72.32 9.88 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.185 0.517 . . . . 6.9199999999999999 110.074 -178.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 544' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.856 0 CA-C-O 118.806 -0.616 . . . . 8.8300000000000001 109.748 177.878 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 20.6 m . . . . . 0 N--CA 1.444 -0.756 0 N-CA-C 106.385 -1.709 . . . . 1.8600000000000001 106.385 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 504' ' ' CYS . . . . . 0.738 ' HB2' ' HB3' ' A' ' 524' ' ' CYS . 40.3 t -49.54 120.23 4.01 Favored 'General case' 0 N--CA 1.446 -0.627 0 C-N-CA 119.469 -0.892 . . . . 0.56999999999999995 108.831 168.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 505' ' ' VAL . . . . . 0.441 ' O ' HG12 ' A' ' 505' ' ' VAL . 16.1 t -75.95 19.46 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 121.966 0.889 . . . . 1.3100000000000001 109.865 179.778 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 506' ' ' ASN . . . . . 0.599 ' HB3' ' HB3' ' A' ' 528' ' ' CYS . 6.9 t30 -138.28 -43.33 0.51 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.693 -0.685 . . . . 1.9299999999999999 112.249 -176.687 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -148.1 -89.06 0.08 Allowed 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 114.353 1.242 . . . . 1.0 114.353 -176.631 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 508' ' ' GLY . . . . . . . . . . . . . . . -83.18 -130.3 1.59 Allowed Glycine 0 C--N 1.333 0.416 0 N-CA-C 115.676 1.03 . . . . 1.26 115.676 -160.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 509' ' ' ARG . . . . . 0.485 ' HB3' ' H ' ' A' ' 510' ' ' GLU . 30.9 mtt-85 -75.43 -162.89 0.21 Allowed 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 113.115 0.783 . . . . 5.5800000000000001 113.115 -170.351 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 510' ' ' GLU . . . . . 0.485 ' H ' ' HB3' ' A' ' 509' ' ' ARG . 0.2 OUTLIER -57.11 -50.81 71.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.133 -0.94 . . . . 2.8199999999999998 112.511 -163.376 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 511' ' ' ALA . . . . . 0.457 ' HB1' ' O ' ' A' ' 510' ' ' GLU . . . 170.77 153.56 0.06 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.032 0.444 . . . . 1.3700000000000001 111.42 -175.787 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 17.7 tpt -110.99 -72.2 0.73 Allowed 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 107.831 -1.174 . . . . 2.5800000000000001 107.831 169.026 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 21.7 p -118.3 171.98 7.76 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-O 121.53 0.681 . . . . 1.47 110.375 169.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 514' ' ' GLU . . . . . 0.448 ' HB2' ' CG ' ' A' ' 519' ' ' HIS . 4.2 mt-10 -97.36 154.85 17.18 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 114.999 -1.0 . . . . 0.97999999999999998 109.138 172.31 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 515' ' ' CYS . . . . . 0.488 ' HA ' ' HG3' ' A' ' 529' ' ' GLN . 10.8 t -40.41 111.41 0.2 Allowed 'General case' 0 N--CA 1.468 0.436 0 O-C-N 123.911 0.757 . . . . 0.38 111.46 177.689 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 44.9 p -71.5 22.46 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.856 0.688 . . . . 1.1000000000000001 112.856 -173.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 517' ' ' GLY . . . . . 0.452 ' H ' ' C ' ' A' ' 515' ' ' CYS . . . -114.17 -13.92 9.56 Favored Glycine 0 N--CA 1.442 -0.933 0 N-CA-C 111.506 -0.638 . . . . 0.44 111.506 171.035 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 24.1 p -158.99 -39.41 0.06 Allowed 'General case' 0 CA--C 1.535 0.392 0 CA-C-O 121.412 0.625 . . . . 0.38 111.484 -175.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 519' ' ' HIS . . . . . 0.448 ' CG ' ' HB2' ' A' ' 514' ' ' GLU . 9.7 m170 72.45 23.81 3.07 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 125.066 1.346 . . . . 0.38 110.792 -175.592 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 56.3 mtpt -79.9 -8.07 59.1 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 116.223 -0.444 . . . . 2.9300000000000002 111.568 178.209 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 521' ' ' VAL . . . . . . . . . . . . . 11.5 m -141.76 163.43 19.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 108.325 -0.991 . . . . 1.1499999999999999 108.325 -177.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -137.06 143.73 42.8 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 121.339 0.59 . . . . 1.75 110.776 -173.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 523' ' ' TYR . . . . . 0.832 ' HB3' ' HB2' ' A' ' 528' ' ' CYS . 79.4 m-85 -139.41 160.47 39.77 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.185 -0.916 . . . . 0.89000000000000001 109.86 -175.116 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 524' ' ' CYS . . . . . 0.738 ' HB3' ' HB2' ' A' ' 504' ' ' CYS . 13.0 p -76.47 -37.32 57.07 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.982 0.42 . . . . 0.37 110.885 -177.535 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 28.9 t -127.38 179.08 5.66 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.913 -0.585 . . . . 1.6799999999999999 111.242 174.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 18.5 m -72.07 -36.44 69.54 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 122.512 0.325 . . . . 1.26 111.738 177.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 527' ' ' PHE . . . . . . . . . . . . . 20.0 p90 -63.05 -33.61 75.8 Favored 'General case' 0 CA--C 1.523 -0.086 0 C-N-CA 120.488 -0.485 . . . . 0.5 110.899 -176.24 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 528' ' ' CYS . . . . . 0.832 ' HB2' ' HB3' ' A' ' 523' ' ' TYR . 1.3 m -58.23 -42.08 85.54 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-O 121.34 0.591 . . . . 0.84999999999999998 110.801 176.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 529' ' ' GLN . . . . . 0.53 ' HA ' ' CE2' ' A' ' 523' ' ' TYR . 22.0 tt0 -59.42 -49.98 75.72 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-N 114.331 -1.304 . . . . 2.8599999999999999 109.409 -174.46 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 18.8 mtt180 -78.95 -27.73 43.63 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 114.187 -1.37 . . . . 4.5899999999999999 112.635 -174.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 531' ' ' LYS . . . . . 0.774 ' O ' ' HE2' ' A' ' 534' ' ' LYS . 61.0 mttp -72.08 -59.25 2.84 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.817 0.341 . . . . 3.6699999999999999 111.002 178.001 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 532' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -57.6 -28.32 63.52 Favored 'General case' 0 CA--C 1.511 -0.531 0 CA-C-O 121.778 0.799 . . . . 2.6099999999999999 111.319 -177.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 533' ' ' TRP . . . . . 1.031 ' HA ' ' HB3' ' A' ' 536' ' ' HIS . 0.0 OUTLIER -64.36 -10.0 21.67 Favored 'General case' 0 N--CA 1.438 -1.058 0 CA-C-N 114.564 -1.198 . . . . 0.68999999999999995 112.527 -170.101 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 534' ' ' LYS . . . . . 0.774 ' HE2' ' O ' ' A' ' 531' ' ' LYS . 28.5 mtmt -64.23 -15.8 60.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 121.017 -1.052 . . . . 2.5800000000000001 110.005 176.134 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 535' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -101.78 -43.4 5.85 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.199 -0.91 . . . . 2.04 109.443 168.21 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 536' ' ' HIS . . . . . 1.031 ' HB3' ' HA ' ' A' ' 533' ' ' TRP . 66.6 t60 -62.95 -28.4 70.05 Favored 'General case' 0 CA--C 1.549 0.908 0 CA-C-N 114.683 -1.144 . . . . 0.68000000000000005 113.658 -177.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 537' ' ' GLN . . . . . 0.404 ' HB3' ' CE2' ' A' ' 533' ' ' TRP . 3.1 pt20 -49.46 -31.9 10.87 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 118.201 0.455 . . . . 1.8899999999999999 111.624 -178.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 538' ' ' HIS . . . . . . . . . . . . . 41.7 m-70 -72.14 -15.65 61.98 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.717 -0.674 . . . . 0.85999999999999999 111.33 -177.281 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 539' ' ' ILE . . . . . . . . . . . . . 29.3 pt -120.13 0.25 7.65 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.357 0 CA-C-O 120.964 0.412 . . . . 1.8999999999999999 110.004 -175.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 2.0 t -84.23 149.18 26.29 Favored 'General case' 0 N--CA 1.445 -0.694 0 N-CA-C 109.232 -0.655 . . . . 0.62 109.232 175.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . 84.94 -46.66 3.72 Favored Glycine 0 C--N 1.31 -0.9 0 CA-C-N 115.136 -0.938 . . . . 2.02 111.856 177.283 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -74.88 91.91 2.5 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.421 -0.585 . . . . 6.7800000000000002 109.421 177.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 15.1 m -146.89 170.38 17.18 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.647 -0.706 . . . . 6.9199999999999999 109.933 -177.023 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 544' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.998 0 CA-C-O 118.73 -0.653 . . . . 8.8300000000000001 110.283 177.54 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 48.9 m . . . . . 0 N--CA 1.444 -0.729 0 N-CA-C 108.242 -1.021 . . . . 1.8600000000000001 108.242 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 504' ' ' CYS . . . . . 0.872 ' HB2' ' HB3' ' A' ' 524' ' ' CYS . 41.3 t -65.76 106.44 1.51 Allowed 'General case' 0 N--CA 1.441 -0.882 0 N-CA-C 107.794 -1.188 . . . . 0.56999999999999995 107.794 169.593 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 505' ' ' VAL . . . . . 0.498 ' HB ' ' CE2' ' A' ' 523' ' ' TYR . 26.0 t -69.85 7.74 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 121.95 0.881 . . . . 1.3100000000000001 110.345 -178.602 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 506' ' ' ASN . . . . . 0.614 ' HB3' ' HB3' ' A' ' 528' ' ' CYS . 25.3 t-20 -120.87 -45.16 2.39 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.787 -0.642 . . . . 1.9299999999999999 111.977 -179.825 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 507' ' ' CYS . . . . . 0.452 ' N ' ' SG ' ' A' ' 504' ' ' CYS . 0.5 OUTLIER -149.44 -48.44 0.14 Allowed 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 114.971 1.471 . . . . 1.0 114.971 -169.458 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 508' ' ' GLY . . . . . 0.497 ' H ' ' HB3' ' A' ' 504' ' ' CYS . . . -130.72 -122.4 2.4 Favored Glycine 0 CA--C 1.523 0.558 0 C-N-CA 119.582 -1.294 . . . . 1.26 115.727 -163.49 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 509' ' ' ARG . . . . . 0.403 ' HA ' ' HD3' ' A' ' 509' ' ' ARG . 28.3 mmt180 -87.08 -175.42 5.33 Favored 'General case' 0 C--O 1.22 -0.476 0 N-CA-C 112.951 0.723 . . . . 5.5800000000000001 112.951 -167.519 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -75.43 17.44 0.27 Allowed 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 115.263 1.579 . . . . 2.8199999999999998 115.263 -161.278 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 511' ' ' ALA . . . . . 0.712 ' HA ' ' HA ' ' A' ' 524' ' ' CYS . . . 71.19 135.06 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 121.786 0.803 . . . . 1.3700000000000001 112.948 174.326 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 62.1 mtt -85.18 -45.93 11.56 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-N 115.211 -0.904 . . . . 2.5800000000000001 109.338 179.206 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 20.9 p -118.04 171.83 7.82 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.481 -0.781 . . . . 1.47 110.678 172.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 514' ' ' GLU . . . . . 0.491 ' HB2' ' HB3' ' A' ' 519' ' ' HIS . 82.9 mt-10 -106.47 149.93 26.58 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-N 115.014 -0.993 . . . . 0.97999999999999998 108.325 174.296 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 515' ' ' CYS . . . . . 0.439 ' O ' ' N ' ' A' ' 519' ' ' HIS . 6.1 t -39.05 114.18 0.37 Allowed 'General case' 0 C--O 1.219 -0.545 0 O-C-N 124.096 0.873 . . . . 0.38 111.628 -174.673 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 45.6 p -63.63 -3.65 2.4 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 112.988 0.736 . . . . 1.1000000000000001 112.988 -169.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 517' ' ' GLY . . . . . 0.43 ' CA ' ' HB2' ' A' ' 542' ' ' GLN . . . -93.52 -9.2 60.38 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.572 -0.823 . . . . 0.44 112.41 178.268 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 24.5 p -164.62 -38.55 0.03 OUTLIER 'General case' 0 CA--C 1.538 0.494 0 CA-C-O 121.278 0.561 . . . . 0.38 112.027 -175.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 519' ' ' HIS . . . . . 0.491 ' HB3' ' HB2' ' A' ' 514' ' ' GLU . 6.6 m170 67.04 29.28 8.07 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 124.99 1.316 . . . . 0.38 110.039 -172.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -91.71 -9.51 43.54 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 115.927 -0.579 . . . . 2.9300000000000002 111.125 178.447 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 521' ' ' VAL . . . . . . . . . . . . . 28.4 m -141.34 170.0 13.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 108.082 -1.081 . . . . 1.1499999999999999 108.082 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 522' ' ' ASN . . . . . 0.498 ' HB2' ' CB ' ' A' ' 511' ' ' ALA . 27.1 p-10 -148.56 139.55 23.08 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.455 0.645 . . . . 1.75 111.866 -176.251 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 523' ' ' TYR . . . . . 0.692 ' HB3' ' HB2' ' A' ' 528' ' ' CYS . 70.9 m-85 -139.63 142.99 37.01 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.165 -0.925 . . . . 0.89000000000000001 108.612 176.618 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 524' ' ' CYS . . . . . 0.872 ' HB3' ' HB2' ' A' ' 504' ' ' CYS . 6.2 p -59.44 -41.32 89.34 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 111.96 0.355 . . . . 0.37 111.96 -165.553 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 18.5 t -124.44 175.6 7.02 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.911 -0.586 . . . . 1.6799999999999999 110.826 -179.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 526' ' ' THR . . . . . 0.59 ' HA ' HE21 ' A' ' 529' ' ' GLN . 11.0 m -66.16 -42.0 89.59 Favored 'General case' 0 C--O 1.236 0.358 0 O-C-N 122.224 -0.298 . . . . 1.26 111.797 -177.159 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 527' ' ' PHE . . . . . . . . . . . . . 54.3 p90 -62.71 -37.97 88.6 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.864 -0.334 . . . . 0.5 110.843 -175.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 528' ' ' CYS . . . . . 0.692 ' HB2' ' HB3' ' A' ' 523' ' ' TYR . 3.9 m -56.54 -40.86 75.82 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-O 121.192 0.52 . . . . 0.84999999999999998 110.931 178.358 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 529' ' ' GLN . . . . . 0.654 ' O ' ' HB3' ' A' ' 533' ' ' TRP . 47.8 mt-30 -68.0 -49.68 60.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.608 -0.723 . . . . 2.8599999999999999 109.955 -177.855 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 65.1 mtp180 -74.08 -26.8 60.57 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.973 -1.012 . . . . 4.5899999999999999 111.547 -172.185 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 531' ' ' LYS . . . . . 0.472 ' O ' ' HG2' ' A' ' 534' ' ' LYS . 31.9 mmtp -76.35 -51.81 11.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.788 0.328 . . . . 3.6699999999999999 111.062 178.18 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 532' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.6 -33.33 58.42 Favored 'General case' 0 CA--C 1.509 -0.612 0 N-CA-C 112.662 0.616 . . . . 2.6099999999999999 112.662 -170.002 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 533' ' ' TRP . . . . . 0.805 ' HH2' ' HA ' ' A' ' 543' ' ' SER . 0.0 OUTLIER -65.8 6.25 0.37 Allowed 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.856 0.687 . . . . 0.68999999999999995 112.856 -168.427 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 534' ' ' LYS . . . . . 0.472 ' HG2' ' O ' ' A' ' 531' ' ' LYS . 62.0 mmtt -53.53 -21.31 6.18 Favored 'General case' 0 C--N 1.322 -0.606 0 O-C-N 121.866 -0.521 . . . . 2.5800000000000001 111.445 176.212 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 535' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -99.79 -24.9 14.54 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.519 0.676 . . . . 2.04 110.539 172.819 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 536' ' ' HIS . . . . . 0.621 ' HB3' ' HB2' ' A' ' 533' ' ' TRP . 57.8 t60 -78.72 -29.12 45.16 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.241 -0.891 . . . . 0.68000000000000005 111.738 -178.334 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 537' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -54.87 -23.47 18.72 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.067 0.461 . . . . 1.8899999999999999 110.969 177.361 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 538' ' ' HIS . . . . . . . . . . . . . 51.5 m-70 -77.03 -20.96 55.28 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.557 -0.747 . . . . 0.85999999999999999 111.297 -178.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 539' ' ' ILE . . . . . . . . . . . . . 11.8 tt -119.47 -18.85 5.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.128 0.49 . . . . 1.8999999999999999 110.108 -171.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 2.9 t -69.14 149.94 48.09 Favored 'General case' 0 N--CA 1.442 -0.836 0 CA-C-O 121.493 0.664 . . . . 0.62 109.502 175.305 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -87.1 -42.29 6.33 Favored Glycine 0 C--N 1.314 -0.652 0 CA-C-N 114.652 -1.158 . . . . 2.02 112.208 179.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 542' ' ' GLN . . . . . 0.43 ' HB2' ' CA ' ' A' ' 517' ' ' GLY . 28.8 mm-40 -96.71 69.25 2.48 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.825 0.345 . . . . 6.7800000000000002 110.949 -178.541 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 543' ' ' SER . . . . . 0.805 ' HA ' ' HH2' ' A' ' 533' ' ' TRP . 15.3 m -76.76 77.88 3.38 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.109 -0.496 . . . . 6.9199999999999999 110.352 177.216 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 544' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.64 -0.695 . . . . 8.8300000000000001 110.327 -179.442 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 47.6 p . . . . . 0 N--CA 1.44 -0.928 0 N-CA-C 108.873 -0.788 . . . . 1.8600000000000001 108.873 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 504' ' ' CYS . . . . . 0.579 ' HB2' ' HB3' ' A' ' 524' ' ' CYS . 46.4 t -46.51 131.94 10.84 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 109.476 -0.565 . . . . 0.56999999999999995 109.476 171.087 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 505' ' ' VAL . . . . . 0.423 HG13 ' O ' ' A' ' 505' ' ' VAL . 13.0 t -75.25 21.44 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 122.034 0.921 . . . . 1.3100000000000001 109.62 178.395 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 506' ' ' ASN . . . . . 0.75 HD21 ' HB3' ' A' ' 528' ' ' CYS . 47.7 t30 -145.86 -32.26 0.36 Allowed 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 115.389 -0.823 . . . . 1.9299999999999999 111.776 -178.278 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 507' ' ' CYS . . . . . 0.424 ' HB2' ' H ' ' A' ' 508' ' ' GLY . 0.0 OUTLIER -140.84 -93.36 0.15 Allowed 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 112.293 0.479 . . . . 1.0 112.293 -176.266 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 508' ' ' GLY . . . . . 0.701 ' O ' ' HB3' ' A' ' 524' ' ' CYS . . . -148.42 -166.83 13.15 Favored Glycine 0 C--O 1.214 -1.142 0 CA-C-O 119.352 -0.693 . . . . 1.26 112.118 -173.524 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 509' ' ' ARG . . . . . 0.469 ' C ' ' H ' ' A' ' 511' ' ' ALA . 1.2 tpm_? 65.76 138.92 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 117.333 0.567 . . . . 5.5800000000000001 111.064 175.644 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.95 19.7 0.21 Allowed 'General case' 0 C--N 1.327 -0.402 0 O-C-N 121.349 -0.844 . . . . 2.8199999999999998 111.395 -179.021 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 511' ' ' ALA . . . . . 0.469 ' H ' ' C ' ' A' ' 509' ' ' ARG . . . 76.51 148.03 0.1 Allowed 'General case' 0 C--O 1.233 0.23 0 C-N-CA 123.902 0.881 . . . . 1.3700000000000001 112.042 174.802 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 63.9 mtt -100.39 -57.68 2.06 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.47 -0.786 . . . . 2.5800000000000001 109.016 178.117 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 22.8 m -116.8 172.22 7.38 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.759 -0.655 . . . . 1.47 110.341 171.175 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 514' ' ' GLU . . . . . 0.512 ' HB2' ' CG ' ' A' ' 519' ' ' HIS . 1.2 mt-10 -106.4 162.09 14.0 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.065 -0.97 . . . . 0.97999999999999998 109.534 177.503 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 515' ' ' CYS . . . . . 0.442 ' HB2' HG22 ' A' ' 521' ' ' VAL . 46.6 t -43.5 107.08 0.08 Allowed 'General case' 0 N--CA 1.468 0.436 0 O-C-N 123.842 0.714 . . . . 0.38 109.676 175.112 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 516' ' ' THR . . . . . 0.561 ' HA ' ' NE2' ' A' ' 519' ' ' HIS . 0.2 OUTLIER -65.66 -2.39 3.53 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 113.52 0.933 . . . . 1.1000000000000001 113.52 -164.16 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -94.68 -13.01 54.98 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.367 -0.921 . . . . 0.44 112.597 177.196 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 518' ' ' CYS . . . . . 0.406 ' SG ' ' N ' ' A' ' 519' ' ' HIS . 30.8 p -153.46 -42.74 0.09 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.633 0.73 . . . . 0.38 111.529 -174.384 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 519' ' ' HIS . . . . . 0.561 ' NE2' ' HA ' ' A' ' 516' ' ' THR . 6.6 m170 69.38 25.44 5.52 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 114.463 -1.244 . . . . 0.38 109.826 -177.55 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 520' ' ' LYS . . . . . 0.571 ' HZ2' ' HB3' ' A' ' 520' ' ' LYS . 9.4 mtpm? -87.28 -3.27 59.03 Favored 'General case' 0 N--CA 1.461 0.116 0 CA-C-N 115.412 -0.813 . . . . 2.9300000000000002 110.878 176.511 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 521' ' ' VAL . . . . . 0.442 HG22 ' HB2' ' A' ' 515' ' ' CYS . 13.1 m -146.73 166.05 7.22 Favored 'Isoleucine or valine' 0 C--O 1.237 0.44 0 N-CA-C 107.437 -1.32 . . . . 1.1499999999999999 107.437 179.627 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -151.49 150.97 31.0 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.362 0.601 . . . . 1.75 111.578 -173.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 523' ' ' TYR . . . . . 0.507 ' HB3' ' HB2' ' A' ' 528' ' ' CYS . 71.3 m-85 -139.91 153.67 47.03 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.985 -1.007 . . . . 0.89000000000000001 110.067 -177.095 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 524' ' ' CYS . . . . . 0.701 ' HB3' ' O ' ' A' ' 508' ' ' GLY . 21.3 p -57.73 -51.4 69.71 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 121.243 0.544 . . . . 0.37 110.579 -177.033 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 525' ' ' SER . . . . . 0.574 ' HB3' ' CE1' ' A' ' 527' ' ' PHE . 20.9 t -127.19 -175.05 3.32 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.396 -0.82 . . . . 1.6799999999999999 110.591 179.504 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 9.0 m -69.74 -38.54 76.86 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.847 0.684 . . . . 1.26 112.847 -177.427 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 527' ' ' PHE . . . . . 0.574 ' CE1' ' HB3' ' A' ' 525' ' ' SER . 47.5 p90 -58.14 -42.79 86.64 Favored 'General case' 0 N--CA 1.466 0.325 0 N-CA-C 112.031 0.382 . . . . 0.5 112.031 -170.299 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 528' ' ' CYS . . . . . 0.75 ' HB3' HD21 ' A' ' 506' ' ' ASN . 0.0 OUTLIER -61.57 -35.94 79.22 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.321 0.581 . . . . 0.84999999999999998 111.22 -179.721 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 529' ' ' GLN . . . . . 0.739 ' O ' ' HB3' ' A' ' 533' ' ' TRP . 31.2 tt0 -67.05 -45.53 77.11 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 115.075 -0.966 . . . . 2.8599999999999999 109.066 -176.095 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 530' ' ' ARG . . . . . 0.57 ' O ' ' HE2' ' A' ' 534' ' ' LYS . 89.5 mtt180 -75.3 -41.6 56.59 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.588 -0.733 . . . . 4.5899999999999999 112.212 -179.318 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 531' ' ' LYS . . . . . 0.424 ' O ' ' HG2' ' A' ' 534' ' ' LYS . 65.4 mttm -70.97 -43.49 67.97 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.409 0.522 . . . . 3.6699999999999999 112.409 -174.384 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 532' ' ' ASP . . . . . 0.464 ' HB2' ' O ' ' A' ' 528' ' ' CYS . 0.3 OUTLIER -87.06 -22.96 25.11 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 112.869 0.692 . . . . 2.6099999999999999 112.869 -172.378 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 533' ' ' TRP . . . . . 0.739 ' HB3' ' O ' ' A' ' 529' ' ' GLN . 0.0 OUTLIER -72.89 4.77 3.8 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 112.42 0.526 . . . . 0.68999999999999995 112.42 -173.576 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 534' ' ' LYS . . . . . 0.57 ' HE2' ' O ' ' A' ' 530' ' ' ARG . 70.3 mmtt -54.65 -24.55 22.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 122.164 -0.335 . . . . 2.5800000000000001 111.208 179.627 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 535' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -95.89 -31.08 13.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.468 0.651 . . . . 2.04 110.518 174.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 536' ' ' HIS . . . . . . . . . . . . . 26.9 t60 -77.46 -29.19 52.64 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 115.6 -0.727 . . . . 0.68000000000000005 112.057 -176.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 537' ' ' GLN . . . . . 0.436 ' HB3' ' CE2' ' A' ' 533' ' ' TRP . 3.7 pt20 -50.28 -24.73 3.1 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 123.016 0.526 . . . . 1.8899999999999999 111.592 179.035 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 538' ' ' HIS . . . . . . . . . . . . . 30.6 m-70 -78.11 -18.68 55.37 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.474 -0.784 . . . . 0.85999999999999999 110.943 -177.307 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 539' ' ' ILE . . . . . . . . . . . . . 31.8 pt -119.99 -5.64 10.43 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.313 0 CA-C-O 120.816 0.341 . . . . 1.8999999999999999 110.777 -172.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 5.1 t -71.74 142.45 49.76 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-O 121.546 0.688 . . . . 0.62 110.218 -178.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -91.6 40.28 2.95 Favored Glycine 0 C--N 1.309 -0.961 0 CA-C-N 114.895 -1.048 . . . . 2.02 111.78 175.117 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -79.09 69.4 5.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.512 0.672 . . . . 6.7800000000000002 111.052 -177.223 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 1.8 p -100.83 -8.16 22.89 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.585 -0.734 . . . . 6.9199999999999999 109.87 174.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 544' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.894 0 CA-C-N 115.456 -0.793 . . . . 8.8300000000000001 109.956 178.545 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 503' ' ' SER . . . . . 0.626 ' HB2' ' O ' ' A' ' 508' ' ' GLY . 5.0 p . . . . . 0 N--CA 1.437 -1.082 0 N-CA-C 108.525 -0.917 . . . . 1.8600000000000001 108.525 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 504' ' ' CYS . . . . . 0.731 ' HB2' ' HB3' ' A' ' 524' ' ' CYS . 38.9 t -61.8 122.1 14.54 Favored 'General case' 0 N--CA 1.44 -0.973 0 N-CA-C 108.286 -1.005 . . . . 0.56999999999999995 108.286 171.697 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 505' ' ' VAL . . . . . 0.419 HG11 ' O ' ' A' ' 505' ' ' VAL . 14.2 t -74.27 20.58 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-O 121.86 0.838 . . . . 1.3100000000000001 109.258 176.666 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 506' ' ' ASN . . . . . 0.574 ' H ' ' C ' ' A' ' 504' ' ' CYS . 22.6 t-20 -143.01 -38.78 0.34 Allowed 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 115.717 -0.674 . . . . 1.9299999999999999 112.323 -173.66 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -136.03 -79.44 0.42 Allowed 'General case' 0 N--CA 1.464 0.245 0 C-N-CA 119.897 -0.721 . . . . 1.0 112.62 -175.84 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 508' ' ' GLY . . . . . 0.626 ' O ' ' HB2' ' A' ' 503' ' ' SER . . . -143.48 -94.49 0.19 Allowed Glycine 0 C--O 1.222 -0.605 0 C-N-CA 120.151 -1.023 . . . . 1.26 114.885 -165.281 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 509' ' ' ARG . . . . . 0.602 ' HB2' ' HB2' ' A' ' 524' ' ' CYS . 55.2 mtp180 -51.03 160.11 0.52 Allowed 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 123.92 0.888 . . . . 5.5800000000000001 113.276 -168.017 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 510' ' ' GLU . . . . . 0.579 ' HA ' ' HA ' ' A' ' 503' ' ' SER . 29.7 mt-10 -73.75 18.26 0.14 Allowed 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.081 -0.963 . . . . 2.8199999999999998 112.576 -173.085 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 511' ' ' ALA . . . . . 0.563 ' HA ' ' HA ' ' A' ' 524' ' ' CYS . . . 73.36 155.01 0.16 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.42 -0.809 . . . . 1.3700000000000001 111.647 177.262 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 84.7 mtp -92.44 -63.41 1.23 Allowed 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.085 -1.08 . . . . 2.5800000000000001 108.085 176.111 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 18.9 p -117.24 171.94 7.63 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 114.906 -1.043 . . . . 1.47 110.054 172.304 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 514' ' ' GLU . . . . . 0.559 ' HB3' ' HA ' ' A' ' 519' ' ' HIS . 49.6 mt-10 -88.89 160.99 16.92 Favored 'General case' 0 C--N 1.317 -0.816 0 N-CA-C 109.202 -0.666 . . . . 0.97999999999999998 109.202 173.059 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 515' ' ' CYS . . . . . 0.635 ' HA ' ' OE1' ' A' ' 529' ' ' GLN . 44.6 t -40.32 107.83 0.08 Allowed 'General case' 0 C--O 1.221 -0.419 0 O-C-N 124.371 1.044 . . . . 0.38 110.765 179.173 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 39.3 p -58.89 -15.89 14.88 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 113.189 0.811 . . . . 1.1000000000000001 113.189 -167.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -82.82 -10.91 82.43 Favored Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.481 -0.866 . . . . 0.44 113.226 179.441 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 518' ' ' CYS . . . . . 0.417 ' SG ' ' N ' ' A' ' 519' ' ' HIS . 28.4 p -160.87 -41.14 0.05 OUTLIER 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 117.46 0.63 . . . . 0.38 112.374 -173.599 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 519' ' ' HIS . . . . . 0.559 ' HA ' ' HB3' ' A' ' 514' ' ' GLU . 8.3 m170 71.43 31.35 2.33 Favored 'General case' 0 C--O 1.225 -0.234 0 C-N-CA 124.755 1.222 . . . . 0.38 110.202 -174.618 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -89.28 -9.23 51.36 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.492 -0.776 . . . . 2.9300000000000002 110.977 175.454 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 521' ' ' VAL . . . . . . . . . . . . . 29.3 m -147.59 178.52 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 N-CA-C 108.152 -1.055 . . . . 1.1499999999999999 108.152 -178.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 23.8 p-10 -155.72 148.61 24.29 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.251 0.548 . . . . 1.75 111.429 -177.494 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 523' ' ' TYR . . . . . 0.507 ' HB3' ' HB2' ' A' ' 528' ' ' CYS . 88.0 m-85 -138.48 145.48 40.88 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.155 -0.929 . . . . 0.89000000000000001 109.79 -179.277 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 524' ' ' CYS . . . . . 0.731 ' HB3' ' HB2' ' A' ' 504' ' ' CYS . 22.1 p -50.65 -47.34 58.59 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 121.298 0.571 . . . . 0.37 111.143 -172.717 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 525' ' ' SER . . . . . 0.569 ' HB2' ' CE2' ' A' ' 527' ' ' PHE . 49.2 m -126.6 -178.84 4.51 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.132 -0.94 . . . . 1.6799999999999999 111.094 175.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 32.1 m -68.06 -38.11 82.08 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.69 0.626 . . . . 1.26 112.69 -178.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 527' ' ' PHE . . . . . 0.569 ' CE2' ' HB2' ' A' ' 525' ' ' SER . 47.0 p90 -58.39 -39.77 80.55 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 112.345 0.498 . . . . 0.5 112.345 -170.718 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 528' ' ' CYS . . . . . 0.507 ' HB2' ' HB3' ' A' ' 523' ' ' TYR . 0.0 OUTLIER -63.95 -31.98 73.36 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.678 0.275 . . . . 0.84999999999999998 111.301 -178.026 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 529' ' ' GLN . . . . . 0.734 ' O ' ' HB3' ' A' ' 533' ' ' TRP . 15.6 tt0 -67.79 -55.35 13.34 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.604 0.716 . . . . 2.8599999999999999 109.506 -174.017 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 530' ' ' ARG . . . . . 0.618 ' O ' ' HE3' ' A' ' 534' ' ' LYS . 40.0 ptt180 -74.61 -26.23 59.77 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 114.792 -1.094 . . . . 4.5899999999999999 111.628 -174.006 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 48.0 tptt -78.35 -41.68 32.76 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.297 0.57 . . . . 3.6699999999999999 111.124 -178.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 532' ' ' ASP . . . . . 0.428 ' HB2' ' O ' ' A' ' 528' ' ' CYS . 0.7 OUTLIER -83.34 -30.76 27.21 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.602 -0.727 . . . . 2.6099999999999999 112.42 -173.274 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 533' ' ' TRP . . . . . 0.734 ' HB3' ' O ' ' A' ' 529' ' ' GLN . 0.0 OUTLIER -67.16 4.96 0.78 Allowed 'General case' 0 C--O 1.214 -0.763 0 N-CA-C 113.884 1.068 . . . . 0.68999999999999995 113.884 -165.273 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 534' ' ' LYS . . . . . 0.631 ' N ' ' HD2' ' A' ' 534' ' ' LYS . 0.0 OUTLIER -57.74 -20.42 34.6 Favored 'General case' 0 C--N 1.322 -0.59 0 O-C-N 121.162 -0.961 . . . . 2.5800000000000001 111.444 176.22 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 535' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -97.03 -23.57 16.2 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 121.775 0.798 . . . . 2.04 110.37 173.256 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 536' ' ' HIS . . . . . 0.448 ' HB3' ' HB2' ' A' ' 533' ' ' TRP . 27.0 t60 -86.43 -31.5 21.37 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 115.014 -0.993 . . . . 0.68000000000000005 112.964 -177.76 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 537' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -45.57 -24.54 0.35 Allowed 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.844 0.858 . . . . 1.8899999999999999 112.057 179.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 538' ' ' HIS . . . . . . . . . . . . . 18.3 m-70 -78.46 -21.8 48.52 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.678 -0.692 . . . . 0.85999999999999999 110.969 -178.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 539' ' ' ILE . . . . . . . . . . . . . 33.2 pt -120.59 10.3 6.31 Favored 'Isoleucine or valine' 0 C--O 1.236 0.362 0 CA-C-O 120.949 0.405 . . . . 1.8999999999999999 111.062 -173.316 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 4.3 t -83.23 119.65 24.83 Favored 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 109.395 -0.594 . . . . 0.62 109.395 179.162 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . 81.42 -47.33 3.6 Favored Glycine 0 C--N 1.32 -0.312 0 CA-C-N 115.351 -0.84 . . . . 2.02 111.278 -178.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -85.55 149.32 25.45 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 108.941 -0.763 . . . . 6.7800000000000002 108.941 178.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 66.6 m -117.15 -41.18 3.02 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-O 120.584 0.231 . . . . 6.9199999999999999 110.823 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 544' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.254 0 CA-C-O 118.662 -0.685 . . . . 8.8300000000000001 110.117 178.634 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 503' ' ' SER . . . . . 0.524 ' HB2' ' O ' ' A' ' 508' ' ' GLY . 1.0 OUTLIER . . . . . 0 N--CA 1.442 -0.829 0 N-CA-C 108.833 -0.803 . . . . 1.8600000000000001 108.833 . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 504' ' ' CYS . . . . . 0.83 ' HB2' ' HB3' ' A' ' 524' ' ' CYS . 45.8 t -87.69 146.9 25.48 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 108.355 -0.979 . . . . 0.56999999999999995 108.355 166.27 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 505' ' ' VAL . . . . . 0.477 HG13 ' O ' ' A' ' 505' ' ' VAL . 43.1 t -85.78 9.84 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-O 121.603 0.716 . . . . 1.3100000000000001 109.557 178.342 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 506' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -142.45 -31.45 0.52 Allowed 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 112.81 0.67 . . . . 1.9299999999999999 112.81 176.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 507' ' ' CYS . . . . . 0.461 ' HB2' ' H ' ' A' ' 508' ' ' GLY . 0.0 OUTLIER -139.26 -99.77 0.16 Allowed 'General case' 0 N--CA 1.47 0.569 0 O-C-N 121.051 -1.031 . . . . 1.0 113.751 -175.307 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 508' ' ' GLY . . . . . 0.524 ' O ' ' HB2' ' A' ' 503' ' ' SER . . . -115.57 -99.77 2.23 Favored Glycine 0 C--O 1.218 -0.89 0 C-N-CA 120.751 -0.737 . . . . 1.26 114.914 -163.307 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 509' ' ' ARG . . . . . 0.916 ' HB2' ' HB2' ' A' ' 524' ' ' CYS . 0.0 OUTLIER -36.38 151.65 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.964 1.306 . . . . 5.5800000000000001 113.641 -173.897 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -68.71 21.37 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 114.759 -1.11 . . . . 2.8199999999999998 112.935 -175.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 511' ' ' ALA . . . . . 0.513 ' H ' ' C ' ' A' ' 509' ' ' ARG . . . 70.41 120.65 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.215 0 O-C-N 123.904 0.753 . . . . 1.3700000000000001 111.058 -175.073 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 91.3 mtp -86.28 -60.73 1.92 Allowed 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.801 -0.815 . . . . 2.5800000000000001 108.801 -178.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 5.3 p -117.63 155.14 30.39 Favored 'General case' 0 N--CA 1.443 -0.821 0 CA-C-N 115.527 -0.761 . . . . 1.47 110.757 172.414 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 514' ' ' GLU . . . . . 0.571 ' HB2' ' HB3' ' A' ' 519' ' ' HIS . 34.5 mt-10 -90.9 152.72 20.62 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 115.22 -0.9 . . . . 0.97999999999999998 109.622 176.212 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 41.7 t -38.84 106.77 0.06 Allowed 'General case' 0 N--CA 1.469 0.52 0 O-C-N 124.347 1.029 . . . . 0.38 112.009 -176.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 19.1 p -47.51 -31.12 3.99 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 114.522 1.304 . . . . 1.1000000000000001 114.522 -168.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -77.66 -6.64 87.03 Favored Glycine 0 CA--C 1.521 0.462 0 C-N-CA 120.504 -0.855 . . . . 0.44 113.418 -177.035 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 518' ' ' CYS . . . . . 0.49 ' SG ' ' N ' ' A' ' 519' ' ' HIS . 30.7 p -158.44 -48.32 0.06 Allowed 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 117.485 0.643 . . . . 0.38 111.668 -175.23 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 519' ' ' HIS . . . . . 0.571 ' HB3' ' HB2' ' A' ' 514' ' ' GLU . 5.6 m170 72.1 33.82 1.53 Allowed 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 125.131 1.372 . . . . 0.38 109.607 -173.287 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 520' ' ' LYS . . . . . 0.497 ' HE2' ' HB2' ' A' ' 543' ' ' SER . 57.6 mttp -98.74 -0.76 42.08 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.494 -0.775 . . . . 2.9300000000000002 111.712 176.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 521' ' ' VAL . . . . . . . . . . . . . 26.8 m -139.08 165.37 23.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 107.35 -1.352 . . . . 1.1499999999999999 107.35 173.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 522' ' ' ASN . . . . . 0.495 ' HB3' ' HG2' ' A' ' 514' ' ' GLU . 9.5 p30 -151.34 119.81 6.45 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.873 0.844 . . . . 1.75 112.134 -175.059 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 523' ' ' TYR . . . . . 0.594 ' HB2' ' HB2' ' A' ' 529' ' ' GLN . 10.3 m-85 -123.38 156.29 35.71 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 114.978 -1.01 . . . . 0.89000000000000001 109.115 177.557 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 524' ' ' CYS . . . . . 0.916 ' HB2' ' HB2' ' A' ' 509' ' ' ARG . 22.8 p -51.6 -49.03 62.95 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 121.144 0.497 . . . . 0.37 111.26 -174.516 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 525' ' ' SER . . . . . 0.41 ' HB2' ' CE2' ' A' ' 527' ' ' PHE . 5.4 m -126.25 -178.01 4.17 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.348 -0.842 . . . . 1.6799999999999999 111.227 -177.814 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 22.8 m -70.54 -39.77 73.83 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.523 -0.308 . . . . 1.26 111.646 179.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 527' ' ' PHE . . . . . 0.41 ' CE2' ' HB2' ' A' ' 525' ' ' SER . 26.8 p90 -58.09 -49.01 78.43 Favored 'General case' 0 N--CA 1.463 0.196 0 N-CA-C 112.739 0.644 . . . . 0.5 112.739 -170.522 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 528' ' ' CYS . . . . . 0.422 ' SG ' ' HB3' ' A' ' 523' ' ' TYR . 0.8 OUTLIER -70.39 -35.18 73.32 Favored 'General case' 0 N--CA 1.438 -1.059 0 CA-C-O 121.326 0.584 . . . . 0.84999999999999998 111.203 -175.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 529' ' ' GLN . . . . . 0.666 ' O ' ' HB3' ' A' ' 533' ' ' TRP . 4.7 tt0 -67.73 -37.51 82.3 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.318 -0.856 . . . . 2.8599999999999999 109.372 -177.715 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 530' ' ' ARG . . . . . 0.465 ' HA ' ' HD3' ' A' ' 530' ' ' ARG . 19.9 mmt-85 -78.62 -34.16 46.84 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.206 -0.906 . . . . 4.5899999999999999 112.863 176.478 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 531' ' ' LYS . . . . . 0.435 ' O ' ' HG2' ' A' ' 534' ' ' LYS . 43.6 mmtm -71.7 -45.57 61.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 122.002 -0.436 . . . . 3.6699999999999999 111.415 -178.519 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 532' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -82.06 -8.96 59.69 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.03 -0.532 . . . . 2.6099999999999999 112.178 -175.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 533' ' ' TRP . . . . . 0.666 ' HB3' ' O ' ' A' ' 529' ' ' GLN . 0.0 OUTLIER -74.27 4.64 5.45 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.418 -0.356 . . . . 0.68999999999999995 111.696 -176.435 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 534' ' ' LYS . . . . . 0.7 ' HE2' ' HA ' ' A' ' 534' ' ' LYS . 9.7 mmpt? -52.12 -29.4 21.68 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 120.837 0.351 . . . . 2.5800000000000001 111.523 -179.172 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 535' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -93.65 -22.72 18.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.699 0.762 . . . . 2.04 110.388 175.279 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 536' ' ' HIS . . . . . . . . . . . . . 59.8 t60 -87.0 -25.92 24.03 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 115.483 -0.781 . . . . 0.68000000000000005 112.193 -173.535 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 537' ' ' GLN . . . . . 0.603 ' HB3' ' CE2' ' A' ' 533' ' ' TRP . 3.9 pt20 -54.53 -23.24 15.67 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 121.548 0.69 . . . . 1.8899999999999999 110.737 178.656 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 538' ' ' HIS . . . . . . . . . . . . . 26.9 m-70 -76.49 -16.48 59.64 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.794 -1.094 . . . . 0.85999999999999999 111.505 -178.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 539' ' ' ILE . . . . . . . . . . . . . 15.4 tt -121.35 -10.53 9.34 Favored 'Isoleucine or valine' 0 C--O 1.233 0.197 0 CA-C-O 121.29 0.567 . . . . 1.8999999999999999 110.852 -174.002 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 1.8 t -69.99 139.63 52.8 Favored 'General case' 0 N--CA 1.446 -0.655 0 C-N-CA 119.871 -0.732 . . . . 0.62 109.817 179.328 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . 93.2 -7.41 75.86 Favored Glycine 0 C--N 1.314 -0.639 0 CA-C-N 114.786 -1.097 . . . . 2.02 111.981 -179.194 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -100.62 154.05 18.9 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 110.379 -0.23 . . . . 6.7800000000000002 110.379 -178.201 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 543' ' ' SER . . . . . 0.497 ' HB2' ' HE2' ' A' ' 520' ' ' LYS . 14.8 m 58.88 39.45 23.84 Favored 'General case' 0 C--N 1.329 -0.325 0 O-C-N 123.717 0.636 . . . . 6.9199999999999999 110.95 179.053 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 544' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.837 0 CA-C-O 118.725 -0.655 . . . . 8.8300000000000001 110.33 -179.923 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 503' ' ' SER . . . . . 0.733 ' HB3' ' HA ' ' A' ' 510' ' ' GLU . 33.6 m . . . . . 0 N--CA 1.449 -0.509 0 N-CA-C 108.795 -0.817 . . . . 1.8600000000000001 108.795 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 504' ' ' CYS . . . . . 0.734 ' HB2' ' HB3' ' A' ' 524' ' ' CYS . 42.8 t -80.96 121.05 25.54 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 107.914 -1.143 . . . . 0.56999999999999995 107.914 164.627 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 505' ' ' VAL . . . . . 0.751 ' HB ' ' CE1' ' A' ' 523' ' ' TYR . 43.8 t -68.13 -4.24 3.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 121.482 0.658 . . . . 1.3100000000000001 109.803 177.564 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 506' ' ' ASN . . . . . 0.474 ' HB3' ' HB3' ' A' ' 528' ' ' CYS . 6.8 t30 -113.31 -44.19 3.27 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 115.95 -0.568 . . . . 1.9299999999999999 111.886 -179.169 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -133.48 -82.36 0.47 Allowed 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 113.175 0.805 . . . . 1.0 113.175 -173.095 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 508' ' ' GLY . . . . . 0.462 ' N ' ' HB3' ' A' ' 504' ' ' CYS . . . -140.65 -102.03 0.48 Allowed Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.59 -0.814 . . . . 1.26 114.91 -165.25 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 509' ' ' ARG . . . . . 0.78 ' HB3' ' HB2' ' A' ' 524' ' ' CYS . 19.8 tpp180 -35.55 142.67 0.06 Allowed 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.754 1.222 . . . . 5.5800000000000001 112.759 -172.759 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 510' ' ' GLU . . . . . 0.733 ' HA ' ' HB3' ' A' ' 503' ' ' SER . 1.6 pm0 -68.84 20.13 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 113.702 1.001 . . . . 2.8199999999999998 113.702 -170.356 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 511' ' ' ALA . . . . . 0.559 ' CB ' ' HB2' ' A' ' 522' ' ' ASN . . . 73.85 137.64 0.06 Allowed 'General case' 0 CA--C 1.518 -0.279 0 C-N-CA 123.723 0.809 . . . . 1.3700000000000001 111.72 177.804 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 64.6 mtt -89.26 -49.09 6.93 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.468 -0.938 . . . . 2.5800000000000001 108.468 176.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 73.6 m -118.37 160.46 21.64 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.569 -0.741 . . . . 1.47 110.084 168.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 514' ' ' GLU . . . . . 0.431 ' HB3' ' HA ' ' A' ' 519' ' ' HIS . 40.1 mt-10 -88.09 160.31 17.86 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.486 -0.931 . . . . 0.97999999999999998 108.486 170.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 38.4 t -40.69 112.53 0.3 Allowed 'General case' 0 N--CA 1.47 0.558 0 O-C-N 123.903 0.752 . . . . 0.38 111.155 -176.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 24.9 p -64.12 0.13 1.02 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 114.008 1.114 . . . . 1.1000000000000001 114.008 -166.353 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -103.03 -12.27 32.18 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.16 -1.019 . . . . 0.44 112.714 177.25 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 518' ' ' CYS . . . . . 0.985 ' HB2' ' HD3' ' A' ' 520' ' ' LYS . 31.2 p -152.96 -39.65 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.148 0.499 . . . . 0.38 111.727 -174.447 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 519' ' ' HIS . . . . . 0.431 ' HA ' ' HB3' ' A' ' 514' ' ' GLU . 6.1 m170 62.03 36.49 15.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.237 -0.892 . . . . 0.38 109.408 -172.725 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 520' ' ' LYS . . . . . 0.985 ' HD3' ' HB2' ' A' ' 518' ' ' CYS . 4.9 mptp? -91.07 -12.66 34.99 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.683 -0.689 . . . . 2.9300000000000002 110.534 174.076 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 521' ' ' VAL . . . . . . . . . . . . . 16.1 m -146.92 163.64 7.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 N-CA-C 106.948 -1.501 . . . . 1.1499999999999999 106.948 -177.35 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 522' ' ' ASN . . . . . 0.559 ' HB2' ' CB ' ' A' ' 511' ' ' ALA . 22.0 p-10 -140.08 147.15 39.87 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.324 0.583 . . . . 1.75 111.498 -175.58 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 523' ' ' TYR . . . . . 0.833 ' HB3' ' HB2' ' A' ' 528' ' ' CYS . 97.0 m-85 -140.81 141.99 34.69 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 115.366 -0.834 . . . . 0.89000000000000001 110.744 -176.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 524' ' ' CYS . . . . . 0.78 ' HB2' ' HB3' ' A' ' 509' ' ' ARG . 14.8 p -52.03 -45.55 64.69 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-O 121.102 0.477 . . . . 0.37 110.758 -173.47 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 525' ' ' SER . . . . . 0.402 ' HB2' ' CE2' ' A' ' 527' ' ' PHE . 6.2 m -124.96 -179.28 4.48 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.265 -0.88 . . . . 1.6799999999999999 111.314 -177.222 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 91.1 m -72.38 -41.84 65.9 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.382 0.512 . . . . 1.26 112.382 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 527' ' ' PHE . . . . . 0.402 ' CE2' ' HB2' ' A' ' 525' ' ' SER . 48.8 p90 -58.21 -36.56 73.31 Favored 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 111.712 0.264 . . . . 0.5 111.712 -174.68 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 528' ' ' CYS . . . . . 0.833 ' HB2' ' HB3' ' A' ' 523' ' ' TYR . 0.0 OUTLIER -60.68 -41.35 94.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.962 0.411 . . . . 0.84999999999999998 110.75 179.492 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 529' ' ' GLN . . . . . 0.457 ' O ' ' HB3' ' A' ' 533' ' ' TRP . 36.0 tt0 -63.59 -41.48 98.35 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.305 -0.861 . . . . 2.8599999999999999 109.246 -177.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 19.2 mmm180 -74.32 -45.62 46.2 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.172 -0.922 . . . . 4.5899999999999999 111.731 -176.281 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? -56.44 -51.49 68.21 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 121.101 0.476 . . . . 3.6699999999999999 111.202 -178.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 532' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -64.61 -34.3 77.95 Favored 'General case' 0 CA--C 1.506 -0.747 0 CA-C-N 115.485 -0.78 . . . . 2.6099999999999999 111.504 -179.289 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 533' ' ' TRP . . . . . 1.01 ' HA ' ' HB3' ' A' ' 536' ' ' HIS . 0.0 OUTLIER -68.56 -9.23 48.09 Favored 'General case' 0 N--CA 1.434 -1.25 0 CA-C-N 115.292 -0.867 . . . . 0.68999999999999995 111.823 -166.42 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 28.4 mmtp -60.6 -26.28 66.86 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.572 0.701 . . . . 2.5800000000000001 109.126 175.662 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 535' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -99.81 -42.0 7.01 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 114.821 -1.081 . . . . 2.04 109.485 171.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 536' ' ' HIS . . . . . 1.01 ' HB3' ' HA ' ' A' ' 533' ' ' TRP . 50.0 t60 -62.7 -28.98 70.32 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 115.073 -0.967 . . . . 0.68000000000000005 113.073 -177.585 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 537' ' ' GLN . . . . . 0.409 ' HB3' ' CE2' ' A' ' 533' ' ' TRP . 3.7 pt20 -48.19 -28.57 3.07 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.086 0.555 . . . . 1.8899999999999999 111.995 178.762 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 538' ' ' HIS . . . . . . . . . . . . . 70.4 m-70 -73.81 -16.59 61.15 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.123 -0.49 . . . . 0.85999999999999999 111.237 -178.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 539' ' ' ILE . . . . . . . . . . . . . 31.1 pt -120.42 -5.58 10.11 Favored 'Isoleucine or valine' 0 C--O 1.232 0.159 0 C-N-CA 120.966 -0.293 . . . . 1.8999999999999999 111.372 -176.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 2.0 t -73.97 120.5 19.64 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 109.081 -0.711 . . . . 0.62 109.081 177.263 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . 77.41 20.96 73.86 Favored Glycine 0 C--N 1.316 -0.552 0 C-N-CA 120.619 -0.8 . . . . 2.02 111.511 -178.069 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -52.64 108.33 0.3 Allowed 'General case' 0 C--O 1.233 0.208 0 C-N-CA 123.074 0.55 . . . . 6.7800000000000002 110.767 179.345 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 5.9 p -147.63 146.6 29.41 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.864 -0.607 . . . . 6.9199999999999999 110.997 -176.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 544' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.696 -0.668 . . . . 8.8300000000000001 110.062 178.286 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 503' ' ' SER . . . . . 0.47 ' HB2' ' O ' ' A' ' 509' ' ' ARG . 22.8 p . . . . . 0 N--CA 1.44 -0.94 0 N-CA-C 109.842 -0.429 . . . . 1.8600000000000001 109.842 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 504' ' ' CYS . . . . . 0.764 ' HB2' ' HB3' ' A' ' 524' ' ' CYS . 35.9 t -52.74 132.75 36.77 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 109.016 -0.735 . . . . 0.56999999999999995 109.016 174.121 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 505' ' ' VAL . . . . . 0.428 HG11 ' O ' ' A' ' 505' ' ' VAL . 14.1 t -77.62 20.26 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-O 121.825 0.821 . . . . 1.3100000000000001 109.374 178.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 506' ' ' ASN . . . . . 0.821 HD21 ' HB3' ' A' ' 528' ' ' CYS . 43.5 t30 -148.76 -37.73 0.17 Allowed 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 115.595 -0.729 . . . . 1.9299999999999999 112.669 -176.213 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 507' ' ' CYS . . . . . 0.445 ' HB2' ' H ' ' A' ' 508' ' ' GLY . 0.0 OUTLIER -134.95 -96.23 0.26 Allowed 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 113.772 1.027 . . . . 1.0 113.772 -175.474 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 508' ' ' GLY . . . . . 0.445 ' H ' ' HB2' ' A' ' 507' ' ' CYS . . . -124.42 -86.71 0.71 Allowed Glycine 0 C--N 1.335 0.478 0 N-CA-C 115.488 0.955 . . . . 1.26 115.488 -162.329 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 509' ' ' ARG . . . . . 0.722 ' HB2' ' HB2' ' A' ' 524' ' ' CYS . 58.1 mtt85 -47.38 156.16 0.29 Allowed 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 123.837 0.855 . . . . 5.5800000000000001 112.492 -171.623 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 510' ' ' GLU . . . . . 0.476 ' CD ' ' H ' ' A' ' 510' ' ' GLU . 1.3 pm0 -77.32 19.95 0.31 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.294 -0.867 . . . . 2.8199999999999998 111.209 -179.247 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 511' ' ' ALA . . . . . 0.584 ' HB2' HD21 ' A' ' 522' ' ' ASN . . . 77.35 146.19 0.09 Allowed 'General case' 0 CA--C 1.52 -0.188 0 C-N-CA 123.963 0.905 . . . . 1.3700000000000001 112.115 174.692 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 46.9 mtt -92.36 -63.7 1.2 Allowed 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.127 -1.064 . . . . 2.5800000000000001 108.127 176.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 6.6 p -117.84 172.54 7.31 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.181 -0.918 . . . . 1.47 110.428 172.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 514' ' ' GLU . . . . . 0.438 ' HB3' ' HA ' ' A' ' 519' ' ' HIS . 29.9 mt-10 -88.72 154.99 19.85 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 108.377 -0.971 . . . . 0.97999999999999998 108.377 171.352 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 16.7 t -41.45 112.34 0.3 Allowed 'General case' 0 N--CA 1.47 0.557 0 O-C-N 123.517 0.511 . . . . 0.38 110.423 178.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 73.9 p -65.42 -4.36 5.58 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 112.671 0.619 . . . . 1.1000000000000001 112.671 -169.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -89.66 -14.65 59.42 Favored Glycine 0 N--CA 1.443 -0.868 0 C-N-CA 120.528 -0.844 . . . . 0.44 112.396 177.528 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 518' ' ' CYS . . . . . 0.518 ' HB2' ' HG3' ' A' ' 520' ' ' LYS . 30.1 p -156.95 -37.15 0.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.317 0.58 . . . . 0.38 112.16 -175.621 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 519' ' ' HIS . . . . . 0.438 ' HA ' ' HB3' ' A' ' 514' ' ' GLU . 10.4 m170 67.96 25.0 7.78 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 114.552 -1.204 . . . . 0.38 110.148 -173.489 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 520' ' ' LYS . . . . . 0.518 ' HG3' ' HB2' ' A' ' 518' ' ' CYS . 7.4 mtpm? -84.99 -10.37 57.1 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 115.861 -0.608 . . . . 2.9300000000000002 110.781 178.733 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 521' ' ' VAL . . . . . . . . . . . . . 28.4 m -148.43 173.8 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 107.604 -1.258 . . . . 1.1499999999999999 107.604 -178.053 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 522' ' ' ASN . . . . . 0.584 HD21 ' HB2' ' A' ' 511' ' ' ALA . 3.6 p-10 -146.34 150.12 35.1 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 120.66 -0.416 . . . . 1.75 111.134 -177.069 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 523' ' ' TYR . . . . . 0.495 ' CD2' ' HB2' ' A' ' 528' ' ' CYS . 93.7 m-85 -136.23 148.51 48.09 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.864 -0.607 . . . . 0.89000000000000001 110.181 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 524' ' ' CYS . . . . . 0.764 ' HB3' ' HB2' ' A' ' 504' ' ' CYS . 20.3 p -57.09 -47.41 81.09 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.151 0.501 . . . . 0.37 111.062 -176.189 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 525' ' ' SER . . . . . 0.404 ' HB3' ' CE2' ' A' ' 527' ' ' PHE . 23.1 t -126.5 -177.93 4.17 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.524 -0.762 . . . . 1.6799999999999999 110.495 179.463 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 21.9 m -70.59 -37.67 73.93 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.241 0.46 . . . . 1.26 112.241 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 527' ' ' PHE . . . . . 0.404 ' CE2' ' HB3' ' A' ' 525' ' ' SER . 32.1 p90 -58.59 -42.54 88.31 Favored 'General case' 0 N--CA 1.462 0.153 0 N-CA-C 112.451 0.537 . . . . 0.5 112.451 -171.379 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 528' ' ' CYS . . . . . 0.821 ' HB3' HD21 ' A' ' 506' ' ' ASN . 0.0 OUTLIER -65.99 -35.06 79.54 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-O 121.133 0.492 . . . . 0.84999999999999998 110.847 -179.516 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 529' ' ' GLN . . . . . 0.594 ' O ' ' HB3' ' A' ' 533' ' ' TRP . 8.5 tt0 -63.37 -43.24 98.21 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 115.487 -0.779 . . . . 2.8599999999999999 109.495 -175.763 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 530' ' ' ARG . . . . . 0.496 ' HA ' ' HD3' ' A' ' 530' ' ' ARG . 11.4 mmt180 -77.15 -46.39 23.57 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.476 -0.784 . . . . 4.5899999999999999 112.323 178.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 48.9 mtpt -56.99 -57.39 12.76 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 121.349 0.595 . . . . 3.6699999999999999 111.374 -178.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 532' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.57 -24.12 67.01 Favored 'General case' 0 CA--C 1.508 -0.642 0 CA-C-N 115.389 -0.823 . . . . 2.6099999999999999 112.23 -176.159 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 533' ' ' TRP . . . . . 1.049 ' HA ' ' HB3' ' A' ' 536' ' ' HIS . 0.0 OUTLIER -73.55 -6.27 45.47 Favored 'General case' 0 N--CA 1.436 -1.133 0 CA-C-N 115.944 -0.571 . . . . 0.68999999999999995 110.761 -175.864 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 534' ' ' LYS . . . . . 0.572 ' HE2' ' HA ' ' A' ' 534' ' ' LYS . 11.0 mmmm -67.56 -16.13 64.02 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 119.131 -1.028 . . . . 2.5800000000000001 109.513 175.103 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 535' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -104.78 -40.46 5.96 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 114.747 -1.115 . . . . 2.04 109.744 167.145 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 536' ' ' HIS . . . . . 1.049 ' HB3' ' HA ' ' A' ' 533' ' ' TRP . 28.5 t60 -62.73 -26.38 68.66 Favored 'General case' 0 CA--C 1.55 0.954 0 N-CA-C 113.233 0.827 . . . . 0.68000000000000005 113.233 -179.441 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 537' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -45.65 -29.11 1.14 Allowed 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 122.946 0.498 . . . . 1.8899999999999999 111.596 176.32 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 538' ' ' HIS . . . . . . . . . . . . . 20.4 m-70 -70.23 -24.99 63.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.894 -0.594 . . . . 0.85999999999999999 111.668 -179.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 539' ' ' ILE . . . . . . . . . . . . . 28.4 pt -119.79 4.54 6.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 120.78 0.324 . . . . 1.8999999999999999 111.081 -170.192 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 3.4 t -78.46 125.51 29.47 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 109.5 -0.556 . . . . 0.62 109.5 179.104 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -61.85 -17.02 53.74 Favored Glycine 0 CA--C 1.521 0.436 0 CA-C-N 115.044 -0.98 . . . . 2.02 113.248 179.257 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 21.3 tp60 60.84 48.3 6.99 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-O 121.388 0.613 . . . . 6.7800000000000002 110.738 177.26 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 49.4 m 57.52 69.15 0.76 Allowed 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.28 -0.873 . . . . 6.9199999999999999 112.044 176.342 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 544' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.656 -0.688 . . . . 8.8300000000000001 109.643 177.121 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 503' ' ' SER . . . . . 0.652 ' HB2' ' O ' ' A' ' 509' ' ' ARG . 32.2 p . . . . . 0 N--CA 1.444 -0.734 0 CA-C-O 120.82 0.343 . . . . 1.8600000000000001 110.078 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 504' ' ' CYS . . . . . 0.91 ' HB2' ' HB3' ' A' ' 524' ' ' CYS . 45.4 t -92.91 132.17 37.27 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 108.524 -0.917 . . . . 0.56999999999999995 108.524 171.379 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 505' ' ' VAL . . . . . 0.553 ' HB ' ' CE1' ' A' ' 523' ' ' TYR . 2.7 t -80.86 12.18 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 121.324 0.583 . . . . 1.3100000000000001 109.71 178.193 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 506' ' ' ASN . . . . . 0.474 ' HB3' ' HB3' ' A' ' 528' ' ' CYS . 11.8 t-20 -131.89 -39.12 1.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 1.9299999999999999 111.214 -178.438 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 507' ' ' CYS . . . . . 0.515 ' HB2' ' H ' ' A' ' 508' ' ' GLY . 0.6 OUTLIER -122.14 -96.33 0.47 Allowed 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.456 -0.572 . . . . 1.0 109.456 176.354 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 508' ' ' GLY . . . . . 0.515 ' H ' ' HB2' ' A' ' 507' ' ' CYS . . . 162.74 52.58 0.02 OUTLIER Glycine 0 N--CA 1.443 -0.862 0 C-N-CA 120.19 -1.005 . . . . 1.26 114.567 171.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 509' ' ' ARG . . . . . 1.098 ' HB3' ' HB2' ' A' ' 524' ' ' CYS . 1.6 tpt180 -104.77 159.86 15.44 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 106.244 -1.762 . . . . 5.5800000000000001 106.244 161.499 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -64.2 10.87 0.05 Allowed 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 115.593 1.701 . . . . 2.8199999999999998 115.593 -162.137 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 511' ' ' ALA . . . . . 0.558 ' HA ' ' HA ' ' A' ' 524' ' ' CYS . . . 67.83 142.28 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 121.619 0.724 . . . . 1.3700000000000001 111.877 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 81.2 mtp -114.43 -66.77 1.05 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.058 -0.519 . . . . 2.5800000000000001 109.843 179.014 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 7.2 p -117.52 172.52 7.28 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.668 0.747 . . . . 1.47 111.177 175.045 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 514' ' ' GLU . . . . . 0.502 ' HB3' ' HA ' ' A' ' 519' ' ' HIS . 29.2 mt-10 -98.22 154.01 18.08 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 114.65 -1.159 . . . . 0.97999999999999998 110.024 179.257 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 12.0 t -41.73 112.9 0.36 Allowed 'General case' 0 N--CA 1.468 0.439 0 O-C-N 123.829 0.706 . . . . 0.38 111.13 178.063 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 18.6 p -66.53 5.35 0.6 Allowed 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 113.167 0.803 . . . . 1.1000000000000001 113.167 -172.142 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -97.58 -15.34 37.76 Favored Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 120.56 -0.829 . . . . 0.44 112.249 175.374 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 518' ' ' CYS . . . . . 0.4 ' HB2' ' HG3' ' A' ' 520' ' ' LYS . 30.2 p -157.03 -34.73 0.08 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.52 0.676 . . . . 0.38 112.07 -174.471 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 519' ' ' HIS . . . . . 0.502 ' HA ' ' HB3' ' A' ' 514' ' ' GLU . 9.4 m170 60.9 32.06 20.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 114.628 -1.169 . . . . 0.38 109.926 -171.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 520' ' ' LYS . . . . . 0.4 ' HG3' ' HB2' ' A' ' 518' ' ' CYS . 61.9 mtpt -90.07 -10.22 45.56 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.714 -0.676 . . . . 2.9300000000000002 110.366 177.333 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 521' ' ' VAL . . . . . . . . . . . . . 27.0 m -145.57 167.18 9.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 107.117 -1.438 . . . . 1.1499999999999999 107.117 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 522' ' ' ASN . . . . . 0.463 ' O ' HG22 ' A' ' 505' ' ' VAL . 8.5 p30 -144.76 150.83 37.9 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 120.88 0.371 . . . . 1.75 110.661 -177.493 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 523' ' ' TYR . . . . . 0.648 ' HB3' ' HB2' ' A' ' 528' ' ' CYS . 87.5 m-85 -137.54 157.99 45.34 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.961 -0.563 . . . . 0.89000000000000001 110.651 -176.473 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 524' ' ' CYS . . . . . 1.098 ' HB2' ' HB3' ' A' ' 509' ' ' ARG . 13.0 p -64.39 -42.18 96.27 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.427 0.632 . . . . 0.37 110.597 -175.32 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 17.3 m -126.77 177.33 6.64 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.14 -0.937 . . . . 1.6799999999999999 111.234 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 13.4 m -71.03 -41.51 70.74 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.276 0.473 . . . . 1.26 112.276 177.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 527' ' ' PHE . . . . . . . . . . . . . 45.2 p90 -58.9 -33.86 71.02 Favored 'General case' 0 C--N 1.333 -0.113 0 C-N-CA 120.993 -0.283 . . . . 0.5 111.416 -175.164 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 528' ' ' CYS . . . . . 0.648 ' HB2' ' HB3' ' A' ' 523' ' ' TYR . 0.5 OUTLIER -60.69 -41.4 95.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.804 0.335 . . . . 0.84999999999999998 110.936 177.939 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 529' ' ' GLN . . . . . 0.541 ' O ' ' HB3' ' A' ' 533' ' ' TRP . 37.3 tt0 -60.77 -43.23 98.31 Favored 'General case' 0 C--O 1.218 -0.561 0 N-CA-C 108.819 -0.808 . . . . 2.8599999999999999 108.819 -177.248 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 66.9 mtp180 -74.69 -46.82 35.27 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.024 -0.989 . . . . 4.5899999999999999 111.679 -178.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -59.48 -55.24 37.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.836 -0.62 . . . . 3.6699999999999999 111.182 -177.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 532' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -63.17 -33.35 75.27 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.097 -0.956 . . . . 2.6099999999999999 111.67 -178.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 533' ' ' TRP . . . . . 1.045 ' HA ' ' HB3' ' A' ' 536' ' ' HIS . 0.0 OUTLIER -63.89 -10.01 18.41 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.277 -0.874 . . . . 0.68999999999999995 112.321 -168.299 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 534' ' ' LYS . . . . . 0.489 ' HA ' ' HD3' ' A' ' 534' ' ' LYS . 58.8 mmtt -63.15 -20.07 65.06 Favored 'General case' 0 C--N 1.319 -0.743 0 O-C-N 121.277 -0.889 . . . . 2.5800000000000001 109.463 174.685 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 535' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -99.81 -44.83 5.94 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.141 -0.936 . . . . 2.04 109.473 169.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 536' ' ' HIS . . . . . 1.045 ' HB3' ' HA ' ' A' ' 533' ' ' TRP . 58.2 t60 -61.49 -31.75 71.74 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 113.823 1.045 . . . . 0.68000000000000005 113.823 -178.247 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 537' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -46.58 -31.39 2.78 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.224 0.609 . . . . 1.8899999999999999 112.176 -178.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 538' ' ' HIS . . . . . . . . . . . . . 51.9 m-70 -72.12 -16.65 62.0 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.94 -0.573 . . . . 0.85999999999999999 111.548 -177.21 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 539' ' ' ILE . . . . . . . . . . . . . 27.1 pt -120.46 0.32 7.51 Favored 'Isoleucine or valine' 0 C--O 1.237 0.407 0 C-N-CA 120.761 -0.375 . . . . 1.8999999999999999 111.682 -175.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 4.1 t -78.74 119.82 22.5 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-O 121.17 0.51 . . . . 0.62 109.962 -179.229 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . 87.18 -46.25 3.51 Favored Glycine 0 C--N 1.318 -0.427 0 CA-C-N 115.497 -0.774 . . . . 2.02 111.961 178.245 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -66.65 101.92 0.85 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.821 0.344 . . . . 6.7800000000000002 110.499 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 9.1 m -139.74 138.25 35.78 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.144 -0.48 . . . . 6.9199999999999999 110.382 -177.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 544' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.957 0 CA-C-O 118.646 -0.692 . . . . 8.8300000000000001 110.29 178.69 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 503' ' ' SER . . . . . 0.555 ' HA ' ' HA ' ' A' ' 510' ' ' GLU . 67.4 m . . . . . 0 N--CA 1.44 -0.974 0 N-CA-C 105.734 -1.95 . . . . 1.8600000000000001 105.734 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 504' ' ' CYS . . . . . 0.795 ' HB2' ' HB3' ' A' ' 524' ' ' CYS . 46.4 t -53.04 111.35 0.66 Allowed 'General case' 0 N--CA 1.441 -0.913 0 C-N-CA 118.764 -1.174 . . . . 0.56999999999999995 108.612 167.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 39.9 t -67.6 -4.42 2.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-O 121.711 0.767 . . . . 1.3100000000000001 109.277 178.452 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 506' ' ' ASN . . . . . 0.43 ' HB3' ' SG ' ' A' ' 504' ' ' CYS . 6.5 t30 -106.7 -43.03 4.81 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.422 -0.808 . . . . 1.9299999999999999 111.843 -176.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -138.18 -82.44 0.32 Allowed 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 113.981 1.104 . . . . 1.0 113.981 -176.719 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 508' ' ' GLY . . . . . . . . . . . . . . . -117.2 -112.39 2.64 Favored Glycine 0 C--N 1.335 0.493 0 N-CA-C 116.105 1.202 . . . . 1.26 116.105 -159.355 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 509' ' ' ARG . . . . . 0.418 HH11 ' HD3' ' A' ' 509' ' ' ARG . 0.0 OUTLIER -66.66 -178.77 0.75 Allowed 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 114.747 -0.726 . . . . 5.5800000000000001 111.858 -169.918 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 510' ' ' GLU . . . . . 0.555 ' HA ' ' HA ' ' A' ' 503' ' ' SER . 8.6 pt-20 -56.98 -50.34 72.98 Favored 'General case' 0 N--CA 1.462 0.16 0 N-CA-C 112.131 0.419 . . . . 2.8199999999999998 112.131 -167.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 511' ' ' ALA . . . . . 0.53 ' HB1' ' O ' ' A' ' 510' ' ' GLU . . . 161.15 166.37 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 123.782 0.676 . . . . 1.3700000000000001 111.161 -178.359 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 67.2 mtt -105.04 -61.68 1.44 Allowed 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 107.838 -1.171 . . . . 2.5800000000000001 107.838 164.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 19.6 m -118.8 170.92 8.59 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.403 -0.817 . . . . 1.47 110.389 172.018 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 514' ' ' GLU . . . . . 0.541 ' HG2' ' HB3' ' A' ' 522' ' ' ASN . 36.5 mt-10 -101.84 156.95 17.2 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 108.57 -0.9 . . . . 0.97999999999999998 108.57 171.404 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 515' ' ' CYS . . . . . 0.416 ' HB2' HG22 ' A' ' 521' ' ' VAL . 35.8 t -39.16 108.87 0.09 Allowed 'General case' 0 C--O 1.217 -0.635 0 O-C-N 124.012 0.82 . . . . 0.38 111.347 -176.189 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 32.9 p -63.15 1.23 0.49 Allowed 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.345 0.869 . . . . 1.1000000000000001 113.345 -169.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -99.32 -11.99 43.39 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.684 -0.77 . . . . 0.44 113.03 176.091 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 24.8 p -161.52 -34.75 0.05 OUTLIER 'General case' 0 CA--C 1.534 0.33 0 CA-C-O 121.542 0.686 . . . . 0.38 111.583 -174.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 519' ' ' HIS . . . . . 0.507 ' HB3' ' HB2' ' A' ' 514' ' ' GLU . 5.5 m170 66.98 32.43 6.37 Favored 'General case' 0 C--O 1.224 -0.268 0 C-N-CA 124.985 1.314 . . . . 0.38 110.099 -176.266 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 51.5 mttp -85.59 -11.82 53.04 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.291 -0.413 . . . . 2.9300000000000002 111.15 176.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 521' ' ' VAL . . . . . 0.416 HG22 ' HB2' ' A' ' 515' ' ' CYS . 10.5 m -141.29 159.19 22.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 107.475 -1.306 . . . . 1.1499999999999999 107.475 -177.203 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 522' ' ' ASN . . . . . 0.541 ' HB3' ' HG2' ' A' ' 514' ' ' GLU . 3.0 p-10 -137.48 145.61 43.26 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 121.299 0.571 . . . . 1.75 111.28 -172.104 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 523' ' ' TYR . . . . . 0.887 ' HB3' ' HB2' ' A' ' 528' ' ' CYS . 84.9 m-85 -138.71 147.95 43.36 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 114.947 -1.024 . . . . 0.89000000000000001 110.192 -172.695 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 524' ' ' CYS . . . . . 0.795 ' HB3' ' HB2' ' A' ' 504' ' ' CYS . 11.6 p -69.43 -36.95 77.16 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 115.39 -0.823 . . . . 0.37 111.166 -174.468 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 45.4 m -127.37 177.57 6.63 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.942 -0.572 . . . . 1.6799999999999999 111.21 175.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 69.1 m -70.93 -41.59 70.99 Favored 'General case' 0 C--O 1.236 0.355 0 N-CA-C 112.249 0.463 . . . . 1.26 112.249 178.38 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 527' ' ' PHE . . . . . . . . . . . . . 43.1 p90 -58.72 -34.78 71.72 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 120.986 -0.286 . . . . 0.5 110.942 -176.423 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 528' ' ' CYS . . . . . 0.887 ' HB2' ' HB3' ' A' ' 523' ' ' TYR . 2.1 m -56.55 -46.85 80.45 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-O 121.244 0.545 . . . . 0.84999999999999998 110.907 178.405 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 529' ' ' GLN . . . . . 0.784 ' O ' ' HB3' ' A' ' 533' ' ' TRP . 14.7 tt0 -62.57 -44.19 96.95 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 114.995 -1.002 . . . . 2.8599999999999999 109.214 -175.175 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 530' ' ' ARG . . . . . 0.577 ' O ' ' HE2' ' A' ' 534' ' ' LYS . 37.8 mtp180 -74.73 -33.81 62.43 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 114.955 -1.021 . . . . 4.5899999999999999 111.713 -175.572 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 531' ' ' LYS . . . . . 0.696 ' O ' ' HG2' ' A' ' 534' ' ' LYS . 66.6 mttm -77.67 -52.79 8.41 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.029 0.381 . . . . 3.6699999999999999 112.029 -176.753 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 532' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -66.77 -27.23 67.42 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.344 0.593 . . . . 2.6099999999999999 111.114 -176.52 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 533' ' ' TRP . . . . . 0.784 ' HB3' ' O ' ' A' ' 529' ' ' GLN . 0.0 OUTLIER -71.24 0.28 8.28 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.639 -0.709 . . . . 0.68999999999999995 112.329 -171.355 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 534' ' ' LYS . . . . . 0.696 ' HG2' ' O ' ' A' ' 531' ' ' LYS . 65.4 mmtt -60.38 -28.57 68.31 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 108.349 -0.982 . . . . 2.5800000000000001 108.349 173.719 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 535' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -85.1 -45.43 12.09 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 114.613 -1.176 . . . . 2.04 109.819 173.524 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 536' ' ' HIS . . . . . 0.715 ' HB3' ' HA ' ' A' ' 533' ' ' TRP . 37.9 t60 -67.79 -31.84 72.0 Favored 'General case' 0 CA--C 1.551 1.003 0 N-CA-C 114.164 1.172 . . . . 0.68000000000000005 114.164 -176.058 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 537' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -50.08 -25.6 3.62 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.136 0.575 . . . . 1.8899999999999999 112.182 -177.076 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 538' ' ' HIS . . . . . . . . . . . . . 42.4 m-70 -74.7 -17.29 60.69 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.066 -0.516 . . . . 0.85999999999999999 111.053 -177.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 539' ' ' ILE . . . . . 0.412 HG12 ' O ' ' A' ' 536' ' ' HIS . 29.0 pt -120.87 -7.59 10.26 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 C-N-CA 120.581 -0.448 . . . . 1.8999999999999999 110.873 -172.48 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 4.7 t -70.31 148.97 47.88 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-O 121.478 0.656 . . . . 0.62 110.153 -177.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . 92.29 -32.8 5.26 Favored Glycine 0 C--N 1.306 -1.138 0 CA-C-N 114.569 -1.196 . . . . 2.02 112.091 178.066 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 -70.07 115.4 9.24 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.122 0.487 . . . . 6.7800000000000002 110.175 -179.211 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 45.7 m -113.11 3.74 16.25 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.264 0.554 . . . . 6.9199999999999999 109.592 173.378 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 544' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.833 0 CA-C-N 115.332 -0.849 . . . . 8.8300000000000001 109.724 178.791 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 503' ' ' SER . . . . . 0.744 ' HA ' ' HA ' ' A' ' 510' ' ' GLU . 23.3 m . . . . . 0 N--CA 1.444 -0.758 0 N-CA-C 106.889 -1.523 . . . . 1.32 106.889 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 504' ' ' CYS . . . . . 0.65 ' HB2' ' HB3' ' A' ' 524' ' ' CYS . 49.1 t -48.88 119.47 3.2 Favored 'General case' 0 N--CA 1.443 -0.79 0 C-N-CA 119.028 -1.069 . . . . 0.47 109.1 171.491 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 505' ' ' VAL . . . . . 0.434 ' O ' HG12 ' A' ' 505' ' ' VAL . 21.3 t -76.17 19.87 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-O 122.05 0.929 . . . . 0.63 109.38 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 506' ' ' ASN . . . . . 0.519 ' H ' ' C ' ' A' ' 504' ' ' CYS . 3.0 t-20 -139.0 -40.91 0.48 Allowed 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 115.265 -0.879 . . . . 1.4 112.438 -179.161 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -137.26 -87.45 0.29 Allowed 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 114.076 1.139 . . . . 0.81 114.076 -174.78 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 508' ' ' GLY . . . . . . . . . . . . . . . -112.47 -115.06 3.36 Favored Glycine 0 N--CA 1.451 -0.334 0 N-CA-C 115.445 0.938 . . . . 1.2 115.445 -159.731 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 509' ' ' ARG . . . . . . . . . . . . . 52.5 mtm180 -65.07 -178.83 0.49 Allowed 'General case' 0 CA--C 1.517 -0.29 0 C-N-CA 123.065 0.546 . . . . 4.8 111.581 -169.579 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 510' ' ' GLU . . . . . 0.744 ' HA ' ' HA ' ' A' ' 503' ' ' SER . 9.6 pt-20 -58.62 -49.0 79.11 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.415 0.524 . . . . 2.82 112.415 -168.083 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 511' ' ' ALA . . . . . 0.479 ' HB2' ' O ' ' A' ' 510' ' ' GLU . . . 164.87 156.82 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 123.547 0.529 . . . . 0.69 111.376 -176.047 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 27.2 ttt -100.14 -62.96 1.17 Allowed 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.016 -1.105 . . . . 2.04 108.016 167.542 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 27.4 p -118.66 172.22 7.65 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.606 -0.725 . . . . 0.99 110.624 170.625 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 514' ' ' GLU . . . . . 0.417 ' HB2' ' HB3' ' A' ' 519' ' ' HIS . 41.7 mt-10 -102.71 157.79 16.7 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 108.774 -0.824 . . . . 0.98 108.774 170.914 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 515' ' ' CYS . . . . . 0.483 ' HB2' HG23 ' A' ' 521' ' ' VAL . 45.7 t -38.75 109.24 0.1 Allowed 'General case' 0 N--CA 1.47 0.528 0 O-C-N 124.05 0.844 . . . . 0.38 111.552 -178.782 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 15.6 p -73.84 34.56 0.09 Allowed 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 113.084 0.772 . . . . 0.67 113.084 -170.372 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 517' ' ' GLY . . . . . 0.404 ' H ' ' C ' ' A' ' 515' ' ' CYS . . . -132.8 -4.31 3.43 Favored Glycine 0 N--CA 1.443 -0.878 0 N-CA-C 111.099 -0.8 . . . . 0.4 111.099 171.019 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 21.1 p -164.39 -38.19 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.396 0 CA-C-O 121.566 0.698 . . . . 0.34 110.778 -176.31 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 519' ' ' HIS . . . . . 0.417 ' HB3' ' HB2' ' A' ' 514' ' ' GLU . 0.2 OUTLIER 67.26 38.84 3.2 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 114.348 -1.296 . . . . 0.31 109.899 -175.614 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 21.8 mtpp -97.6 -7.66 30.65 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-N 115.897 -0.592 . . . . 2.27 112.023 176.616 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 521' ' ' VAL . . . . . 0.483 HG23 ' HB2' ' A' ' 515' ' ' CYS . 19.2 m -140.74 162.13 23.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 107.216 -1.402 . . . . 0.41 107.216 178.615 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 -148.06 145.7 28.55 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-O 121.367 0.603 . . . . 1.19 111.35 -171.121 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 523' ' ' TYR . . . . . 0.701 ' HB3' ' HB2' ' A' ' 528' ' ' CYS . 96.1 m-85 -139.63 159.28 42.54 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 115.191 -0.913 . . . . 0.89 109.856 -179.248 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 524' ' ' CYS . . . . . 0.65 ' HB3' ' HB2' ' A' ' 504' ' ' CYS . 17.1 p -67.77 -43.89 78.77 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.265 0.555 . . . . 0.36 110.825 -174.783 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 9.3 t -125.25 179.48 5.06 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.521 -0.763 . . . . 1.18 110.425 179.112 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 30.5 m -70.32 -41.57 73.08 Favored 'General case' 0 C--O 1.235 0.322 0 N-CA-C 112.354 0.502 . . . . 0.46 112.354 -178.186 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 527' ' ' PHE . . . . . . . . . . . . . 46.6 p90 -58.23 -37.46 74.93 Favored 'General case' 0 N--CA 1.463 0.182 0 N-CA-C 111.689 0.255 . . . . 0.44 111.689 -173.187 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 528' ' ' CYS . . . . . 0.701 ' HB2' ' HB3' ' A' ' 523' ' ' TYR . 0.5 OUTLIER -57.86 -43.94 86.29 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.222 0.534 . . . . 0.55 111.071 -179.563 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 529' ' ' GLN . . . . . 0.723 ' O ' ' HB3' ' A' ' 533' ' ' TRP . 28.2 tp60 -67.1 -40.1 86.85 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.277 -0.874 . . . . 2.38 109.836 -174.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 7.2 ttm180 -71.23 -36.81 71.97 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.679 -0.691 . . . . 3.94 110.538 -179.489 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 531' ' ' LYS . . . . . 0.488 ' O ' ' HG2' ' A' ' 534' ' ' LYS . 9.2 mtpm? -69.58 -60.37 2.37 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.169 0.509 . . . . 3.15 111.701 -179.253 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 532' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -83.4 -15.54 49.36 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 113.385 0.883 . . . . 2.61 113.385 -164.13 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 533' ' ' TRP . . . . . 0.723 ' HB3' ' O ' ' A' ' 529' ' ' GLN . 0.0 OUTLIER -72.14 3.8 4.18 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 111.868 0.322 . . . . 0.62 111.868 -178.422 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 534' ' ' LYS . . . . . 0.488 ' HG2' ' O ' ' A' ' 531' ' ' LYS . 1.2 mmpp? -50.15 -32.06 15.12 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 120.739 0.304 . . . . 2.1 111.162 177.01 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 535' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -86.58 -32.32 20.72 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.531 0.681 . . . . 2.04 110.797 177.191 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 536' ' ' HIS . . . . . 0.432 ' O ' HG12 ' A' ' 539' ' ' ILE . 43.2 t60 -79.09 -33.22 44.68 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.139 -0.937 . . . . 0.51 112.829 -174.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 537' ' ' GLN . . . . . 0.522 ' HB3' ' CE2' ' A' ' 533' ' ' TRP . 19.7 pt20 -50.77 -24.59 3.57 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-O 121.097 0.475 . . . . 1.3 111.939 -177.556 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 538' ' ' HIS . . . . . . . . . . . . . 26.0 m-70 -75.23 -17.08 60.41 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.617 -0.719 . . . . 0.72 111.541 -177.728 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 539' ' ' ILE . . . . . 0.432 HG12 ' O ' ' A' ' 536' ' ' HIS . 27.9 pt -120.27 -10.65 10.25 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 C-N-CA 120.64 -0.424 . . . . 1.42 110.99 -173.44 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 4.6 t . . . . . 0 N--CA 1.444 -0.736 0 CA-C-O 121.567 0.698 . . . . 0.62 110.256 -178.031 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 503' ' ' SER . . . . . 0.463 ' HA ' ' HA ' ' A' ' 510' ' ' GLU . 20.6 m . . . . . 0 N--CA 1.444 -0.756 0 N-CA-C 106.385 -1.709 . . . . 1.32 106.385 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 504' ' ' CYS . . . . . 0.747 ' HB2' ' HB3' ' A' ' 524' ' ' CYS . 40.3 t -49.54 120.23 4.01 Favored 'General case' 0 N--CA 1.446 -0.627 0 C-N-CA 119.469 -0.892 . . . . 0.47 108.831 168.898 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 505' ' ' VAL . . . . . 0.435 ' O ' HG12 ' A' ' 505' ' ' VAL . 16.1 t -75.95 19.46 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 121.966 0.889 . . . . 0.63 109.865 179.778 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 506' ' ' ASN . . . . . 0.615 ' HB3' ' HB3' ' A' ' 528' ' ' CYS . 6.9 t30 -138.28 -43.33 0.51 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.693 -0.685 . . . . 1.4 112.249 -176.687 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -148.1 -89.06 0.08 Allowed 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 114.353 1.242 . . . . 0.81 114.353 -176.631 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 508' ' ' GLY . . . . . . . . . . . . . . . -83.18 -130.3 1.59 Allowed Glycine 0 C--N 1.333 0.416 0 N-CA-C 115.676 1.03 . . . . 1.2 115.676 -160.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 509' ' ' ARG . . . . . 0.433 ' HB3' ' H ' ' A' ' 510' ' ' GLU . 30.9 mtt-85 -75.43 -162.89 0.21 Allowed 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 113.115 0.783 . . . . 4.8 113.115 -170.351 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 510' ' ' GLU . . . . . 0.463 ' HA ' ' HA ' ' A' ' 503' ' ' SER . 0.2 OUTLIER -57.11 -50.81 71.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.133 -0.94 . . . . 2.82 112.511 -163.376 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 511' ' ' ALA . . . . . 0.44 ' HB2' ' O ' ' A' ' 510' ' ' GLU . . . 170.77 153.56 0.06 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.032 0.444 . . . . 0.69 111.42 -175.787 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 17.7 tpt -110.99 -72.2 0.73 Allowed 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 107.831 -1.174 . . . . 2.04 107.831 169.026 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 21.7 p -118.3 171.98 7.76 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-O 121.53 0.681 . . . . 0.99 110.375 169.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 514' ' ' GLU . . . . . 0.466 ' HB2' ' CG ' ' A' ' 519' ' ' HIS . 4.2 mt-10 -97.36 154.85 17.18 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 114.999 -1.0 . . . . 0.98 109.138 172.31 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 515' ' ' CYS . . . . . 0.501 ' HA ' ' OE1' ' A' ' 529' ' ' GLN . 10.8 t -40.41 111.41 0.2 Allowed 'General case' 0 N--CA 1.468 0.436 0 O-C-N 123.911 0.757 . . . . 0.38 111.46 177.689 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 44.9 p -71.5 22.46 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.856 0.688 . . . . 0.67 112.856 -173.311 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 517' ' ' GLY . . . . . 0.407 ' H ' ' C ' ' A' ' 515' ' ' CYS . . . -114.17 -13.92 9.56 Favored Glycine 0 N--CA 1.442 -0.933 0 N-CA-C 111.506 -0.638 . . . . 0.4 111.506 171.035 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 24.1 p -158.99 -39.41 0.06 Allowed 'General case' 0 CA--C 1.535 0.392 0 CA-C-O 121.412 0.625 . . . . 0.34 111.484 -175.509 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 519' ' ' HIS . . . . . 0.466 ' CG ' ' HB2' ' A' ' 514' ' ' GLU . 9.7 m170 72.45 23.81 3.07 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 125.066 1.346 . . . . 0.31 110.792 -175.592 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 56.3 mtpt -79.9 -8.07 59.1 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 116.223 -0.444 . . . . 2.27 111.568 178.209 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 521' ' ' VAL . . . . . . . . . . . . . 11.5 m -141.76 163.43 19.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 108.325 -0.991 . . . . 0.41 108.325 -177.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -137.06 143.73 42.8 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 121.339 0.59 . . . . 1.19 110.776 -173.296 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 523' ' ' TYR . . . . . 0.83 ' HB3' ' HB2' ' A' ' 528' ' ' CYS . 79.4 m-85 -139.41 160.47 39.77 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.185 -0.916 . . . . 0.89 109.86 -175.116 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 524' ' ' CYS . . . . . 0.747 ' HB3' ' HB2' ' A' ' 504' ' ' CYS . 13.0 p -76.47 -37.32 57.07 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.982 0.42 . . . . 0.36 110.885 -177.535 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 28.9 t -127.38 179.08 5.66 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.913 -0.585 . . . . 1.18 111.242 174.585 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 18.5 m -72.07 -36.44 69.54 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 122.512 0.325 . . . . 0.46 111.738 177.103 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 527' ' ' PHE . . . . . . . . . . . . . 20.0 p90 -63.05 -33.61 75.8 Favored 'General case' 0 CA--C 1.523 -0.086 0 C-N-CA 120.488 -0.485 . . . . 0.44 110.899 -176.24 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 528' ' ' CYS . . . . . 0.83 ' HB2' ' HB3' ' A' ' 523' ' ' TYR . 1.3 m -58.23 -42.08 85.54 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-O 121.34 0.591 . . . . 0.55 110.801 176.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 529' ' ' GLN . . . . . 0.532 ' HA ' ' CE2' ' A' ' 523' ' ' TYR . 22.0 tt0 -59.42 -49.98 75.72 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-N 114.331 -1.304 . . . . 2.38 109.409 -174.46 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 18.8 mtt180 -78.95 -27.73 43.63 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 114.187 -1.37 . . . . 3.94 112.635 -174.768 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 531' ' ' LYS . . . . . 0.778 ' O ' ' HE2' ' A' ' 534' ' ' LYS . 61.0 mttp -72.08 -59.25 2.84 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.817 0.341 . . . . 3.15 111.002 178.001 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 532' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -57.6 -28.32 63.52 Favored 'General case' 0 CA--C 1.511 -0.531 0 CA-C-O 121.778 0.799 . . . . 2.61 111.319 -177.677 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 533' ' ' TRP . . . . . 1.07 ' HA ' ' HB3' ' A' ' 536' ' ' HIS . 0.0 OUTLIER -64.36 -10.0 21.67 Favored 'General case' 0 N--CA 1.438 -1.058 0 CA-C-N 114.564 -1.198 . . . . 0.62 112.527 -170.101 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 534' ' ' LYS . . . . . 0.778 ' HE2' ' O ' ' A' ' 531' ' ' LYS . 28.5 mtmt -64.23 -15.8 60.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 121.017 -1.052 . . . . 2.1 110.005 176.134 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 535' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -101.78 -43.4 5.85 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.199 -0.91 . . . . 2.04 109.443 168.21 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 536' ' ' HIS . . . . . 1.07 ' HB3' ' HA ' ' A' ' 533' ' ' TRP . 66.6 t60 -62.95 -28.4 70.05 Favored 'General case' 0 CA--C 1.549 0.908 0 CA-C-N 114.683 -1.144 . . . . 0.51 113.658 -177.883 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 537' ' ' GLN . . . . . 0.418 ' HB3' ' CE2' ' A' ' 533' ' ' TRP . 23.6 pt20 -49.46 -31.9 10.87 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 118.201 0.455 . . . . 1.3 111.624 -178.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 538' ' ' HIS . . . . . . . . . . . . . 48.1 m80 -72.14 -15.65 61.98 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.717 -0.674 . . . . 0.72 111.33 -177.281 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 539' ' ' ILE . . . . . . . . . . . . . 29.3 pt -120.13 0.25 7.65 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.357 0 CA-C-O 120.964 0.412 . . . . 1.42 110.004 -175.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 2.0 t . . . . . 0 N--CA 1.445 -0.694 0 N-CA-C 109.232 -0.655 . . . . 0.62 109.232 175.787 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 48.9 m . . . . . 0 N--CA 1.444 -0.729 0 N-CA-C 108.242 -1.021 . . . . 1.32 108.242 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 504' ' ' CYS . . . . . 0.883 ' HB2' ' HB3' ' A' ' 524' ' ' CYS . 41.3 t -65.76 106.44 1.51 Allowed 'General case' 0 N--CA 1.441 -0.882 0 N-CA-C 107.794 -1.188 . . . . 0.47 107.794 169.593 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 505' ' ' VAL . . . . . 0.52 ' HB ' ' CE2' ' A' ' 523' ' ' TYR . 26.0 t -69.85 7.74 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 121.95 0.881 . . . . 0.63 110.345 -178.602 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 506' ' ' ASN . . . . . 0.631 ' HB3' ' HB3' ' A' ' 528' ' ' CYS . 25.3 t-20 -120.87 -45.16 2.39 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.787 -0.642 . . . . 1.4 111.977 -179.825 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 507' ' ' CYS . . . . . 0.452 ' N ' ' SG ' ' A' ' 504' ' ' CYS . 0.5 OUTLIER -149.44 -48.44 0.14 Allowed 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 114.971 1.471 . . . . 0.81 114.971 -169.458 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 508' ' ' GLY . . . . . 0.534 ' H ' ' CB ' ' A' ' 504' ' ' CYS . . . -130.72 -122.4 2.4 Favored Glycine 0 CA--C 1.523 0.558 0 C-N-CA 119.582 -1.294 . . . . 1.2 115.727 -163.49 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 509' ' ' ARG . . . . . . . . . . . . . 28.3 mmt180 -87.08 -175.42 5.33 Favored 'General case' 0 C--O 1.22 -0.476 0 N-CA-C 112.951 0.723 . . . . 4.8 112.951 -167.519 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 510' ' ' GLU . . . . . 0.407 ' H ' ' HG2' ' A' ' 510' ' ' GLU . 9.3 pt-20 -75.43 17.44 0.27 Allowed 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 115.263 1.579 . . . . 2.82 115.263 -161.278 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 511' ' ' ALA . . . . . 0.74 ' HA ' ' HA ' ' A' ' 524' ' ' CYS . . . 71.19 135.06 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 121.786 0.803 . . . . 0.69 112.948 174.326 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 62.1 mtt -85.18 -45.93 11.56 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-N 115.211 -0.904 . . . . 2.04 109.338 179.206 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 20.9 p -118.04 171.83 7.82 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.481 -0.781 . . . . 0.99 110.678 172.372 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 514' ' ' GLU . . . . . 0.488 ' OE1' ' HB3' ' A' ' 519' ' ' HIS . 82.9 mt-10 -106.47 149.93 26.58 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-N 115.014 -0.993 . . . . 0.98 108.325 174.296 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 515' ' ' CYS . . . . . 0.461 ' HA ' HE21 ' A' ' 529' ' ' GLN . 6.1 t -39.05 114.18 0.37 Allowed 'General case' 0 C--O 1.219 -0.545 0 O-C-N 124.096 0.873 . . . . 0.38 111.628 -174.673 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 45.6 p -63.63 -3.65 2.4 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 112.988 0.736 . . . . 0.67 112.988 -169.679 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -93.52 -9.2 60.38 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.572 -0.823 . . . . 0.4 112.41 178.268 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 24.5 p -164.62 -38.55 0.03 OUTLIER 'General case' 0 CA--C 1.538 0.494 0 CA-C-O 121.278 0.561 . . . . 0.34 112.027 -175.644 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 519' ' ' HIS . . . . . 0.488 ' HB3' ' OE1' ' A' ' 514' ' ' GLU . 6.6 m170 67.04 29.28 8.07 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 124.99 1.316 . . . . 0.31 110.039 -172.872 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -91.71 -9.51 43.54 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 115.927 -0.579 . . . . 2.27 111.125 178.447 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 521' ' ' VAL . . . . . . . . . . . . . 28.4 m -141.34 170.0 13.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 108.082 -1.081 . . . . 0.41 108.082 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 522' ' ' ASN . . . . . 0.503 ' HB2' ' CB ' ' A' ' 511' ' ' ALA . 27.1 p-10 -148.56 139.55 23.08 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.455 0.645 . . . . 1.19 111.866 -176.251 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 523' ' ' TYR . . . . . 0.742 ' HB3' ' HB2' ' A' ' 528' ' ' CYS . 70.9 m-85 -139.63 142.99 37.01 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.165 -0.925 . . . . 0.89 108.612 176.618 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 524' ' ' CYS . . . . . 0.883 ' HB3' ' HB2' ' A' ' 504' ' ' CYS . 6.2 p -59.44 -41.32 89.34 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 111.96 0.355 . . . . 0.36 111.96 -165.553 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 18.5 t -124.44 175.6 7.02 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.911 -0.586 . . . . 1.18 110.826 -179.589 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 11.0 m -66.16 -42.0 89.59 Favored 'General case' 0 C--O 1.236 0.358 0 O-C-N 122.224 -0.298 . . . . 0.46 111.797 -177.159 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 527' ' ' PHE . . . . . . . . . . . . . 54.3 p90 -62.71 -37.97 88.6 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.864 -0.334 . . . . 0.44 110.843 -175.854 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 528' ' ' CYS . . . . . 0.742 ' HB2' ' HB3' ' A' ' 523' ' ' TYR . 3.9 m -56.54 -40.86 75.82 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-O 121.192 0.52 . . . . 0.55 110.931 178.358 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 529' ' ' GLN . . . . . 0.653 ' O ' ' HB3' ' A' ' 533' ' ' TRP . 49.0 mt-30 -68.0 -49.68 60.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.608 -0.723 . . . . 2.38 109.955 -177.855 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 65.1 mtp180 -74.08 -26.8 60.57 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.973 -1.012 . . . . 3.94 111.547 -172.185 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 531' ' ' LYS . . . . . 0.491 ' O ' ' HG2' ' A' ' 534' ' ' LYS . 31.9 mmtp -76.35 -51.81 11.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.788 0.328 . . . . 3.15 111.062 178.18 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 532' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.6 -33.33 58.42 Favored 'General case' 0 CA--C 1.509 -0.612 0 N-CA-C 112.662 0.616 . . . . 2.61 112.662 -170.002 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 533' ' ' TRP . . . . . 0.653 ' HB3' ' O ' ' A' ' 529' ' ' GLN . 0.0 OUTLIER -65.8 6.25 0.37 Allowed 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.856 0.687 . . . . 0.62 112.856 -168.427 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 534' ' ' LYS . . . . . 0.491 ' HG2' ' O ' ' A' ' 531' ' ' LYS . 62.0 mmtt -53.53 -21.31 6.18 Favored 'General case' 0 C--N 1.322 -0.606 0 O-C-N 121.866 -0.521 . . . . 2.1 111.445 176.212 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 535' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -99.79 -24.9 14.54 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.519 0.676 . . . . 2.04 110.539 172.819 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 536' ' ' HIS . . . . . 0.618 ' HB3' ' HB2' ' A' ' 533' ' ' TRP . 57.8 t60 -78.72 -29.12 45.16 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.241 -0.891 . . . . 0.51 111.738 -178.334 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 537' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -54.87 -23.47 18.72 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.067 0.461 . . . . 1.3 110.969 177.361 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 538' ' ' HIS . . . . . . . . . . . . . 57.4 m80 -77.03 -20.96 55.28 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.557 -0.747 . . . . 0.72 111.297 -178.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 539' ' ' ILE . . . . . . . . . . . . . 11.8 tt -119.47 -18.85 5.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.128 0.49 . . . . 1.42 110.108 -171.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 2.9 t . . . . . 0 N--CA 1.442 -0.836 0 CA-C-O 121.493 0.664 . . . . 0.62 109.502 175.305 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 47.6 p . . . . . 0 N--CA 1.44 -0.928 0 N-CA-C 108.873 -0.788 . . . . 1.32 108.873 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 504' ' ' CYS . . . . . 0.591 ' HB2' ' HB3' ' A' ' 524' ' ' CYS . 46.4 t -46.51 131.94 10.84 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 109.476 -0.565 . . . . 0.47 109.476 171.087 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 505' ' ' VAL . . . . . 0.425 ' O ' HG12 ' A' ' 505' ' ' VAL . 13.0 t -75.25 21.44 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 122.034 0.921 . . . . 0.63 109.62 178.395 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 506' ' ' ASN . . . . . 0.524 ' H ' ' C ' ' A' ' 504' ' ' CYS . 2.8 t-20 -145.86 -32.26 0.36 Allowed 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 115.389 -0.823 . . . . 1.4 111.776 -178.278 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 507' ' ' CYS . . . . . 0.474 ' HB2' ' H ' ' A' ' 508' ' ' GLY . 0.0 OUTLIER -140.84 -93.36 0.15 Allowed 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 112.293 0.479 . . . . 0.81 112.293 -176.266 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 508' ' ' GLY . . . . . 0.715 ' O ' ' HB3' ' A' ' 524' ' ' CYS . . . -148.42 -166.83 13.15 Favored Glycine 0 C--O 1.214 -1.142 0 CA-C-O 119.352 -0.693 . . . . 1.2 112.118 -173.524 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 509' ' ' ARG . . . . . 0.437 ' C ' ' H ' ' A' ' 511' ' ' ALA . 1.2 tpm_? 65.76 138.92 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 117.333 0.567 . . . . 4.8 111.064 175.644 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 510' ' ' GLU . . . . . 0.474 ' CD ' ' H ' ' A' ' 510' ' ' GLU . 0.5 OUTLIER -75.95 19.7 0.21 Allowed 'General case' 0 C--N 1.327 -0.402 0 O-C-N 121.349 -0.844 . . . . 2.82 111.395 -179.021 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 511' ' ' ALA . . . . . 0.437 ' H ' ' C ' ' A' ' 509' ' ' ARG . . . 76.51 148.03 0.1 Allowed 'General case' 0 C--O 1.233 0.23 0 C-N-CA 123.902 0.881 . . . . 0.69 112.042 174.802 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 63.9 mtt -100.39 -57.68 2.06 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.47 -0.786 . . . . 2.04 109.016 178.117 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 22.8 m -116.8 172.22 7.38 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.759 -0.655 . . . . 0.99 110.341 171.175 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 514' ' ' GLU . . . . . 0.527 ' HB2' ' CG ' ' A' ' 519' ' ' HIS . 1.2 mt-10 -106.4 162.09 14.0 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.065 -0.97 . . . . 0.98 109.534 177.503 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 515' ' ' CYS . . . . . 0.473 ' HB2' HG23 ' A' ' 521' ' ' VAL . 46.6 t -43.5 107.08 0.08 Allowed 'General case' 0 N--CA 1.468 0.436 0 O-C-N 123.842 0.714 . . . . 0.38 109.676 175.112 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 516' ' ' THR . . . . . 0.584 ' HA ' ' NE2' ' A' ' 519' ' ' HIS . 0.2 OUTLIER -65.66 -2.39 3.53 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 113.52 0.933 . . . . 0.67 113.52 -164.16 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -94.68 -13.01 54.98 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.367 -0.921 . . . . 0.4 112.597 177.196 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 518' ' ' CYS . . . . . 0.406 ' SG ' ' N ' ' A' ' 519' ' ' HIS . 30.8 p -153.46 -42.74 0.09 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.633 0.73 . . . . 0.34 111.529 -174.384 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 519' ' ' HIS . . . . . 0.584 ' NE2' ' HA ' ' A' ' 516' ' ' THR . 6.6 m170 69.38 25.44 5.52 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 114.463 -1.244 . . . . 0.31 109.826 -177.55 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 520' ' ' LYS . . . . . 0.421 ' NZ ' ' HB3' ' A' ' 520' ' ' LYS . 9.4 mtpm? -87.28 -3.27 59.03 Favored 'General case' 0 N--CA 1.461 0.116 0 CA-C-N 115.412 -0.813 . . . . 2.27 110.878 176.511 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 521' ' ' VAL . . . . . 0.473 HG23 ' HB2' ' A' ' 515' ' ' CYS . 13.1 m -146.73 166.05 7.22 Favored 'Isoleucine or valine' 0 C--O 1.237 0.44 0 N-CA-C 107.437 -1.32 . . . . 0.41 107.437 179.627 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -151.49 150.97 31.0 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.362 0.601 . . . . 1.19 111.578 -173.582 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 523' ' ' TYR . . . . . 0.494 ' HB3' ' HB2' ' A' ' 528' ' ' CYS . 71.3 m-85 -139.91 153.67 47.03 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.985 -1.007 . . . . 0.89 110.067 -177.095 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 524' ' ' CYS . . . . . 0.715 ' HB3' ' O ' ' A' ' 508' ' ' GLY . 21.3 p -57.73 -51.4 69.71 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 121.243 0.544 . . . . 0.36 110.579 -177.033 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 525' ' ' SER . . . . . 0.586 ' HB3' ' CE1' ' A' ' 527' ' ' PHE . 20.9 t -127.19 -175.05 3.32 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.396 -0.82 . . . . 1.18 110.591 179.504 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 9.0 m -69.74 -38.54 76.86 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.847 0.684 . . . . 0.46 112.847 -177.427 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 527' ' ' PHE . . . . . 0.586 ' CE1' ' HB3' ' A' ' 525' ' ' SER . 47.5 p90 -58.14 -42.79 86.64 Favored 'General case' 0 N--CA 1.466 0.325 0 N-CA-C 112.031 0.382 . . . . 0.44 112.031 -170.299 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 528' ' ' CYS . . . . . 0.494 ' HB2' ' HB3' ' A' ' 523' ' ' TYR . 0.0 OUTLIER -61.57 -35.94 79.22 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.321 0.581 . . . . 0.55 111.22 -179.721 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 529' ' ' GLN . . . . . 0.743 ' O ' ' HB3' ' A' ' 533' ' ' TRP . 31.2 tt0 -67.05 -45.53 77.11 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 115.075 -0.966 . . . . 2.38 109.066 -176.095 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 530' ' ' ARG . . . . . 0.561 ' O ' ' HE2' ' A' ' 534' ' ' LYS . 89.5 mtt180 -75.3 -41.6 56.59 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.588 -0.733 . . . . 3.94 112.212 -179.318 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 531' ' ' LYS . . . . . 0.444 ' O ' ' HG2' ' A' ' 534' ' ' LYS . 65.4 mttm -70.97 -43.49 67.97 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.409 0.522 . . . . 3.15 112.409 -174.384 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 532' ' ' ASP . . . . . 0.464 ' HB2' ' O ' ' A' ' 528' ' ' CYS . 0.3 OUTLIER -87.06 -22.96 25.11 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 112.869 0.692 . . . . 2.61 112.869 -172.378 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 533' ' ' TRP . . . . . 0.743 ' HB3' ' O ' ' A' ' 529' ' ' GLN . 0.0 OUTLIER -72.89 4.77 3.8 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 112.42 0.526 . . . . 0.62 112.42 -173.576 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 534' ' ' LYS . . . . . 0.561 ' HE2' ' O ' ' A' ' 530' ' ' ARG . 70.3 mmtt -54.65 -24.55 22.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 122.164 -0.335 . . . . 2.1 111.208 179.627 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 535' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -95.89 -31.08 13.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.468 0.651 . . . . 2.04 110.518 174.712 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 536' ' ' HIS . . . . . . . . . . . . . 26.9 t60 -77.46 -29.19 52.64 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 115.6 -0.727 . . . . 0.51 112.057 -176.788 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 537' ' ' GLN . . . . . 0.453 ' HB3' ' CE2' ' A' ' 533' ' ' TRP . 13.6 pt20 -50.28 -24.73 3.1 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 123.016 0.526 . . . . 1.3 111.592 179.035 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 538' ' ' HIS . . . . . . . . . . . . . 34.4 m80 -78.11 -18.68 55.37 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.474 -0.784 . . . . 0.72 110.943 -177.307 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 539' ' ' ILE . . . . . . . . . . . . . 31.8 pt -119.99 -5.64 10.43 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.313 0 CA-C-O 120.816 0.341 . . . . 1.42 110.777 -172.204 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 5.1 t . . . . . 0 N--CA 1.446 -0.646 0 CA-C-O 121.546 0.688 . . . . 0.62 110.218 -178.865 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 503' ' ' SER . . . . . 0.636 ' HB2' ' O ' ' A' ' 508' ' ' GLY . 5.0 p . . . . . 0 N--CA 1.437 -1.082 0 N-CA-C 108.525 -0.917 . . . . 1.32 108.525 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 504' ' ' CYS . . . . . 0.745 ' HB2' ' HB3' ' A' ' 524' ' ' CYS . 38.9 t -61.8 122.1 14.54 Favored 'General case' 0 N--CA 1.44 -0.973 0 N-CA-C 108.286 -1.005 . . . . 0.47 108.286 171.697 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 505' ' ' VAL . . . . . 0.424 ' O ' HG12 ' A' ' 505' ' ' VAL . 14.2 t -74.27 20.58 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-O 121.86 0.838 . . . . 0.63 109.258 176.666 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 506' ' ' ASN . . . . . 0.541 ' H ' ' C ' ' A' ' 504' ' ' CYS . 22.6 t-20 -143.01 -38.78 0.34 Allowed 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 115.717 -0.674 . . . . 1.4 112.323 -173.66 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -136.03 -79.44 0.42 Allowed 'General case' 0 N--CA 1.464 0.245 0 C-N-CA 119.897 -0.721 . . . . 0.81 112.62 -175.84 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 508' ' ' GLY . . . . . 0.636 ' O ' ' HB2' ' A' ' 503' ' ' SER . . . -143.48 -94.49 0.19 Allowed Glycine 0 C--O 1.222 -0.605 0 C-N-CA 120.151 -1.023 . . . . 1.2 114.885 -165.281 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 509' ' ' ARG . . . . . 0.629 ' HB2' ' HB2' ' A' ' 524' ' ' CYS . 55.2 mtp180 -51.03 160.11 0.52 Allowed 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 123.92 0.888 . . . . 4.8 113.276 -168.017 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 510' ' ' GLU . . . . . 0.636 ' HA ' ' HA ' ' A' ' 503' ' ' SER . 29.7 mt-10 -73.75 18.26 0.14 Allowed 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.081 -0.963 . . . . 2.82 112.576 -173.085 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 511' ' ' ALA . . . . . 0.588 ' HA ' ' HA ' ' A' ' 524' ' ' CYS . . . 73.36 155.01 0.16 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.42 -0.809 . . . . 0.69 111.647 177.262 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 84.7 mtp -92.44 -63.41 1.23 Allowed 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.085 -1.08 . . . . 2.04 108.085 176.111 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 18.9 p -117.24 171.94 7.63 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 114.906 -1.043 . . . . 0.99 110.054 172.304 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 514' ' ' GLU . . . . . 0.593 ' HB3' ' HA ' ' A' ' 519' ' ' HIS . 49.6 mt-10 -88.89 160.99 16.92 Favored 'General case' 0 C--N 1.317 -0.816 0 N-CA-C 109.202 -0.666 . . . . 0.98 109.202 173.059 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 515' ' ' CYS . . . . . 0.651 ' HA ' ' OE1' ' A' ' 529' ' ' GLN . 44.6 t -40.32 107.83 0.08 Allowed 'General case' 0 C--O 1.221 -0.419 0 O-C-N 124.371 1.044 . . . . 0.38 110.765 179.173 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 39.3 p -58.89 -15.89 14.88 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 113.189 0.811 . . . . 0.67 113.189 -167.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -82.82 -10.91 82.43 Favored Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.481 -0.866 . . . . 0.4 113.226 179.441 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 518' ' ' CYS . . . . . 0.417 ' SG ' ' N ' ' A' ' 519' ' ' HIS . 28.4 p -160.87 -41.14 0.05 OUTLIER 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 117.46 0.63 . . . . 0.34 112.374 -173.599 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 519' ' ' HIS . . . . . 0.593 ' HA ' ' HB3' ' A' ' 514' ' ' GLU . 8.3 m170 71.43 31.35 2.33 Favored 'General case' 0 C--O 1.225 -0.234 0 C-N-CA 124.755 1.222 . . . . 0.31 110.202 -174.618 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -89.28 -9.23 51.36 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.492 -0.776 . . . . 2.27 110.977 175.454 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 521' ' ' VAL . . . . . 0.444 HG23 ' HB2' ' A' ' 515' ' ' CYS . 29.3 m -147.59 178.52 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 N-CA-C 108.152 -1.055 . . . . 0.41 108.152 -178.895 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 23.8 p-10 -155.72 148.61 24.29 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.251 0.548 . . . . 1.19 111.429 -177.494 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 523' ' ' TYR . . . . . 0.495 ' HB3' ' HB2' ' A' ' 528' ' ' CYS . 88.0 m-85 -138.48 145.48 40.88 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.155 -0.929 . . . . 0.89 109.79 -179.277 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 524' ' ' CYS . . . . . 0.745 ' HB3' ' HB2' ' A' ' 504' ' ' CYS . 22.1 p -50.65 -47.34 58.59 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 121.298 0.571 . . . . 0.36 111.143 -172.717 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 525' ' ' SER . . . . . 0.58 ' HB2' ' CE2' ' A' ' 527' ' ' PHE . 49.2 m -126.6 -178.84 4.51 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.132 -0.94 . . . . 1.18 111.094 175.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 32.1 m -68.06 -38.11 82.08 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.69 0.626 . . . . 0.46 112.69 -178.559 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 527' ' ' PHE . . . . . 0.58 ' CE2' ' HB2' ' A' ' 525' ' ' SER . 47.0 p90 -58.39 -39.77 80.55 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 112.345 0.498 . . . . 0.44 112.345 -170.718 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 528' ' ' CYS . . . . . 0.495 ' HB2' ' HB3' ' A' ' 523' ' ' TYR . 0.0 OUTLIER -63.95 -31.98 73.36 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.678 0.275 . . . . 0.55 111.301 -178.026 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 529' ' ' GLN . . . . . 0.735 ' O ' ' HB3' ' A' ' 533' ' ' TRP . 15.6 tt0 -67.79 -55.35 13.34 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.604 0.716 . . . . 2.38 109.506 -174.017 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 530' ' ' ARG . . . . . 0.632 ' O ' ' HE3' ' A' ' 534' ' ' LYS . 40.0 ptt180 -74.61 -26.23 59.77 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 114.792 -1.094 . . . . 3.94 111.628 -174.006 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 48.0 tptt -78.35 -41.68 32.76 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.297 0.57 . . . . 3.15 111.124 -178.45 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 532' ' ' ASP . . . . . 0.432 ' HB2' ' O ' ' A' ' 528' ' ' CYS . 0.7 OUTLIER -83.34 -30.76 27.21 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.602 -0.727 . . . . 2.61 112.42 -173.274 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 533' ' ' TRP . . . . . 0.735 ' HB3' ' O ' ' A' ' 529' ' ' GLN . 0.0 OUTLIER -67.16 4.96 0.78 Allowed 'General case' 0 C--O 1.214 -0.763 0 N-CA-C 113.884 1.068 . . . . 0.62 113.884 -165.273 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 534' ' ' LYS . . . . . 0.672 ' HD2' ' H ' ' A' ' 534' ' ' LYS . 0.0 OUTLIER -57.74 -20.42 34.6 Favored 'General case' 0 C--N 1.322 -0.59 0 O-C-N 121.162 -0.961 . . . . 2.1 111.444 176.22 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 535' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -97.03 -23.57 16.2 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 121.775 0.798 . . . . 2.04 110.37 173.256 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 536' ' ' HIS . . . . . 0.473 ' HB3' ' HA ' ' A' ' 533' ' ' TRP . 27.0 t60 -86.43 -31.5 21.37 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 115.014 -0.993 . . . . 0.51 112.964 -177.76 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 537' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -45.57 -24.54 0.35 Allowed 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.844 0.858 . . . . 1.3 112.057 179.013 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 538' ' ' HIS . . . . . . . . . . . . . 16.5 m80 -78.46 -21.8 48.52 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.678 -0.692 . . . . 0.72 110.969 -178.568 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 539' ' ' ILE . . . . . . . . . . . . . 33.2 pt -120.59 10.3 6.31 Favored 'Isoleucine or valine' 0 C--O 1.236 0.362 0 CA-C-O 120.949 0.405 . . . . 1.42 111.062 -173.316 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 4.3 t . . . . . 0 N--CA 1.446 -0.653 0 N-CA-C 109.395 -0.594 . . . . 0.62 109.395 179.162 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 503' ' ' SER . . . . . 0.517 ' HB2' ' O ' ' A' ' 508' ' ' GLY . 1.0 OUTLIER . . . . . 0 N--CA 1.442 -0.829 0 N-CA-C 108.833 -0.803 . . . . 1.32 108.833 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 504' ' ' CYS . . . . . 0.843 ' HB2' ' HB3' ' A' ' 524' ' ' CYS . 45.8 t -87.69 146.9 25.48 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 108.355 -0.979 . . . . 0.47 108.355 166.27 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 505' ' ' VAL . . . . . 0.468 ' O ' HG12 ' A' ' 505' ' ' VAL . 43.1 t -85.78 9.84 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-O 121.603 0.716 . . . . 0.63 109.557 178.342 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 506' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -142.45 -31.45 0.52 Allowed 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 112.81 0.67 . . . . 1.4 112.81 176.834 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -139.26 -99.77 0.16 Allowed 'General case' 0 N--CA 1.47 0.569 0 O-C-N 121.051 -1.031 . . . . 0.81 113.751 -175.307 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 508' ' ' GLY . . . . . 0.517 ' O ' ' HB2' ' A' ' 503' ' ' SER . . . -115.57 -99.77 2.23 Favored Glycine 0 C--O 1.218 -0.89 0 C-N-CA 120.751 -0.737 . . . . 1.2 114.914 -163.307 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 509' ' ' ARG . . . . . 0.956 ' HB2' ' HB2' ' A' ' 524' ' ' CYS . 0.0 OUTLIER -36.38 151.65 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.964 1.306 . . . . 4.8 113.641 -173.897 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 510' ' ' GLU . . . . . 0.413 ' HA ' ' CA ' ' A' ' 503' ' ' SER . 10.7 pt-20 -68.71 21.37 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 114.759 -1.11 . . . . 2.82 112.935 -175.776 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 511' ' ' ALA . . . . . 0.475 ' H ' ' C ' ' A' ' 509' ' ' ARG . . . 70.41 120.65 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.215 0 O-C-N 123.904 0.753 . . . . 0.69 111.058 -175.073 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 91.3 mtp -86.28 -60.73 1.92 Allowed 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.801 -0.815 . . . . 2.04 108.801 -178.495 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 5.3 p -117.63 155.14 30.39 Favored 'General case' 0 N--CA 1.443 -0.821 0 CA-C-N 115.527 -0.761 . . . . 0.99 110.757 172.414 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 514' ' ' GLU . . . . . 0.545 ' HB2' ' HB3' ' A' ' 519' ' ' HIS . 34.5 mt-10 -90.9 152.72 20.62 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 115.22 -0.9 . . . . 0.98 109.622 176.212 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 41.7 t -38.84 106.77 0.06 Allowed 'General case' 0 N--CA 1.469 0.52 0 O-C-N 124.347 1.029 . . . . 0.38 112.009 -176.287 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 19.1 p -47.51 -31.12 3.99 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 114.522 1.304 . . . . 0.67 114.522 -168.63 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -77.66 -6.64 87.03 Favored Glycine 0 CA--C 1.521 0.462 0 C-N-CA 120.504 -0.855 . . . . 0.4 113.418 -177.035 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 518' ' ' CYS . . . . . 0.49 ' SG ' ' N ' ' A' ' 519' ' ' HIS . 30.7 p -158.44 -48.32 0.06 Allowed 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 117.485 0.643 . . . . 0.34 111.668 -175.23 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 519' ' ' HIS . . . . . 0.545 ' HB3' ' HB2' ' A' ' 514' ' ' GLU . 5.6 m170 72.1 33.82 1.53 Allowed 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 125.131 1.372 . . . . 0.31 109.607 -173.287 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 57.6 mttp -98.74 -0.76 42.08 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.494 -0.775 . . . . 2.27 111.712 176.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 521' ' ' VAL . . . . . . . . . . . . . 26.8 m -139.08 165.37 23.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 107.35 -1.352 . . . . 0.41 107.35 173.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 522' ' ' ASN . . . . . 0.523 ' HB3' ' HG2' ' A' ' 514' ' ' GLU . 0.2 OUTLIER -151.34 119.81 6.45 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.873 0.844 . . . . 1.19 112.134 -175.059 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 523' ' ' TYR . . . . . 0.597 ' HB2' ' HB2' ' A' ' 529' ' ' GLN . 10.3 m-85 -123.38 156.29 35.71 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 114.978 -1.01 . . . . 0.89 109.115 177.557 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 524' ' ' CYS . . . . . 0.956 ' HB2' ' HB2' ' A' ' 509' ' ' ARG . 22.8 p -51.6 -49.03 62.95 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 121.144 0.497 . . . . 0.36 111.26 -174.516 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 525' ' ' SER . . . . . 0.425 ' HB2' ' CE2' ' A' ' 527' ' ' PHE . 5.4 m -126.25 -178.01 4.17 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.348 -0.842 . . . . 1.18 111.227 -177.814 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 22.8 m -70.54 -39.77 73.83 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.523 -0.308 . . . . 0.46 111.646 179.287 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 527' ' ' PHE . . . . . 0.425 ' CE2' ' HB2' ' A' ' 525' ' ' SER . 26.8 p90 -58.09 -49.01 78.43 Favored 'General case' 0 N--CA 1.463 0.196 0 N-CA-C 112.739 0.644 . . . . 0.44 112.739 -170.522 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 528' ' ' CYS . . . . . 0.437 ' SG ' ' HB3' ' A' ' 523' ' ' TYR . 0.8 OUTLIER -70.39 -35.18 73.32 Favored 'General case' 0 N--CA 1.438 -1.059 0 CA-C-O 121.326 0.584 . . . . 0.55 111.203 -175.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 529' ' ' GLN . . . . . 0.68 ' O ' ' HB3' ' A' ' 533' ' ' TRP . 4.7 tt0 -67.73 -37.51 82.3 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.318 -0.856 . . . . 2.38 109.372 -177.715 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 530' ' ' ARG . . . . . 0.545 ' HA ' ' HD3' ' A' ' 530' ' ' ARG . 19.9 mmt-85 -78.62 -34.16 46.84 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.206 -0.906 . . . . 3.94 112.863 176.478 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 531' ' ' LYS . . . . . 0.458 ' O ' ' HG2' ' A' ' 534' ' ' LYS . 43.6 mmtm -71.7 -45.57 61.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 122.002 -0.436 . . . . 3.15 111.415 -178.519 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 532' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -82.06 -8.96 59.69 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.03 -0.532 . . . . 2.61 112.178 -175.345 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 533' ' ' TRP . . . . . 0.68 ' HB3' ' O ' ' A' ' 529' ' ' GLN . 0.0 OUTLIER -74.27 4.64 5.45 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.418 -0.356 . . . . 0.62 111.696 -176.435 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 534' ' ' LYS . . . . . 0.711 ' HE2' ' HA ' ' A' ' 534' ' ' LYS . 9.7 mmpt? -52.12 -29.4 21.68 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 120.837 0.351 . . . . 2.1 111.523 -179.172 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 535' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -93.65 -22.72 18.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.699 0.762 . . . . 2.04 110.388 175.279 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 536' ' ' HIS . . . . . 0.419 ' HB3' ' HA ' ' A' ' 533' ' ' TRP . 59.8 t60 -87.0 -25.92 24.03 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 115.483 -0.781 . . . . 0.51 112.193 -173.535 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 537' ' ' GLN . . . . . 0.615 ' HB3' ' CE2' ' A' ' 533' ' ' TRP . 3.9 pt20 -54.53 -23.24 15.67 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 121.548 0.69 . . . . 1.3 110.737 178.656 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 538' ' ' HIS . . . . . . . . . . . . . 29.8 m80 -76.49 -16.48 59.64 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.794 -1.094 . . . . 0.72 111.505 -178.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 539' ' ' ILE . . . . . . . . . . . . . 15.4 tt -121.35 -10.53 9.34 Favored 'Isoleucine or valine' 0 C--O 1.233 0.197 0 CA-C-O 121.29 0.567 . . . . 1.42 110.852 -174.002 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 N--CA 1.446 -0.655 0 C-N-CA 119.871 -0.732 . . . . 0.62 109.817 179.328 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 503' ' ' SER . . . . . 0.729 ' HB3' ' HA ' ' A' ' 510' ' ' GLU . 33.6 m . . . . . 0 N--CA 1.449 -0.509 0 N-CA-C 108.795 -0.817 . . . . 1.32 108.795 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 504' ' ' CYS . . . . . 0.735 ' HB2' ' HB3' ' A' ' 524' ' ' CYS . 42.8 t -80.96 121.05 25.54 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 107.914 -1.143 . . . . 0.47 107.914 164.627 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 505' ' ' VAL . . . . . 0.764 ' HB ' ' CE1' ' A' ' 523' ' ' TYR . 43.8 t -68.13 -4.24 3.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 121.482 0.658 . . . . 0.63 109.803 177.564 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 506' ' ' ASN . . . . . 0.486 ' HB3' ' HB3' ' A' ' 528' ' ' CYS . 6.8 t30 -113.31 -44.19 3.27 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 115.95 -0.568 . . . . 1.4 111.886 -179.169 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -133.48 -82.36 0.47 Allowed 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 113.175 0.805 . . . . 0.81 113.175 -173.095 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 508' ' ' GLY . . . . . 0.479 ' N ' ' HB3' ' A' ' 504' ' ' CYS . . . -140.65 -102.03 0.48 Allowed Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.59 -0.814 . . . . 1.2 114.91 -165.25 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 509' ' ' ARG . . . . . 0.812 ' HB3' ' HB2' ' A' ' 524' ' ' CYS . 19.8 tpp180 -35.55 142.67 0.06 Allowed 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.754 1.222 . . . . 4.8 112.759 -172.759 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 510' ' ' GLU . . . . . 0.729 ' HA ' ' HB3' ' A' ' 503' ' ' SER . 1.6 pm0 -68.84 20.13 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 113.702 1.001 . . . . 2.82 113.702 -170.356 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 511' ' ' ALA . . . . . 0.561 ' CB ' ' HB2' ' A' ' 522' ' ' ASN . . . 73.85 137.64 0.06 Allowed 'General case' 0 CA--C 1.518 -0.279 0 C-N-CA 123.723 0.809 . . . . 0.69 111.72 177.804 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 64.6 mtt -89.26 -49.09 6.93 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.468 -0.938 . . . . 2.04 108.468 176.795 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 73.6 m -118.37 160.46 21.64 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.569 -0.741 . . . . 0.99 110.084 168.331 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 514' ' ' GLU . . . . . 0.463 ' HB3' ' HA ' ' A' ' 519' ' ' HIS . 40.1 mt-10 -88.09 160.31 17.86 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.486 -0.931 . . . . 0.98 108.486 170.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 38.4 t -40.69 112.53 0.3 Allowed 'General case' 0 N--CA 1.47 0.558 0 O-C-N 123.903 0.752 . . . . 0.38 111.155 -176.611 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 24.9 p -64.12 0.13 1.02 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 114.008 1.114 . . . . 0.67 114.008 -166.353 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -103.03 -12.27 32.18 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.16 -1.019 . . . . 0.4 112.714 177.25 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 518' ' ' CYS . . . . . 1.015 ' HB2' ' HD3' ' A' ' 520' ' ' LYS . 31.2 p -152.96 -39.65 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.148 0.499 . . . . 0.34 111.727 -174.447 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 519' ' ' HIS . . . . . 0.463 ' HA ' ' HB3' ' A' ' 514' ' ' GLU . 6.1 m170 62.03 36.49 15.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.237 -0.892 . . . . 0.31 109.408 -172.725 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 520' ' ' LYS . . . . . 1.015 ' HD3' ' HB2' ' A' ' 518' ' ' CYS . 4.9 mptp? -91.07 -12.66 34.99 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.683 -0.689 . . . . 2.27 110.534 174.076 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 521' ' ' VAL . . . . . . . . . . . . . 16.1 m -146.92 163.64 7.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 N-CA-C 106.948 -1.501 . . . . 0.41 106.948 -177.35 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 522' ' ' ASN . . . . . 0.561 ' HB2' ' CB ' ' A' ' 511' ' ' ALA . 22.0 p-10 -140.08 147.15 39.87 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.324 0.583 . . . . 1.19 111.498 -175.58 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 523' ' ' TYR . . . . . 0.841 ' HB3' ' HB2' ' A' ' 528' ' ' CYS . 97.0 m-85 -140.81 141.99 34.69 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 115.366 -0.834 . . . . 0.89 110.744 -176.898 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 524' ' ' CYS . . . . . 0.812 ' HB2' ' HB3' ' A' ' 509' ' ' ARG . 14.8 p -52.03 -45.55 64.69 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-O 121.102 0.477 . . . . 0.36 110.758 -173.47 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 525' ' ' SER . . . . . 0.417 ' HB2' ' CE2' ' A' ' 527' ' ' PHE . 6.2 m -124.96 -179.28 4.48 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.265 -0.88 . . . . 1.18 111.314 -177.222 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 91.1 m -72.38 -41.84 65.9 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.382 0.512 . . . . 0.46 112.382 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 527' ' ' PHE . . . . . 0.417 ' CE2' ' HB2' ' A' ' 525' ' ' SER . 48.8 p90 -58.21 -36.56 73.31 Favored 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 111.712 0.264 . . . . 0.44 111.712 -174.68 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 528' ' ' CYS . . . . . 0.841 ' HB2' ' HB3' ' A' ' 523' ' ' TYR . 0.0 OUTLIER -60.68 -41.35 94.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.962 0.411 . . . . 0.55 110.75 179.492 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 529' ' ' GLN . . . . . 0.478 ' O ' ' HB3' ' A' ' 533' ' ' TRP . 36.0 tt0 -63.59 -41.48 98.35 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.305 -0.861 . . . . 2.38 109.246 -177.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 19.2 mmm180 -74.32 -45.62 46.2 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.172 -0.922 . . . . 3.94 111.731 -176.281 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? -56.44 -51.49 68.21 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 121.101 0.476 . . . . 3.15 111.202 -178.755 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 532' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -64.61 -34.3 77.95 Favored 'General case' 0 CA--C 1.506 -0.747 0 CA-C-N 115.485 -0.78 . . . . 2.61 111.504 -179.289 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 533' ' ' TRP . . . . . 1.054 ' HA ' ' HB3' ' A' ' 536' ' ' HIS . 0.0 OUTLIER -68.56 -9.23 48.09 Favored 'General case' 0 N--CA 1.434 -1.25 0 CA-C-N 115.292 -0.867 . . . . 0.62 111.823 -166.42 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 28.4 mmtp -60.6 -26.28 66.86 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.572 0.701 . . . . 2.1 109.126 175.662 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 535' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -99.81 -42.0 7.01 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 114.821 -1.081 . . . . 2.04 109.485 171.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 536' ' ' HIS . . . . . 1.054 ' HB3' ' HA ' ' A' ' 533' ' ' TRP . 50.0 t60 -62.7 -28.98 70.32 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 115.073 -0.967 . . . . 0.51 113.073 -177.585 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 537' ' ' GLN . . . . . 0.427 ' HB3' ' CE2' ' A' ' 533' ' ' TRP . 14.2 pt20 -48.19 -28.57 3.07 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.086 0.555 . . . . 1.3 111.995 178.762 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 538' ' ' HIS . . . . . . . . . . . . . 71.1 m80 -73.81 -16.59 61.15 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.123 -0.49 . . . . 0.72 111.237 -178.321 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 539' ' ' ILE . . . . . . . . . . . . . 31.1 pt -120.42 -5.58 10.11 Favored 'Isoleucine or valine' 0 C--O 1.232 0.159 0 C-N-CA 120.966 -0.293 . . . . 1.42 111.372 -176.783 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 2.0 t . . . . . 0 N--CA 1.451 -0.389 0 N-CA-C 109.081 -0.711 . . . . 0.62 109.081 177.263 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 503' ' ' SER . . . . . 0.479 ' HB2' ' O ' ' A' ' 509' ' ' ARG . 22.8 p . . . . . 0 N--CA 1.44 -0.94 0 N-CA-C 109.842 -0.429 . . . . 1.32 109.842 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 504' ' ' CYS . . . . . 0.779 ' HB2' ' HB3' ' A' ' 524' ' ' CYS . 35.9 t -52.74 132.75 36.77 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 109.016 -0.735 . . . . 0.47 109.016 174.121 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 505' ' ' VAL . . . . . 0.437 ' O ' HG12 ' A' ' 505' ' ' VAL . 14.1 t -77.62 20.26 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-O 121.825 0.821 . . . . 0.63 109.374 178.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 506' ' ' ASN . . . . . 0.467 ' H ' ' C ' ' A' ' 504' ' ' CYS . 2.4 t-20 -148.76 -37.73 0.17 Allowed 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 115.595 -0.729 . . . . 1.4 112.669 -176.213 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -134.95 -96.23 0.26 Allowed 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 113.772 1.027 . . . . 0.81 113.772 -175.474 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 508' ' ' GLY . . . . . . . . . . . . . . . -124.42 -86.71 0.71 Allowed Glycine 0 C--N 1.335 0.478 0 N-CA-C 115.488 0.955 . . . . 1.2 115.488 -162.329 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 509' ' ' ARG . . . . . 0.743 ' HB2' ' HB2' ' A' ' 524' ' ' CYS . 58.1 mtt85 -47.38 156.16 0.29 Allowed 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 123.837 0.855 . . . . 4.8 112.492 -171.623 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 510' ' ' GLU . . . . . 0.542 ' CD ' ' H ' ' A' ' 510' ' ' GLU . 1.3 pm0 -77.32 19.95 0.31 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.294 -0.867 . . . . 2.82 111.209 -179.247 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 511' ' ' ALA . . . . . 0.428 ' HA ' ' HA ' ' A' ' 524' ' ' CYS . . . 77.35 146.19 0.09 Allowed 'General case' 0 CA--C 1.52 -0.188 0 C-N-CA 123.963 0.905 . . . . 0.69 112.115 174.692 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 46.9 mtt -92.36 -63.7 1.2 Allowed 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.127 -1.064 . . . . 2.04 108.127 176.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 6.6 p -117.84 172.54 7.31 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.181 -0.918 . . . . 0.99 110.428 172.63 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 514' ' ' GLU . . . . . 0.461 ' HB3' ' HA ' ' A' ' 519' ' ' HIS . 29.9 mt-10 -88.72 154.99 19.85 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 108.377 -0.971 . . . . 0.98 108.377 171.352 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 16.7 t -41.45 112.34 0.3 Allowed 'General case' 0 N--CA 1.47 0.557 0 O-C-N 123.517 0.511 . . . . 0.38 110.423 178.368 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 73.9 p -65.42 -4.36 5.58 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 112.671 0.619 . . . . 0.67 112.671 -169.451 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -89.66 -14.65 59.42 Favored Glycine 0 N--CA 1.443 -0.868 0 C-N-CA 120.528 -0.844 . . . . 0.4 112.396 177.528 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 518' ' ' CYS . . . . . 0.502 ' HB2' ' HG3' ' A' ' 520' ' ' LYS . 30.1 p -156.95 -37.15 0.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.317 0.58 . . . . 0.34 112.16 -175.621 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 519' ' ' HIS . . . . . 0.461 ' HA ' ' HB3' ' A' ' 514' ' ' GLU . 10.4 m170 67.96 25.0 7.78 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 114.552 -1.204 . . . . 0.31 110.148 -173.489 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 520' ' ' LYS . . . . . 0.502 ' HG3' ' HB2' ' A' ' 518' ' ' CYS . 7.4 mtpm? -84.99 -10.37 57.1 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 115.861 -0.608 . . . . 2.27 110.781 178.733 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 521' ' ' VAL . . . . . . . . . . . . . 28.4 m -148.43 173.8 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 107.604 -1.258 . . . . 0.41 107.604 -178.053 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -146.34 150.12 35.1 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 120.66 -0.416 . . . . 1.19 111.134 -177.069 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 523' ' ' TYR . . . . . 0.517 ' CD2' ' HB2' ' A' ' 528' ' ' CYS . 93.7 m-85 -136.23 148.51 48.09 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.864 -0.607 . . . . 0.89 110.181 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 524' ' ' CYS . . . . . 0.779 ' HB3' ' HB2' ' A' ' 504' ' ' CYS . 20.3 p -57.09 -47.41 81.09 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.151 0.501 . . . . 0.36 111.062 -176.189 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 525' ' ' SER . . . . . 0.414 ' HB3' ' CE2' ' A' ' 527' ' ' PHE . 23.1 t -126.5 -177.93 4.17 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.524 -0.762 . . . . 1.18 110.495 179.463 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 21.9 m -70.59 -37.67 73.93 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.241 0.46 . . . . 0.46 112.241 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 527' ' ' PHE . . . . . 0.414 ' CE2' ' HB3' ' A' ' 525' ' ' SER . 32.1 p90 -58.59 -42.54 88.31 Favored 'General case' 0 N--CA 1.462 0.153 0 N-CA-C 112.451 0.537 . . . . 0.44 112.451 -171.379 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 528' ' ' CYS . . . . . 0.517 ' HB2' ' CD2' ' A' ' 523' ' ' TYR . 0.0 OUTLIER -65.99 -35.06 79.54 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-O 121.133 0.492 . . . . 0.55 110.847 -179.516 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 529' ' ' GLN . . . . . 0.614 ' O ' ' HB3' ' A' ' 533' ' ' TRP . 8.5 tt0 -63.37 -43.24 98.21 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 115.487 -0.779 . . . . 2.38 109.495 -175.763 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 530' ' ' ARG . . . . . 0.492 ' HA ' ' HD3' ' A' ' 530' ' ' ARG . 11.4 mmt180 -77.15 -46.39 23.57 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.476 -0.784 . . . . 3.94 112.323 178.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 48.9 mtpt -56.99 -57.39 12.76 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 121.349 0.595 . . . . 3.15 111.374 -178.574 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 532' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.57 -24.12 67.01 Favored 'General case' 0 CA--C 1.508 -0.642 0 CA-C-N 115.389 -0.823 . . . . 2.61 112.23 -176.159 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 533' ' ' TRP . . . . . 1.098 ' HA ' ' HB3' ' A' ' 536' ' ' HIS . 0.0 OUTLIER -73.55 -6.27 45.47 Favored 'General case' 0 N--CA 1.436 -1.133 0 CA-C-N 115.944 -0.571 . . . . 0.62 110.761 -175.864 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 534' ' ' LYS . . . . . 0.623 ' HE2' ' HA ' ' A' ' 534' ' ' LYS . 11.0 mmmm -67.56 -16.13 64.02 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 119.131 -1.028 . . . . 2.1 109.513 175.103 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 535' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -104.78 -40.46 5.96 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 114.747 -1.115 . . . . 2.04 109.744 167.145 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 536' ' ' HIS . . . . . 1.098 ' HB3' ' HA ' ' A' ' 533' ' ' TRP . 28.5 t60 -62.73 -26.38 68.66 Favored 'General case' 0 CA--C 1.55 0.954 0 N-CA-C 113.233 0.827 . . . . 0.51 113.233 -179.441 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 537' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -45.65 -29.11 1.14 Allowed 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 122.946 0.498 . . . . 1.3 111.596 176.32 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 538' ' ' HIS . . . . . . . . . . . . . 26.3 m80 -70.23 -24.99 63.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.894 -0.594 . . . . 0.72 111.668 -179.573 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 539' ' ' ILE . . . . . . . . . . . . . 28.4 pt -119.79 4.54 6.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 120.78 0.324 . . . . 1.42 111.081 -170.192 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 3.4 t . . . . . 0 N--CA 1.448 -0.56 0 N-CA-C 109.5 -0.556 . . . . 0.62 109.5 179.104 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 503' ' ' SER . . . . . 0.655 ' HB2' ' O ' ' A' ' 509' ' ' ARG . 32.2 p . . . . . 0 N--CA 1.444 -0.734 0 CA-C-O 120.82 0.343 . . . . 1.32 110.078 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 504' ' ' CYS . . . . . 0.919 ' HB2' ' HB3' ' A' ' 524' ' ' CYS . 45.4 t -92.91 132.17 37.27 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 108.524 -0.917 . . . . 0.47 108.524 171.379 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 505' ' ' VAL . . . . . 0.567 ' HB ' ' CE1' ' A' ' 523' ' ' TYR . 2.7 t -80.86 12.18 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 121.324 0.583 . . . . 0.63 109.71 178.193 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 506' ' ' ASN . . . . . 0.489 ' HB3' ' HB3' ' A' ' 528' ' ' CYS . 11.8 t-20 -131.89 -39.12 1.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 1.4 111.214 -178.438 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 507' ' ' CYS . . . . . 0.425 ' HB2' ' H ' ' A' ' 508' ' ' GLY . 0.6 OUTLIER -122.14 -96.33 0.47 Allowed 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.456 -0.572 . . . . 0.81 109.456 176.354 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 508' ' ' GLY . . . . . 0.425 ' H ' ' HB2' ' A' ' 507' ' ' CYS . . . 162.74 52.58 0.02 OUTLIER Glycine 0 N--CA 1.443 -0.862 0 C-N-CA 120.19 -1.005 . . . . 1.2 114.567 171.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 509' ' ' ARG . . . . . 1.107 ' HB3' ' HB2' ' A' ' 524' ' ' CYS . 1.6 tpt180 -104.77 159.86 15.44 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 106.244 -1.762 . . . . 4.8 106.244 161.499 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -64.2 10.87 0.05 Allowed 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 115.593 1.701 . . . . 2.82 115.593 -162.137 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 511' ' ' ALA . . . . . 0.572 ' HA ' ' HA ' ' A' ' 524' ' ' CYS . . . 67.83 142.28 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 121.619 0.724 . . . . 0.69 111.877 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 81.2 mtp -114.43 -66.77 1.05 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.058 -0.519 . . . . 2.04 109.843 179.014 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 7.2 p -117.52 172.52 7.28 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.668 0.747 . . . . 0.99 111.177 175.045 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 514' ' ' GLU . . . . . 0.528 ' HB3' ' HA ' ' A' ' 519' ' ' HIS . 29.2 mt-10 -98.22 154.01 18.08 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 114.65 -1.159 . . . . 0.98 110.024 179.257 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 12.0 t -41.73 112.9 0.36 Allowed 'General case' 0 N--CA 1.468 0.439 0 O-C-N 123.829 0.706 . . . . 0.38 111.13 178.063 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 18.6 p -66.53 5.35 0.6 Allowed 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 113.167 0.803 . . . . 0.67 113.167 -172.142 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -97.58 -15.34 37.76 Favored Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 120.56 -0.829 . . . . 0.4 112.249 175.374 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 30.2 p -157.03 -34.73 0.08 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.52 0.676 . . . . 0.34 112.07 -174.471 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 519' ' ' HIS . . . . . 0.528 ' HA ' ' HB3' ' A' ' 514' ' ' GLU . 9.4 m170 60.9 32.06 20.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 114.628 -1.169 . . . . 0.31 109.926 -171.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 61.9 mtpt -90.07 -10.22 45.56 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.714 -0.676 . . . . 2.27 110.366 177.333 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 521' ' ' VAL . . . . . . . . . . . . . 27.0 m -145.57 167.18 9.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 107.117 -1.438 . . . . 0.41 107.117 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 522' ' ' ASN . . . . . 0.485 ' O ' HG23 ' A' ' 505' ' ' VAL . 8.5 p30 -144.76 150.83 37.9 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 120.88 0.371 . . . . 1.19 110.661 -177.493 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 523' ' ' TYR . . . . . 0.648 ' HB3' ' HB2' ' A' ' 528' ' ' CYS . 87.5 m-85 -137.54 157.99 45.34 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.961 -0.563 . . . . 0.89 110.651 -176.473 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 524' ' ' CYS . . . . . 1.107 ' HB2' ' HB3' ' A' ' 509' ' ' ARG . 13.0 p -64.39 -42.18 96.27 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.427 0.632 . . . . 0.36 110.597 -175.32 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 17.3 m -126.77 177.33 6.64 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.14 -0.937 . . . . 1.18 111.234 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 13.4 m -71.03 -41.51 70.74 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.276 0.473 . . . . 0.46 112.276 177.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 527' ' ' PHE . . . . . . . . . . . . . 45.2 p90 -58.9 -33.86 71.02 Favored 'General case' 0 C--N 1.333 -0.113 0 C-N-CA 120.993 -0.283 . . . . 0.44 111.416 -175.164 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 528' ' ' CYS . . . . . 0.648 ' HB2' ' HB3' ' A' ' 523' ' ' TYR . 0.5 OUTLIER -60.69 -41.4 95.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.804 0.335 . . . . 0.55 110.936 177.939 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 529' ' ' GLN . . . . . 0.559 ' O ' ' HB3' ' A' ' 533' ' ' TRP . 37.3 tt0 -60.77 -43.23 98.31 Favored 'General case' 0 C--O 1.218 -0.561 0 N-CA-C 108.819 -0.808 . . . . 2.38 108.819 -177.248 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 66.9 mtp180 -74.69 -46.82 35.27 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.024 -0.989 . . . . 3.94 111.679 -178.46 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -59.48 -55.24 37.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.836 -0.62 . . . . 3.15 111.182 -177.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 532' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -63.17 -33.35 75.27 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.097 -0.956 . . . . 2.61 111.67 -178.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 533' ' ' TRP . . . . . 1.045 ' HA ' ' HB3' ' A' ' 536' ' ' HIS . 0.0 OUTLIER -63.89 -10.01 18.41 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.277 -0.874 . . . . 0.62 112.321 -168.299 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 534' ' ' LYS . . . . . 0.415 ' HA ' ' HD3' ' A' ' 534' ' ' LYS . 58.8 mmtt -63.15 -20.07 65.06 Favored 'General case' 0 C--N 1.319 -0.743 0 O-C-N 121.277 -0.889 . . . . 2.1 109.463 174.685 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 535' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -99.81 -44.83 5.94 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.141 -0.936 . . . . 2.04 109.473 169.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 536' ' ' HIS . . . . . 1.045 ' HB3' ' HA ' ' A' ' 533' ' ' TRP . 58.2 t60 -61.49 -31.75 71.74 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 113.823 1.045 . . . . 0.51 113.823 -178.247 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 537' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -46.58 -31.39 2.78 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.224 0.609 . . . . 1.3 112.176 -178.736 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 538' ' ' HIS . . . . . . . . . . . . . 51.9 m-70 -72.12 -16.65 62.0 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.94 -0.573 . . . . 0.72 111.548 -177.21 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 539' ' ' ILE . . . . . . . . . . . . . 27.1 pt -120.46 0.32 7.51 Favored 'Isoleucine or valine' 0 C--O 1.237 0.407 0 C-N-CA 120.761 -0.375 . . . . 1.42 111.682 -175.686 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 4.1 t . . . . . 0 N--CA 1.45 -0.469 0 CA-C-O 121.17 0.51 . . . . 0.62 109.962 -179.229 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 503' ' ' SER . . . . . 0.645 ' HA ' ' HA ' ' A' ' 510' ' ' GLU . 67.4 m . . . . . 0 N--CA 1.44 -0.974 0 N-CA-C 105.734 -1.95 . . . . 1.32 105.734 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 504' ' ' CYS . . . . . 0.802 ' HB2' ' HB3' ' A' ' 524' ' ' CYS . 46.4 t -53.04 111.35 0.66 Allowed 'General case' 0 N--CA 1.441 -0.913 0 C-N-CA 118.764 -1.174 . . . . 0.47 108.612 167.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 39.9 t -67.6 -4.42 2.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-O 121.711 0.767 . . . . 0.63 109.277 178.452 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 506' ' ' ASN . . . . . 0.445 ' HB3' ' SG ' ' A' ' 504' ' ' CYS . 6.5 t30 -106.7 -43.03 4.81 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.422 -0.808 . . . . 1.4 111.843 -176.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -138.18 -82.44 0.32 Allowed 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 113.981 1.104 . . . . 0.81 113.981 -176.719 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 508' ' ' GLY . . . . . . . . . . . . . . . -117.2 -112.39 2.64 Favored Glycine 0 C--N 1.335 0.493 0 N-CA-C 116.105 1.202 . . . . 1.2 116.105 -159.355 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 509' ' ' ARG . . . . . 0.427 HH11 ' HD3' ' A' ' 509' ' ' ARG . 0.0 OUTLIER -66.66 -178.77 0.75 Allowed 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 114.747 -0.726 . . . . 4.8 111.858 -169.918 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 510' ' ' GLU . . . . . 0.645 ' HA ' ' HA ' ' A' ' 503' ' ' SER . 8.6 pt-20 -56.98 -50.34 72.98 Favored 'General case' 0 N--CA 1.462 0.16 0 N-CA-C 112.131 0.419 . . . . 2.82 112.131 -167.858 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 511' ' ' ALA . . . . . 0.533 ' HB2' ' HB2' ' A' ' 522' ' ' ASN . . . 161.15 166.37 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 123.782 0.676 . . . . 0.69 111.161 -178.359 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 67.2 mtt -105.04 -61.68 1.44 Allowed 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 107.838 -1.171 . . . . 2.04 107.838 164.653 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 19.6 m -118.8 170.92 8.59 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.403 -0.817 . . . . 0.99 110.389 172.018 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 514' ' ' GLU . . . . . 0.574 ' HG2' ' HB3' ' A' ' 522' ' ' ASN . 36.5 mt-10 -101.84 156.95 17.2 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 108.57 -0.9 . . . . 0.98 108.57 171.404 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 515' ' ' CYS . . . . . 0.447 ' HB2' HG23 ' A' ' 521' ' ' VAL . 35.8 t -39.16 108.87 0.09 Allowed 'General case' 0 C--O 1.217 -0.635 0 O-C-N 124.012 0.82 . . . . 0.38 111.347 -176.189 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 32.9 p -63.15 1.23 0.49 Allowed 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.345 0.869 . . . . 0.67 113.345 -169.749 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -99.32 -11.99 43.39 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.684 -0.77 . . . . 0.4 113.03 176.091 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 24.8 p -161.52 -34.75 0.05 OUTLIER 'General case' 0 CA--C 1.534 0.33 0 CA-C-O 121.542 0.686 . . . . 0.34 111.583 -174.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 519' ' ' HIS . . . . . 0.489 ' HB3' ' HB2' ' A' ' 514' ' ' GLU . 0.2 OUTLIER 66.98 32.43 6.37 Favored 'General case' 0 C--O 1.224 -0.268 0 C-N-CA 124.985 1.314 . . . . 0.31 110.099 -176.266 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 51.5 mttp -85.59 -11.82 53.04 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.291 -0.413 . . . . 2.27 111.15 176.689 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 521' ' ' VAL . . . . . 0.447 HG23 ' HB2' ' A' ' 515' ' ' CYS . 10.5 m -141.29 159.19 22.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 107.475 -1.306 . . . . 0.41 107.475 -177.203 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 522' ' ' ASN . . . . . 0.574 ' HB3' ' HG2' ' A' ' 514' ' ' GLU . 3.0 p-10 -137.48 145.61 43.26 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 121.299 0.571 . . . . 1.19 111.28 -172.104 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 523' ' ' TYR . . . . . 0.892 ' HB3' ' HB2' ' A' ' 528' ' ' CYS . 84.9 m-85 -138.71 147.95 43.36 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 114.947 -1.024 . . . . 0.89 110.192 -172.695 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 524' ' ' CYS . . . . . 0.802 ' HB3' ' HB2' ' A' ' 504' ' ' CYS . 11.6 p -69.43 -36.95 77.16 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 115.39 -0.823 . . . . 0.36 111.166 -174.468 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 45.4 m -127.37 177.57 6.63 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.942 -0.572 . . . . 1.18 111.21 175.712 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 69.1 m -70.93 -41.59 70.99 Favored 'General case' 0 C--O 1.236 0.355 0 N-CA-C 112.249 0.463 . . . . 0.46 112.249 178.38 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 527' ' ' PHE . . . . . . . . . . . . . 43.1 p90 -58.72 -34.78 71.72 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 120.986 -0.286 . . . . 0.44 110.942 -176.423 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 528' ' ' CYS . . . . . 0.892 ' HB2' ' HB3' ' A' ' 523' ' ' TYR . 2.1 m -56.55 -46.85 80.45 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-O 121.244 0.545 . . . . 0.55 110.907 178.405 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 529' ' ' GLN . . . . . 0.796 ' O ' ' HB3' ' A' ' 533' ' ' TRP . 14.7 tt0 -62.57 -44.19 96.95 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 114.995 -1.002 . . . . 2.38 109.214 -175.175 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 530' ' ' ARG . . . . . 0.573 ' O ' ' HE2' ' A' ' 534' ' ' LYS . 37.8 mtp180 -74.73 -33.81 62.43 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 114.955 -1.021 . . . . 3.94 111.713 -175.572 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 531' ' ' LYS . . . . . 0.711 ' O ' ' HG2' ' A' ' 534' ' ' LYS . 66.6 mttm -77.67 -52.79 8.41 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.029 0.381 . . . . 3.15 112.029 -176.753 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 532' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -66.77 -27.23 67.42 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.344 0.593 . . . . 2.61 111.114 -176.52 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 533' ' ' TRP . . . . . 0.796 ' HB3' ' O ' ' A' ' 529' ' ' GLN . 0.0 OUTLIER -71.24 0.28 8.28 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.639 -0.709 . . . . 0.62 112.329 -171.355 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 534' ' ' LYS . . . . . 0.711 ' HG2' ' O ' ' A' ' 531' ' ' LYS . 65.4 mmtt -60.38 -28.57 68.31 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 108.349 -0.982 . . . . 2.1 108.349 173.719 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 535' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -85.1 -45.43 12.09 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 114.613 -1.176 . . . . 2.04 109.819 173.524 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 536' ' ' HIS . . . . . 0.771 ' HB3' ' HA ' ' A' ' 533' ' ' TRP . 37.9 t60 -67.79 -31.84 72.0 Favored 'General case' 0 CA--C 1.551 1.003 0 N-CA-C 114.164 1.172 . . . . 0.51 114.164 -176.058 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 537' ' ' GLN . . . . . . . . . . . . . 30.1 pt20 -50.08 -25.6 3.62 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.136 0.575 . . . . 1.3 112.182 -177.076 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 538' ' ' HIS . . . . . . . . . . . . . 53.0 m80 -74.7 -17.29 60.69 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.066 -0.516 . . . . 0.72 111.053 -177.807 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 539' ' ' ILE . . . . . 0.437 HG12 ' O ' ' A' ' 536' ' ' HIS . 29.0 pt -120.87 -7.59 10.26 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 C-N-CA 120.581 -0.448 . . . . 1.42 110.873 -172.48 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 4.7 t . . . . . 0 N--CA 1.447 -0.622 0 CA-C-O 121.478 0.656 . . . . 0.62 110.153 -177.635 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 503' ' ' SER . . . . . 0.744 ' HA ' ' HA ' ' A' ' 510' ' ' GLU . 23.3 m . . . . . 0 N--CA 1.444 -0.758 0 N-CA-C 106.889 -1.523 . . . . 1.32 106.889 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 504' ' ' CYS . . . . . 0.65 ' HB2' ' HB3' ' A' ' 524' ' ' CYS . 49.1 t -48.88 119.47 3.2 Favored 'General case' 0 N--CA 1.443 -0.79 0 C-N-CA 119.028 -1.069 . . . . 0.47 109.1 171.491 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 505' ' ' VAL . . . . . 0.434 ' O ' HG12 ' A' ' 505' ' ' VAL . 21.3 t -76.17 19.87 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-O 122.05 0.929 . . . . 0.63 109.38 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 506' ' ' ASN . . . . . 0.519 ' H ' ' C ' ' A' ' 504' ' ' CYS . 3.0 t-20 -139.0 -40.91 0.48 Allowed 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 115.265 -0.879 . . . . 1.4 112.438 -179.161 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -137.26 -87.45 0.29 Allowed 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 114.076 1.139 . . . . 0.81 114.076 -174.78 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 508' ' ' GLY . . . . . . . . . . . . . . . -112.47 -115.06 3.36 Favored Glycine 0 N--CA 1.451 -0.334 0 N-CA-C 115.445 0.938 . . . . 1.2 115.445 -159.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 509' ' ' ARG . . . . . . . . . . . . . 52.5 mtm180 -65.07 -178.83 0.49 Allowed 'General case' 0 CA--C 1.517 -0.29 0 C-N-CA 123.065 0.546 . . . . 4.8 111.581 -169.579 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 510' ' ' GLU . . . . . 0.744 ' HA ' ' HA ' ' A' ' 503' ' ' SER . 9.6 pt-20 -58.62 -49.0 79.11 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.415 0.524 . . . . 2.82 112.415 -168.083 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 511' ' ' ALA . . . . . 0.479 ' HB2' ' O ' ' A' ' 510' ' ' GLU . . . 164.87 156.82 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 123.547 0.529 . . . . 0.69 111.376 -176.047 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 27.2 ttt -100.14 -62.96 1.17 Allowed 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.016 -1.105 . . . . 2.04 108.016 167.542 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 27.4 p -118.66 172.22 7.65 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.606 -0.725 . . . . 0.99 110.624 170.625 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 514' ' ' GLU . . . . . 0.417 ' HB2' ' HB3' ' A' ' 519' ' ' HIS . 41.7 mt-10 -102.71 157.79 16.7 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 108.774 -0.824 . . . . 0.98 108.774 170.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 515' ' ' CYS . . . . . 0.483 ' HB2' HG23 ' A' ' 521' ' ' VAL . 45.7 t -38.75 109.24 0.1 Allowed 'General case' 0 N--CA 1.47 0.528 0 O-C-N 124.05 0.844 . . . . 0.38 111.552 -178.782 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 15.6 p -73.84 34.56 0.09 Allowed 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 113.084 0.772 . . . . 0.67 113.084 -170.372 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 517' ' ' GLY . . . . . 0.404 ' H ' ' C ' ' A' ' 515' ' ' CYS . . . -132.8 -4.31 3.43 Favored Glycine 0 N--CA 1.443 -0.878 0 N-CA-C 111.099 -0.8 . . . . 0.4 111.099 171.019 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 21.1 p -164.39 -38.19 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.396 0 CA-C-O 121.566 0.698 . . . . 0.34 110.778 -176.31 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 519' ' ' HIS . . . . . 0.417 ' HB3' ' HB2' ' A' ' 514' ' ' GLU . 0.2 OUTLIER 67.26 38.84 3.2 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 114.348 -1.296 . . . . 0.31 109.899 -175.614 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 21.8 mtpp -97.6 -7.66 30.65 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-N 115.897 -0.592 . . . . 2.27 112.023 176.616 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 521' ' ' VAL . . . . . 0.483 HG23 ' HB2' ' A' ' 515' ' ' CYS . 19.2 m -140.74 162.13 23.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 107.216 -1.402 . . . . 0.41 107.216 178.615 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 -148.06 145.7 28.55 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-O 121.367 0.603 . . . . 1.19 111.35 -171.121 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 523' ' ' TYR . . . . . 0.701 ' HB3' ' HB2' ' A' ' 528' ' ' CYS . 96.1 m-85 -139.63 159.28 42.54 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 115.191 -0.913 . . . . 0.89 109.856 -179.248 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 524' ' ' CYS . . . . . 0.65 ' HB3' ' HB2' ' A' ' 504' ' ' CYS . 17.1 p -67.77 -43.89 78.77 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.265 0.555 . . . . 0.36 110.825 -174.783 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 9.3 t -125.25 179.48 5.06 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.521 -0.763 . . . . 1.18 110.425 179.112 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 30.5 m -70.32 -41.57 73.08 Favored 'General case' 0 C--O 1.235 0.322 0 N-CA-C 112.354 0.502 . . . . 0.46 112.354 -178.186 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 527' ' ' PHE . . . . . . . . . . . . . 46.6 p90 -58.23 -37.46 74.93 Favored 'General case' 0 N--CA 1.463 0.182 0 N-CA-C 111.689 0.255 . . . . 0.44 111.689 -173.187 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 528' ' ' CYS . . . . . 0.701 ' HB2' ' HB3' ' A' ' 523' ' ' TYR . 0.5 OUTLIER -57.86 -43.94 86.29 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.222 0.534 . . . . 0.55 111.071 -179.563 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 529' ' ' GLN . . . . . 0.723 ' O ' ' HB3' ' A' ' 533' ' ' TRP . 28.2 tp60 -67.1 -40.1 86.85 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.277 -0.874 . . . . 2.38 109.836 -174.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 7.2 ttm180 -71.23 -36.81 71.97 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.679 -0.691 . . . . 3.94 110.538 -179.489 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 531' ' ' LYS . . . . . 0.488 ' O ' ' HG2' ' A' ' 534' ' ' LYS . 9.2 mtpm? -69.58 -60.37 2.37 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.169 0.509 . . . . 3.15 111.701 -179.253 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 532' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -83.4 -15.54 49.36 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 113.385 0.883 . . . . 2.61 113.385 -164.13 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 533' ' ' TRP . . . . . 0.723 ' HB3' ' O ' ' A' ' 529' ' ' GLN . 0.0 OUTLIER -72.14 3.8 4.18 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 111.868 0.322 . . . . 0.62 111.868 -178.422 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 534' ' ' LYS . . . . . 0.488 ' HG2' ' O ' ' A' ' 531' ' ' LYS . 1.2 mmpp? -50.15 -32.06 15.12 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 120.739 0.304 . . . . 2.1 111.162 177.01 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 535' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -86.58 -32.32 20.72 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.531 0.681 . . . . 2.04 110.797 177.191 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 536' ' ' HIS . . . . . 0.432 ' O ' HG12 ' A' ' 539' ' ' ILE . 43.2 t60 -79.09 -33.22 44.68 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.139 -0.937 . . . . 0.51 112.829 -174.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 537' ' ' GLN . . . . . 0.522 ' HB3' ' CE2' ' A' ' 533' ' ' TRP . 19.7 pt20 -50.77 -24.59 3.57 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-O 121.097 0.475 . . . . 1.3 111.939 -177.556 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 538' ' ' HIS . . . . . . . . . . . . . 26.0 m-70 -75.23 -17.08 60.41 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.617 -0.719 . . . . 0.72 111.541 -177.728 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 539' ' ' ILE . . . . . 0.432 HG12 ' O ' ' A' ' 536' ' ' HIS . 27.9 pt -120.27 -10.65 10.25 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 C-N-CA 120.64 -0.424 . . . . 1.42 110.99 -173.44 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 4.6 t -64.86 139.81 58.8 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-O 121.567 0.698 . . . . 0.62 110.256 -178.031 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . 110.24 -15.29 30.46 Favored Glycine 0 C--N 1.309 -0.934 0 CA-C-N 114.732 -1.122 . . . . 2.02 111.165 -178.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -110.44 119.47 39.3 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.209 -0.495 . . . . 6.33 109.791 178.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 8.7 t -82.8 72.32 9.88 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.185 0.517 . . . . 6.92 110.074 -178.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 544' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.856 0 CA-C-O 118.806 -0.616 . . . . 8.83 109.748 177.878 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 503' ' ' SER . . . . . 0.463 ' HA ' ' HA ' ' A' ' 510' ' ' GLU . 20.6 m . . . . . 0 N--CA 1.444 -0.756 0 N-CA-C 106.385 -1.709 . . . . 1.32 106.385 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 504' ' ' CYS . . . . . 0.747 ' HB2' ' HB3' ' A' ' 524' ' ' CYS . 40.3 t -49.54 120.23 4.01 Favored 'General case' 0 N--CA 1.446 -0.627 0 C-N-CA 119.469 -0.892 . . . . 0.47 108.831 168.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 505' ' ' VAL . . . . . 0.435 ' O ' HG12 ' A' ' 505' ' ' VAL . 16.1 t -75.95 19.46 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 121.966 0.889 . . . . 0.63 109.865 179.778 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 506' ' ' ASN . . . . . 0.615 ' HB3' ' HB3' ' A' ' 528' ' ' CYS . 6.9 t30 -138.28 -43.33 0.51 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.693 -0.685 . . . . 1.4 112.249 -176.687 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -148.1 -89.06 0.08 Allowed 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 114.353 1.242 . . . . 0.81 114.353 -176.631 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 508' ' ' GLY . . . . . . . . . . . . . . . -83.18 -130.3 1.59 Allowed Glycine 0 C--N 1.333 0.416 0 N-CA-C 115.676 1.03 . . . . 1.2 115.676 -160.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 509' ' ' ARG . . . . . 0.433 ' HB3' ' H ' ' A' ' 510' ' ' GLU . 30.9 mtt-85 -75.43 -162.89 0.21 Allowed 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 113.115 0.783 . . . . 4.8 113.115 -170.351 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 510' ' ' GLU . . . . . 0.463 ' HA ' ' HA ' ' A' ' 503' ' ' SER . 0.2 OUTLIER -57.11 -50.81 71.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.133 -0.94 . . . . 2.82 112.511 -163.376 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 511' ' ' ALA . . . . . 0.44 ' HB2' ' O ' ' A' ' 510' ' ' GLU . . . 170.77 153.56 0.06 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.032 0.444 . . . . 0.69 111.42 -175.787 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 17.7 tpt -110.99 -72.2 0.73 Allowed 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 107.831 -1.174 . . . . 2.04 107.831 169.026 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 21.7 p -118.3 171.98 7.76 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-O 121.53 0.681 . . . . 0.99 110.375 169.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 514' ' ' GLU . . . . . 0.466 ' HB2' ' CG ' ' A' ' 519' ' ' HIS . 4.2 mt-10 -97.36 154.85 17.18 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 114.999 -1.0 . . . . 0.98 109.138 172.31 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 515' ' ' CYS . . . . . 0.501 ' HA ' ' OE1' ' A' ' 529' ' ' GLN . 10.8 t -40.41 111.41 0.2 Allowed 'General case' 0 N--CA 1.468 0.436 0 O-C-N 123.911 0.757 . . . . 0.38 111.46 177.689 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 44.9 p -71.5 22.46 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.856 0.688 . . . . 0.67 112.856 -173.311 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 517' ' ' GLY . . . . . 0.407 ' H ' ' C ' ' A' ' 515' ' ' CYS . . . -114.17 -13.92 9.56 Favored Glycine 0 N--CA 1.442 -0.933 0 N-CA-C 111.506 -0.638 . . . . 0.4 111.506 171.035 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 24.1 p -158.99 -39.41 0.06 Allowed 'General case' 0 CA--C 1.535 0.392 0 CA-C-O 121.412 0.625 . . . . 0.34 111.484 -175.509 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 519' ' ' HIS . . . . . 0.466 ' CG ' ' HB2' ' A' ' 514' ' ' GLU . 9.7 m170 72.45 23.81 3.07 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 125.066 1.346 . . . . 0.31 110.792 -175.592 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 56.3 mtpt -79.9 -8.07 59.1 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 116.223 -0.444 . . . . 2.27 111.568 178.209 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 521' ' ' VAL . . . . . . . . . . . . . 11.5 m -141.76 163.43 19.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 108.325 -0.991 . . . . 0.41 108.325 -177.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -137.06 143.73 42.8 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 121.339 0.59 . . . . 1.19 110.776 -173.296 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 523' ' ' TYR . . . . . 0.83 ' HB3' ' HB2' ' A' ' 528' ' ' CYS . 79.4 m-85 -139.41 160.47 39.77 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.185 -0.916 . . . . 0.89 109.86 -175.116 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 524' ' ' CYS . . . . . 0.747 ' HB3' ' HB2' ' A' ' 504' ' ' CYS . 13.0 p -76.47 -37.32 57.07 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.982 0.42 . . . . 0.36 110.885 -177.535 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 28.9 t -127.38 179.08 5.66 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.913 -0.585 . . . . 1.18 111.242 174.585 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 18.5 m -72.07 -36.44 69.54 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 122.512 0.325 . . . . 0.46 111.738 177.103 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 527' ' ' PHE . . . . . . . . . . . . . 20.0 p90 -63.05 -33.61 75.8 Favored 'General case' 0 CA--C 1.523 -0.086 0 C-N-CA 120.488 -0.485 . . . . 0.44 110.899 -176.24 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 528' ' ' CYS . . . . . 0.83 ' HB2' ' HB3' ' A' ' 523' ' ' TYR . 1.3 m -58.23 -42.08 85.54 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-O 121.34 0.591 . . . . 0.55 110.801 176.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 529' ' ' GLN . . . . . 0.532 ' HA ' ' CE2' ' A' ' 523' ' ' TYR . 22.0 tt0 -59.42 -49.98 75.72 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-N 114.331 -1.304 . . . . 2.38 109.409 -174.46 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 18.8 mtt180 -78.95 -27.73 43.63 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 114.187 -1.37 . . . . 3.94 112.635 -174.768 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 531' ' ' LYS . . . . . 0.778 ' O ' ' HE2' ' A' ' 534' ' ' LYS . 61.0 mttp -72.08 -59.25 2.84 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.817 0.341 . . . . 3.15 111.002 178.001 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 532' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -57.6 -28.32 63.52 Favored 'General case' 0 CA--C 1.511 -0.531 0 CA-C-O 121.778 0.799 . . . . 2.61 111.319 -177.677 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 533' ' ' TRP . . . . . 1.07 ' HA ' ' HB3' ' A' ' 536' ' ' HIS . 0.0 OUTLIER -64.36 -10.0 21.67 Favored 'General case' 0 N--CA 1.438 -1.058 0 CA-C-N 114.564 -1.198 . . . . 0.62 112.527 -170.101 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 534' ' ' LYS . . . . . 0.778 ' HE2' ' O ' ' A' ' 531' ' ' LYS . 28.5 mtmt -64.23 -15.8 60.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 121.017 -1.052 . . . . 2.1 110.005 176.134 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 535' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -101.78 -43.4 5.85 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.199 -0.91 . . . . 2.04 109.443 168.21 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 536' ' ' HIS . . . . . 1.07 ' HB3' ' HA ' ' A' ' 533' ' ' TRP . 66.6 t60 -62.95 -28.4 70.05 Favored 'General case' 0 CA--C 1.549 0.908 0 CA-C-N 114.683 -1.144 . . . . 0.51 113.658 -177.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 537' ' ' GLN . . . . . 0.418 ' HB3' ' CE2' ' A' ' 533' ' ' TRP . 23.6 pt20 -49.46 -31.9 10.87 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 118.201 0.455 . . . . 1.3 111.624 -178.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 538' ' ' HIS . . . . . . . . . . . . . 48.1 m80 -72.14 -15.65 61.98 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.717 -0.674 . . . . 0.72 111.33 -177.281 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 539' ' ' ILE . . . . . . . . . . . . . 29.3 pt -120.13 0.25 7.65 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.357 0 CA-C-O 120.964 0.412 . . . . 1.42 110.004 -175.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 2.0 t -84.23 149.18 26.29 Favored 'General case' 0 N--CA 1.445 -0.694 0 N-CA-C 109.232 -0.655 . . . . 0.62 109.232 175.787 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . 84.94 -46.66 3.72 Favored Glycine 0 C--N 1.31 -0.9 0 CA-C-N 115.136 -0.938 . . . . 2.02 111.856 177.283 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -74.88 91.91 2.5 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.421 -0.585 . . . . 6.33 109.421 177.483 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 15.1 m -146.89 170.38 17.18 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.647 -0.706 . . . . 6.92 109.933 -177.023 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 544' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.998 0 CA-C-O 118.73 -0.653 . . . . 8.83 110.283 177.54 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 48.9 m . . . . . 0 N--CA 1.444 -0.729 0 N-CA-C 108.242 -1.021 . . . . 1.32 108.242 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 504' ' ' CYS . . . . . 0.883 ' HB2' ' HB3' ' A' ' 524' ' ' CYS . 41.3 t -65.76 106.44 1.51 Allowed 'General case' 0 N--CA 1.441 -0.882 0 N-CA-C 107.794 -1.188 . . . . 0.47 107.794 169.593 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 505' ' ' VAL . . . . . 0.52 ' HB ' ' CE2' ' A' ' 523' ' ' TYR . 26.0 t -69.85 7.74 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 121.95 0.881 . . . . 0.63 110.345 -178.602 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 506' ' ' ASN . . . . . 0.631 ' HB3' ' HB3' ' A' ' 528' ' ' CYS . 25.3 t-20 -120.87 -45.16 2.39 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.787 -0.642 . . . . 1.4 111.977 -179.825 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 507' ' ' CYS . . . . . 0.452 ' N ' ' SG ' ' A' ' 504' ' ' CYS . 0.5 OUTLIER -149.44 -48.44 0.14 Allowed 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 114.971 1.471 . . . . 0.81 114.971 -169.458 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 508' ' ' GLY . . . . . 0.534 ' H ' ' CB ' ' A' ' 504' ' ' CYS . . . -130.72 -122.4 2.4 Favored Glycine 0 CA--C 1.523 0.558 0 C-N-CA 119.582 -1.294 . . . . 1.2 115.727 -163.49 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 509' ' ' ARG . . . . . . . . . . . . . 28.3 mmt180 -87.08 -175.42 5.33 Favored 'General case' 0 C--O 1.22 -0.476 0 N-CA-C 112.951 0.723 . . . . 4.8 112.951 -167.519 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 510' ' ' GLU . . . . . 0.407 ' H ' ' HG2' ' A' ' 510' ' ' GLU . 9.3 pt-20 -75.43 17.44 0.27 Allowed 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 115.263 1.579 . . . . 2.82 115.263 -161.278 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 511' ' ' ALA . . . . . 0.74 ' HA ' ' HA ' ' A' ' 524' ' ' CYS . . . 71.19 135.06 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 121.786 0.803 . . . . 0.69 112.948 174.326 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 62.1 mtt -85.18 -45.93 11.56 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-N 115.211 -0.904 . . . . 2.04 109.338 179.206 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 20.9 p -118.04 171.83 7.82 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.481 -0.781 . . . . 0.99 110.678 172.372 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 514' ' ' GLU . . . . . 0.488 ' OE1' ' HB3' ' A' ' 519' ' ' HIS . 82.9 mt-10 -106.47 149.93 26.58 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-N 115.014 -0.993 . . . . 0.98 108.325 174.296 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 515' ' ' CYS . . . . . 0.461 ' HA ' HE21 ' A' ' 529' ' ' GLN . 6.1 t -39.05 114.18 0.37 Allowed 'General case' 0 C--O 1.219 -0.545 0 O-C-N 124.096 0.873 . . . . 0.38 111.628 -174.673 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 45.6 p -63.63 -3.65 2.4 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 112.988 0.736 . . . . 0.67 112.988 -169.679 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 517' ' ' GLY . . . . . 0.452 ' HA2' ' HB2' ' A' ' 542' ' ' GLN . . . -93.52 -9.2 60.38 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.572 -0.823 . . . . 0.4 112.41 178.268 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 24.5 p -164.62 -38.55 0.03 OUTLIER 'General case' 0 CA--C 1.538 0.494 0 CA-C-O 121.278 0.561 . . . . 0.34 112.027 -175.644 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 519' ' ' HIS . . . . . 0.488 ' HB3' ' OE1' ' A' ' 514' ' ' GLU . 6.6 m170 67.04 29.28 8.07 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 124.99 1.316 . . . . 0.31 110.039 -172.872 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -91.71 -9.51 43.54 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 115.927 -0.579 . . . . 2.27 111.125 178.447 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 521' ' ' VAL . . . . . . . . . . . . . 28.4 m -141.34 170.0 13.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 108.082 -1.081 . . . . 0.41 108.082 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 522' ' ' ASN . . . . . 0.503 ' HB2' ' CB ' ' A' ' 511' ' ' ALA . 27.1 p-10 -148.56 139.55 23.08 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.455 0.645 . . . . 1.19 111.866 -176.251 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 523' ' ' TYR . . . . . 0.742 ' HB3' ' HB2' ' A' ' 528' ' ' CYS . 70.9 m-85 -139.63 142.99 37.01 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.165 -0.925 . . . . 0.89 108.612 176.618 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 524' ' ' CYS . . . . . 0.883 ' HB3' ' HB2' ' A' ' 504' ' ' CYS . 6.2 p -59.44 -41.32 89.34 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 111.96 0.355 . . . . 0.36 111.96 -165.553 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 18.5 t -124.44 175.6 7.02 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.911 -0.586 . . . . 1.18 110.826 -179.589 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 11.0 m -66.16 -42.0 89.59 Favored 'General case' 0 C--O 1.236 0.358 0 O-C-N 122.224 -0.298 . . . . 0.46 111.797 -177.159 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 527' ' ' PHE . . . . . . . . . . . . . 54.3 p90 -62.71 -37.97 88.6 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.864 -0.334 . . . . 0.44 110.843 -175.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 528' ' ' CYS . . . . . 0.742 ' HB2' ' HB3' ' A' ' 523' ' ' TYR . 3.9 m -56.54 -40.86 75.82 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-O 121.192 0.52 . . . . 0.55 110.931 178.358 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 529' ' ' GLN . . . . . 0.653 ' O ' ' HB3' ' A' ' 533' ' ' TRP . 49.0 mt-30 -68.0 -49.68 60.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.608 -0.723 . . . . 2.38 109.955 -177.855 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 65.1 mtp180 -74.08 -26.8 60.57 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.973 -1.012 . . . . 3.94 111.547 -172.185 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 531' ' ' LYS . . . . . 0.491 ' O ' ' HG2' ' A' ' 534' ' ' LYS . 31.9 mmtp -76.35 -51.81 11.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.788 0.328 . . . . 3.15 111.062 178.18 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 532' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.6 -33.33 58.42 Favored 'General case' 0 CA--C 1.509 -0.612 0 N-CA-C 112.662 0.616 . . . . 2.61 112.662 -170.002 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 533' ' ' TRP . . . . . 0.821 ' HH2' ' HA ' ' A' ' 543' ' ' SER . 0.0 OUTLIER -65.8 6.25 0.37 Allowed 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.856 0.687 . . . . 0.62 112.856 -168.427 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 534' ' ' LYS . . . . . 0.491 ' HG2' ' O ' ' A' ' 531' ' ' LYS . 62.0 mmtt -53.53 -21.31 6.18 Favored 'General case' 0 C--N 1.322 -0.606 0 O-C-N 121.866 -0.521 . . . . 2.1 111.445 176.212 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 535' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -99.79 -24.9 14.54 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.519 0.676 . . . . 2.04 110.539 172.819 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 536' ' ' HIS . . . . . 0.618 ' HB3' ' HB2' ' A' ' 533' ' ' TRP . 57.8 t60 -78.72 -29.12 45.16 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.241 -0.891 . . . . 0.51 111.738 -178.334 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 537' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -54.87 -23.47 18.72 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.067 0.461 . . . . 1.3 110.969 177.361 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 538' ' ' HIS . . . . . . . . . . . . . 57.4 m80 -77.03 -20.96 55.28 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.557 -0.747 . . . . 0.72 111.297 -178.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 539' ' ' ILE . . . . . . . . . . . . . 11.8 tt -119.47 -18.85 5.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.128 0.49 . . . . 1.42 110.108 -171.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 2.9 t -69.14 149.94 48.09 Favored 'General case' 0 N--CA 1.442 -0.836 0 CA-C-O 121.493 0.664 . . . . 0.62 109.502 175.305 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -87.1 -42.29 6.33 Favored Glycine 0 C--N 1.314 -0.652 0 CA-C-N 114.652 -1.158 . . . . 2.02 112.208 179.377 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 542' ' ' GLN . . . . . 0.452 ' HB2' ' HA2' ' A' ' 517' ' ' GLY . 28.8 mm-40 -96.71 69.25 2.48 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.825 0.345 . . . . 6.33 110.949 -178.541 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 543' ' ' SER . . . . . 0.821 ' HA ' ' HH2' ' A' ' 533' ' ' TRP . 15.3 m -76.76 77.88 3.38 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.109 -0.496 . . . . 6.92 110.352 177.216 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 544' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.64 -0.695 . . . . 8.83 110.327 -179.442 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 47.6 p . . . . . 0 N--CA 1.44 -0.928 0 N-CA-C 108.873 -0.788 . . . . 1.32 108.873 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 504' ' ' CYS . . . . . 0.591 ' HB2' ' HB3' ' A' ' 524' ' ' CYS . 46.4 t -46.51 131.94 10.84 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 109.476 -0.565 . . . . 0.47 109.476 171.087 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 505' ' ' VAL . . . . . 0.425 ' O ' HG12 ' A' ' 505' ' ' VAL . 13.0 t -75.25 21.44 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 122.034 0.921 . . . . 0.63 109.62 178.395 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 506' ' ' ASN . . . . . 0.524 ' H ' ' C ' ' A' ' 504' ' ' CYS . 2.8 t-20 -145.86 -32.26 0.36 Allowed 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 115.389 -0.823 . . . . 1.4 111.776 -178.278 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 507' ' ' CYS . . . . . 0.474 ' HB2' ' H ' ' A' ' 508' ' ' GLY . 0.0 OUTLIER -140.84 -93.36 0.15 Allowed 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 112.293 0.479 . . . . 0.81 112.293 -176.266 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 508' ' ' GLY . . . . . 0.715 ' O ' ' HB3' ' A' ' 524' ' ' CYS . . . -148.42 -166.83 13.15 Favored Glycine 0 C--O 1.214 -1.142 0 CA-C-O 119.352 -0.693 . . . . 1.2 112.118 -173.524 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 509' ' ' ARG . . . . . 0.437 ' C ' ' H ' ' A' ' 511' ' ' ALA . 1.2 tpm_? 65.76 138.92 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 117.333 0.567 . . . . 4.8 111.064 175.644 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 510' ' ' GLU . . . . . 0.474 ' CD ' ' H ' ' A' ' 510' ' ' GLU . 0.5 OUTLIER -75.95 19.7 0.21 Allowed 'General case' 0 C--N 1.327 -0.402 0 O-C-N 121.349 -0.844 . . . . 2.82 111.395 -179.021 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 511' ' ' ALA . . . . . 0.437 ' H ' ' C ' ' A' ' 509' ' ' ARG . . . 76.51 148.03 0.1 Allowed 'General case' 0 C--O 1.233 0.23 0 C-N-CA 123.902 0.881 . . . . 0.69 112.042 174.802 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 63.9 mtt -100.39 -57.68 2.06 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.47 -0.786 . . . . 2.04 109.016 178.117 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 22.8 m -116.8 172.22 7.38 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.759 -0.655 . . . . 0.99 110.341 171.175 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 514' ' ' GLU . . . . . 0.527 ' HB2' ' CG ' ' A' ' 519' ' ' HIS . 1.2 mt-10 -106.4 162.09 14.0 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.065 -0.97 . . . . 0.98 109.534 177.503 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 515' ' ' CYS . . . . . 0.473 ' HB2' HG23 ' A' ' 521' ' ' VAL . 46.6 t -43.5 107.08 0.08 Allowed 'General case' 0 N--CA 1.468 0.436 0 O-C-N 123.842 0.714 . . . . 0.38 109.676 175.112 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 516' ' ' THR . . . . . 0.584 ' HA ' ' NE2' ' A' ' 519' ' ' HIS . 0.2 OUTLIER -65.66 -2.39 3.53 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 113.52 0.933 . . . . 0.67 113.52 -164.16 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -94.68 -13.01 54.98 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.367 -0.921 . . . . 0.4 112.597 177.196 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 518' ' ' CYS . . . . . 0.406 ' SG ' ' N ' ' A' ' 519' ' ' HIS . 30.8 p -153.46 -42.74 0.09 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.633 0.73 . . . . 0.34 111.529 -174.384 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 519' ' ' HIS . . . . . 0.584 ' NE2' ' HA ' ' A' ' 516' ' ' THR . 6.6 m170 69.38 25.44 5.52 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 114.463 -1.244 . . . . 0.31 109.826 -177.55 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 520' ' ' LYS . . . . . 0.421 ' NZ ' ' HB3' ' A' ' 520' ' ' LYS . 9.4 mtpm? -87.28 -3.27 59.03 Favored 'General case' 0 N--CA 1.461 0.116 0 CA-C-N 115.412 -0.813 . . . . 2.27 110.878 176.511 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 521' ' ' VAL . . . . . 0.473 HG23 ' HB2' ' A' ' 515' ' ' CYS . 13.1 m -146.73 166.05 7.22 Favored 'Isoleucine or valine' 0 C--O 1.237 0.44 0 N-CA-C 107.437 -1.32 . . . . 0.41 107.437 179.627 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -151.49 150.97 31.0 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.362 0.601 . . . . 1.19 111.578 -173.582 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 523' ' ' TYR . . . . . 0.494 ' HB3' ' HB2' ' A' ' 528' ' ' CYS . 71.3 m-85 -139.91 153.67 47.03 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.985 -1.007 . . . . 0.89 110.067 -177.095 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 524' ' ' CYS . . . . . 0.715 ' HB3' ' O ' ' A' ' 508' ' ' GLY . 21.3 p -57.73 -51.4 69.71 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 121.243 0.544 . . . . 0.36 110.579 -177.033 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 525' ' ' SER . . . . . 0.586 ' HB3' ' CE1' ' A' ' 527' ' ' PHE . 20.9 t -127.19 -175.05 3.32 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.396 -0.82 . . . . 1.18 110.591 179.504 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 9.0 m -69.74 -38.54 76.86 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.847 0.684 . . . . 0.46 112.847 -177.427 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 527' ' ' PHE . . . . . 0.586 ' CE1' ' HB3' ' A' ' 525' ' ' SER . 47.5 p90 -58.14 -42.79 86.64 Favored 'General case' 0 N--CA 1.466 0.325 0 N-CA-C 112.031 0.382 . . . . 0.44 112.031 -170.299 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 528' ' ' CYS . . . . . 0.494 ' HB2' ' HB3' ' A' ' 523' ' ' TYR . 0.0 OUTLIER -61.57 -35.94 79.22 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.321 0.581 . . . . 0.55 111.22 -179.721 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 529' ' ' GLN . . . . . 0.743 ' O ' ' HB3' ' A' ' 533' ' ' TRP . 31.2 tt0 -67.05 -45.53 77.11 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 115.075 -0.966 . . . . 2.38 109.066 -176.095 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 530' ' ' ARG . . . . . 0.561 ' O ' ' HE2' ' A' ' 534' ' ' LYS . 89.5 mtt180 -75.3 -41.6 56.59 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.588 -0.733 . . . . 3.94 112.212 -179.318 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 531' ' ' LYS . . . . . 0.444 ' O ' ' HG2' ' A' ' 534' ' ' LYS . 65.4 mttm -70.97 -43.49 67.97 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.409 0.522 . . . . 3.15 112.409 -174.384 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 532' ' ' ASP . . . . . 0.464 ' HB2' ' O ' ' A' ' 528' ' ' CYS . 0.3 OUTLIER -87.06 -22.96 25.11 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 112.869 0.692 . . . . 2.61 112.869 -172.378 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 533' ' ' TRP . . . . . 0.743 ' HB3' ' O ' ' A' ' 529' ' ' GLN . 0.0 OUTLIER -72.89 4.77 3.8 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 112.42 0.526 . . . . 0.62 112.42 -173.576 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 534' ' ' LYS . . . . . 0.561 ' HE2' ' O ' ' A' ' 530' ' ' ARG . 70.3 mmtt -54.65 -24.55 22.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 122.164 -0.335 . . . . 2.1 111.208 179.627 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 535' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -95.89 -31.08 13.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.468 0.651 . . . . 2.04 110.518 174.712 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 536' ' ' HIS . . . . . . . . . . . . . 26.9 t60 -77.46 -29.19 52.64 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 115.6 -0.727 . . . . 0.51 112.057 -176.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 537' ' ' GLN . . . . . 0.453 ' HB3' ' CE2' ' A' ' 533' ' ' TRP . 13.6 pt20 -50.28 -24.73 3.1 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 123.016 0.526 . . . . 1.3 111.592 179.035 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 538' ' ' HIS . . . . . . . . . . . . . 34.4 m80 -78.11 -18.68 55.37 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.474 -0.784 . . . . 0.72 110.943 -177.307 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 539' ' ' ILE . . . . . . . . . . . . . 31.8 pt -119.99 -5.64 10.43 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.313 0 CA-C-O 120.816 0.341 . . . . 1.42 110.777 -172.204 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 5.1 t -71.74 142.45 49.76 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-O 121.546 0.688 . . . . 0.62 110.218 -178.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -91.6 40.28 2.95 Favored Glycine 0 C--N 1.309 -0.961 0 CA-C-N 114.895 -1.048 . . . . 2.02 111.78 175.117 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -79.09 69.4 5.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.512 0.672 . . . . 6.33 111.052 -177.223 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 1.8 p -100.83 -8.16 22.89 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.585 -0.734 . . . . 6.92 109.87 174.562 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 544' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.894 0 CA-C-N 115.456 -0.793 . . . . 8.83 109.956 178.545 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 503' ' ' SER . . . . . 0.636 ' HB2' ' O ' ' A' ' 508' ' ' GLY . 5.0 p . . . . . 0 N--CA 1.437 -1.082 0 N-CA-C 108.525 -0.917 . . . . 1.32 108.525 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 504' ' ' CYS . . . . . 0.745 ' HB2' ' HB3' ' A' ' 524' ' ' CYS . 38.9 t -61.8 122.1 14.54 Favored 'General case' 0 N--CA 1.44 -0.973 0 N-CA-C 108.286 -1.005 . . . . 0.47 108.286 171.697 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 505' ' ' VAL . . . . . 0.424 ' O ' HG12 ' A' ' 505' ' ' VAL . 14.2 t -74.27 20.58 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-O 121.86 0.838 . . . . 0.63 109.258 176.666 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 506' ' ' ASN . . . . . 0.541 ' H ' ' C ' ' A' ' 504' ' ' CYS . 22.6 t-20 -143.01 -38.78 0.34 Allowed 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 115.717 -0.674 . . . . 1.4 112.323 -173.66 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -136.03 -79.44 0.42 Allowed 'General case' 0 N--CA 1.464 0.245 0 C-N-CA 119.897 -0.721 . . . . 0.81 112.62 -175.84 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 508' ' ' GLY . . . . . 0.636 ' O ' ' HB2' ' A' ' 503' ' ' SER . . . -143.48 -94.49 0.19 Allowed Glycine 0 C--O 1.222 -0.605 0 C-N-CA 120.151 -1.023 . . . . 1.2 114.885 -165.281 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 509' ' ' ARG . . . . . 0.629 ' HB2' ' HB2' ' A' ' 524' ' ' CYS . 55.2 mtp180 -51.03 160.11 0.52 Allowed 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 123.92 0.888 . . . . 4.8 113.276 -168.017 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 510' ' ' GLU . . . . . 0.636 ' HA ' ' HA ' ' A' ' 503' ' ' SER . 29.7 mt-10 -73.75 18.26 0.14 Allowed 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.081 -0.963 . . . . 2.82 112.576 -173.085 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 511' ' ' ALA . . . . . 0.588 ' HA ' ' HA ' ' A' ' 524' ' ' CYS . . . 73.36 155.01 0.16 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.42 -0.809 . . . . 0.69 111.647 177.262 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 84.7 mtp -92.44 -63.41 1.23 Allowed 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.085 -1.08 . . . . 2.04 108.085 176.111 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 18.9 p -117.24 171.94 7.63 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 114.906 -1.043 . . . . 0.99 110.054 172.304 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 514' ' ' GLU . . . . . 0.593 ' HB3' ' HA ' ' A' ' 519' ' ' HIS . 49.6 mt-10 -88.89 160.99 16.92 Favored 'General case' 0 C--N 1.317 -0.816 0 N-CA-C 109.202 -0.666 . . . . 0.98 109.202 173.059 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 515' ' ' CYS . . . . . 0.651 ' HA ' ' OE1' ' A' ' 529' ' ' GLN . 44.6 t -40.32 107.83 0.08 Allowed 'General case' 0 C--O 1.221 -0.419 0 O-C-N 124.371 1.044 . . . . 0.38 110.765 179.173 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 39.3 p -58.89 -15.89 14.88 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 113.189 0.811 . . . . 0.67 113.189 -167.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -82.82 -10.91 82.43 Favored Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.481 -0.866 . . . . 0.4 113.226 179.441 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 518' ' ' CYS . . . . . 0.417 ' SG ' ' N ' ' A' ' 519' ' ' HIS . 28.4 p -160.87 -41.14 0.05 OUTLIER 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 117.46 0.63 . . . . 0.34 112.374 -173.599 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 519' ' ' HIS . . . . . 0.593 ' HA ' ' HB3' ' A' ' 514' ' ' GLU . 8.3 m170 71.43 31.35 2.33 Favored 'General case' 0 C--O 1.225 -0.234 0 C-N-CA 124.755 1.222 . . . . 0.31 110.202 -174.618 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -89.28 -9.23 51.36 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.492 -0.776 . . . . 2.27 110.977 175.454 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 521' ' ' VAL . . . . . 0.444 HG23 ' HB2' ' A' ' 515' ' ' CYS . 29.3 m -147.59 178.52 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 N-CA-C 108.152 -1.055 . . . . 0.41 108.152 -178.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 23.8 p-10 -155.72 148.61 24.29 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.251 0.548 . . . . 1.19 111.429 -177.494 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 523' ' ' TYR . . . . . 0.495 ' HB3' ' HB2' ' A' ' 528' ' ' CYS . 88.0 m-85 -138.48 145.48 40.88 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.155 -0.929 . . . . 0.89 109.79 -179.277 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 524' ' ' CYS . . . . . 0.745 ' HB3' ' HB2' ' A' ' 504' ' ' CYS . 22.1 p -50.65 -47.34 58.59 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 121.298 0.571 . . . . 0.36 111.143 -172.717 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 525' ' ' SER . . . . . 0.58 ' HB2' ' CE2' ' A' ' 527' ' ' PHE . 49.2 m -126.6 -178.84 4.51 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.132 -0.94 . . . . 1.18 111.094 175.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 32.1 m -68.06 -38.11 82.08 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.69 0.626 . . . . 0.46 112.69 -178.559 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 527' ' ' PHE . . . . . 0.58 ' CE2' ' HB2' ' A' ' 525' ' ' SER . 47.0 p90 -58.39 -39.77 80.55 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 112.345 0.498 . . . . 0.44 112.345 -170.718 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 528' ' ' CYS . . . . . 0.495 ' HB2' ' HB3' ' A' ' 523' ' ' TYR . 0.0 OUTLIER -63.95 -31.98 73.36 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.678 0.275 . . . . 0.55 111.301 -178.026 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 529' ' ' GLN . . . . . 0.735 ' O ' ' HB3' ' A' ' 533' ' ' TRP . 15.6 tt0 -67.79 -55.35 13.34 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.604 0.716 . . . . 2.38 109.506 -174.017 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 530' ' ' ARG . . . . . 0.632 ' O ' ' HE3' ' A' ' 534' ' ' LYS . 40.0 ptt180 -74.61 -26.23 59.77 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 114.792 -1.094 . . . . 3.94 111.628 -174.006 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 48.0 tptt -78.35 -41.68 32.76 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.297 0.57 . . . . 3.15 111.124 -178.45 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 532' ' ' ASP . . . . . 0.432 ' HB2' ' O ' ' A' ' 528' ' ' CYS . 0.7 OUTLIER -83.34 -30.76 27.21 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.602 -0.727 . . . . 2.61 112.42 -173.274 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 533' ' ' TRP . . . . . 0.735 ' HB3' ' O ' ' A' ' 529' ' ' GLN . 0.0 OUTLIER -67.16 4.96 0.78 Allowed 'General case' 0 C--O 1.214 -0.763 0 N-CA-C 113.884 1.068 . . . . 0.62 113.884 -165.273 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 534' ' ' LYS . . . . . 0.672 ' HD2' ' H ' ' A' ' 534' ' ' LYS . 0.0 OUTLIER -57.74 -20.42 34.6 Favored 'General case' 0 C--N 1.322 -0.59 0 O-C-N 121.162 -0.961 . . . . 2.1 111.444 176.22 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 535' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -97.03 -23.57 16.2 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 121.775 0.798 . . . . 2.04 110.37 173.256 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 536' ' ' HIS . . . . . 0.473 ' HB3' ' HA ' ' A' ' 533' ' ' TRP . 27.0 t60 -86.43 -31.5 21.37 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 115.014 -0.993 . . . . 0.51 112.964 -177.76 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 537' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -45.57 -24.54 0.35 Allowed 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.844 0.858 . . . . 1.3 112.057 179.013 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 538' ' ' HIS . . . . . . . . . . . . . 16.5 m80 -78.46 -21.8 48.52 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.678 -0.692 . . . . 0.72 110.969 -178.568 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 539' ' ' ILE . . . . . . . . . . . . . 33.2 pt -120.59 10.3 6.31 Favored 'Isoleucine or valine' 0 C--O 1.236 0.362 0 CA-C-O 120.949 0.405 . . . . 1.42 111.062 -173.316 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 4.3 t -83.23 119.65 24.83 Favored 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 109.395 -0.594 . . . . 0.62 109.395 179.162 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . 81.42 -47.33 3.6 Favored Glycine 0 C--N 1.32 -0.312 0 CA-C-N 115.351 -0.84 . . . . 2.02 111.278 -178.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -85.55 149.32 25.45 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 108.941 -0.763 . . . . 6.33 108.941 178.529 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 66.6 m -117.15 -41.18 3.02 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-O 120.584 0.231 . . . . 6.92 110.823 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 544' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.254 0 CA-C-O 118.662 -0.685 . . . . 8.83 110.117 178.634 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 503' ' ' SER . . . . . 0.517 ' HB2' ' O ' ' A' ' 508' ' ' GLY . 1.0 OUTLIER . . . . . 0 N--CA 1.442 -0.829 0 N-CA-C 108.833 -0.803 . . . . 1.32 108.833 . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 504' ' ' CYS . . . . . 0.843 ' HB2' ' HB3' ' A' ' 524' ' ' CYS . 45.8 t -87.69 146.9 25.48 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 108.355 -0.979 . . . . 0.47 108.355 166.27 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 505' ' ' VAL . . . . . 0.468 ' O ' HG12 ' A' ' 505' ' ' VAL . 43.1 t -85.78 9.84 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-O 121.603 0.716 . . . . 0.63 109.557 178.342 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 506' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -142.45 -31.45 0.52 Allowed 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 112.81 0.67 . . . . 1.4 112.81 176.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -139.26 -99.77 0.16 Allowed 'General case' 0 N--CA 1.47 0.569 0 O-C-N 121.051 -1.031 . . . . 0.81 113.751 -175.307 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 508' ' ' GLY . . . . . 0.517 ' O ' ' HB2' ' A' ' 503' ' ' SER . . . -115.57 -99.77 2.23 Favored Glycine 0 C--O 1.218 -0.89 0 C-N-CA 120.751 -0.737 . . . . 1.2 114.914 -163.307 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 509' ' ' ARG . . . . . 0.956 ' HB2' ' HB2' ' A' ' 524' ' ' CYS . 0.0 OUTLIER -36.38 151.65 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.964 1.306 . . . . 4.8 113.641 -173.897 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 510' ' ' GLU . . . . . 0.413 ' HA ' ' CA ' ' A' ' 503' ' ' SER . 10.7 pt-20 -68.71 21.37 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 114.759 -1.11 . . . . 2.82 112.935 -175.776 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 511' ' ' ALA . . . . . 0.475 ' H ' ' C ' ' A' ' 509' ' ' ARG . . . 70.41 120.65 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.215 0 O-C-N 123.904 0.753 . . . . 0.69 111.058 -175.073 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 91.3 mtp -86.28 -60.73 1.92 Allowed 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.801 -0.815 . . . . 2.04 108.801 -178.495 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 5.3 p -117.63 155.14 30.39 Favored 'General case' 0 N--CA 1.443 -0.821 0 CA-C-N 115.527 -0.761 . . . . 0.99 110.757 172.414 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 514' ' ' GLU . . . . . 0.545 ' HB2' ' HB3' ' A' ' 519' ' ' HIS . 34.5 mt-10 -90.9 152.72 20.62 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 115.22 -0.9 . . . . 0.98 109.622 176.212 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 41.7 t -38.84 106.77 0.06 Allowed 'General case' 0 N--CA 1.469 0.52 0 O-C-N 124.347 1.029 . . . . 0.38 112.009 -176.287 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 19.1 p -47.51 -31.12 3.99 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 114.522 1.304 . . . . 0.67 114.522 -168.63 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -77.66 -6.64 87.03 Favored Glycine 0 CA--C 1.521 0.462 0 C-N-CA 120.504 -0.855 . . . . 0.4 113.418 -177.035 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 518' ' ' CYS . . . . . 0.49 ' SG ' ' N ' ' A' ' 519' ' ' HIS . 30.7 p -158.44 -48.32 0.06 Allowed 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 117.485 0.643 . . . . 0.34 111.668 -175.23 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 519' ' ' HIS . . . . . 0.545 ' HB3' ' HB2' ' A' ' 514' ' ' GLU . 5.6 m170 72.1 33.82 1.53 Allowed 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 125.131 1.372 . . . . 0.31 109.607 -173.287 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 520' ' ' LYS . . . . . 0.527 ' HE2' ' HB2' ' A' ' 543' ' ' SER . 57.6 mttp -98.74 -0.76 42.08 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.494 -0.775 . . . . 2.27 111.712 176.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 521' ' ' VAL . . . . . . . . . . . . . 26.8 m -139.08 165.37 23.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 107.35 -1.352 . . . . 0.41 107.35 173.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 522' ' ' ASN . . . . . 0.523 ' HB3' ' HG2' ' A' ' 514' ' ' GLU . 0.2 OUTLIER -151.34 119.81 6.45 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.873 0.844 . . . . 1.19 112.134 -175.059 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 523' ' ' TYR . . . . . 0.597 ' HB2' ' HB2' ' A' ' 529' ' ' GLN . 10.3 m-85 -123.38 156.29 35.71 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 114.978 -1.01 . . . . 0.89 109.115 177.557 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 524' ' ' CYS . . . . . 0.956 ' HB2' ' HB2' ' A' ' 509' ' ' ARG . 22.8 p -51.6 -49.03 62.95 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 121.144 0.497 . . . . 0.36 111.26 -174.516 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 525' ' ' SER . . . . . 0.425 ' HB2' ' CE2' ' A' ' 527' ' ' PHE . 5.4 m -126.25 -178.01 4.17 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.348 -0.842 . . . . 1.18 111.227 -177.814 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 22.8 m -70.54 -39.77 73.83 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.523 -0.308 . . . . 0.46 111.646 179.287 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 527' ' ' PHE . . . . . 0.425 ' CE2' ' HB2' ' A' ' 525' ' ' SER . 26.8 p90 -58.09 -49.01 78.43 Favored 'General case' 0 N--CA 1.463 0.196 0 N-CA-C 112.739 0.644 . . . . 0.44 112.739 -170.522 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 528' ' ' CYS . . . . . 0.437 ' SG ' ' HB3' ' A' ' 523' ' ' TYR . 0.8 OUTLIER -70.39 -35.18 73.32 Favored 'General case' 0 N--CA 1.438 -1.059 0 CA-C-O 121.326 0.584 . . . . 0.55 111.203 -175.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 529' ' ' GLN . . . . . 0.68 ' O ' ' HB3' ' A' ' 533' ' ' TRP . 4.7 tt0 -67.73 -37.51 82.3 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.318 -0.856 . . . . 2.38 109.372 -177.715 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 530' ' ' ARG . . . . . 0.545 ' HA ' ' HD3' ' A' ' 530' ' ' ARG . 19.9 mmt-85 -78.62 -34.16 46.84 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.206 -0.906 . . . . 3.94 112.863 176.478 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 531' ' ' LYS . . . . . 0.458 ' O ' ' HG2' ' A' ' 534' ' ' LYS . 43.6 mmtm -71.7 -45.57 61.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 122.002 -0.436 . . . . 3.15 111.415 -178.519 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 532' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -82.06 -8.96 59.69 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.03 -0.532 . . . . 2.61 112.178 -175.345 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 533' ' ' TRP . . . . . 0.68 ' HB3' ' O ' ' A' ' 529' ' ' GLN . 0.0 OUTLIER -74.27 4.64 5.45 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.418 -0.356 . . . . 0.62 111.696 -176.435 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 534' ' ' LYS . . . . . 0.711 ' HE2' ' HA ' ' A' ' 534' ' ' LYS . 9.7 mmpt? -52.12 -29.4 21.68 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 120.837 0.351 . . . . 2.1 111.523 -179.172 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 535' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -93.65 -22.72 18.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.699 0.762 . . . . 2.04 110.388 175.279 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 536' ' ' HIS . . . . . 0.419 ' HB3' ' HA ' ' A' ' 533' ' ' TRP . 59.8 t60 -87.0 -25.92 24.03 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 115.483 -0.781 . . . . 0.51 112.193 -173.535 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 537' ' ' GLN . . . . . 0.615 ' HB3' ' CE2' ' A' ' 533' ' ' TRP . 3.9 pt20 -54.53 -23.24 15.67 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 121.548 0.69 . . . . 1.3 110.737 178.656 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 538' ' ' HIS . . . . . . . . . . . . . 29.8 m80 -76.49 -16.48 59.64 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.794 -1.094 . . . . 0.72 111.505 -178.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 539' ' ' ILE . . . . . . . . . . . . . 15.4 tt -121.35 -10.53 9.34 Favored 'Isoleucine or valine' 0 C--O 1.233 0.197 0 CA-C-O 121.29 0.567 . . . . 1.42 110.852 -174.002 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 1.8 t -69.99 139.63 52.8 Favored 'General case' 0 N--CA 1.446 -0.655 0 C-N-CA 119.871 -0.732 . . . . 0.62 109.817 179.328 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . 93.2 -7.41 75.86 Favored Glycine 0 C--N 1.314 -0.639 0 CA-C-N 114.786 -1.097 . . . . 2.02 111.981 -179.194 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -100.62 154.05 18.9 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 110.379 -0.23 . . . . 6.33 110.379 -178.201 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 543' ' ' SER . . . . . 0.527 ' HB2' ' HE2' ' A' ' 520' ' ' LYS . 14.8 m 58.88 39.45 23.84 Favored 'General case' 0 C--N 1.329 -0.325 0 O-C-N 123.717 0.636 . . . . 6.92 110.95 179.053 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 544' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.837 0 CA-C-O 118.725 -0.655 . . . . 8.83 110.33 -179.923 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 503' ' ' SER . . . . . 0.729 ' HB3' ' HA ' ' A' ' 510' ' ' GLU . 33.6 m . . . . . 0 N--CA 1.449 -0.509 0 N-CA-C 108.795 -0.817 . . . . 1.32 108.795 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 504' ' ' CYS . . . . . 0.735 ' HB2' ' HB3' ' A' ' 524' ' ' CYS . 42.8 t -80.96 121.05 25.54 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 107.914 -1.143 . . . . 0.47 107.914 164.627 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 505' ' ' VAL . . . . . 0.764 ' HB ' ' CE1' ' A' ' 523' ' ' TYR . 43.8 t -68.13 -4.24 3.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 121.482 0.658 . . . . 0.63 109.803 177.564 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 506' ' ' ASN . . . . . 0.486 ' HB3' ' HB3' ' A' ' 528' ' ' CYS . 6.8 t30 -113.31 -44.19 3.27 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 115.95 -0.568 . . . . 1.4 111.886 -179.169 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -133.48 -82.36 0.47 Allowed 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 113.175 0.805 . . . . 0.81 113.175 -173.095 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 508' ' ' GLY . . . . . 0.479 ' N ' ' HB3' ' A' ' 504' ' ' CYS . . . -140.65 -102.03 0.48 Allowed Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.59 -0.814 . . . . 1.2 114.91 -165.25 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 509' ' ' ARG . . . . . 0.812 ' HB3' ' HB2' ' A' ' 524' ' ' CYS . 19.8 tpp180 -35.55 142.67 0.06 Allowed 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.754 1.222 . . . . 4.8 112.759 -172.759 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 510' ' ' GLU . . . . . 0.729 ' HA ' ' HB3' ' A' ' 503' ' ' SER . 1.6 pm0 -68.84 20.13 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 113.702 1.001 . . . . 2.82 113.702 -170.356 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 511' ' ' ALA . . . . . 0.561 ' CB ' ' HB2' ' A' ' 522' ' ' ASN . . . 73.85 137.64 0.06 Allowed 'General case' 0 CA--C 1.518 -0.279 0 C-N-CA 123.723 0.809 . . . . 0.69 111.72 177.804 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 64.6 mtt -89.26 -49.09 6.93 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.468 -0.938 . . . . 2.04 108.468 176.795 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 73.6 m -118.37 160.46 21.64 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.569 -0.741 . . . . 0.99 110.084 168.331 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 514' ' ' GLU . . . . . 0.463 ' HB3' ' HA ' ' A' ' 519' ' ' HIS . 40.1 mt-10 -88.09 160.31 17.86 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.486 -0.931 . . . . 0.98 108.486 170.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 38.4 t -40.69 112.53 0.3 Allowed 'General case' 0 N--CA 1.47 0.558 0 O-C-N 123.903 0.752 . . . . 0.38 111.155 -176.611 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 24.9 p -64.12 0.13 1.02 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 114.008 1.114 . . . . 0.67 114.008 -166.353 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -103.03 -12.27 32.18 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.16 -1.019 . . . . 0.4 112.714 177.25 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 518' ' ' CYS . . . . . 1.015 ' HB2' ' HD3' ' A' ' 520' ' ' LYS . 31.2 p -152.96 -39.65 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.148 0.499 . . . . 0.34 111.727 -174.447 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 519' ' ' HIS . . . . . 0.463 ' HA ' ' HB3' ' A' ' 514' ' ' GLU . 6.1 m170 62.03 36.49 15.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.237 -0.892 . . . . 0.31 109.408 -172.725 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 520' ' ' LYS . . . . . 1.015 ' HD3' ' HB2' ' A' ' 518' ' ' CYS . 4.9 mptp? -91.07 -12.66 34.99 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.683 -0.689 . . . . 2.27 110.534 174.076 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 521' ' ' VAL . . . . . . . . . . . . . 16.1 m -146.92 163.64 7.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 N-CA-C 106.948 -1.501 . . . . 0.41 106.948 -177.35 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 522' ' ' ASN . . . . . 0.561 ' HB2' ' CB ' ' A' ' 511' ' ' ALA . 22.0 p-10 -140.08 147.15 39.87 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.324 0.583 . . . . 1.19 111.498 -175.58 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 523' ' ' TYR . . . . . 0.841 ' HB3' ' HB2' ' A' ' 528' ' ' CYS . 97.0 m-85 -140.81 141.99 34.69 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 115.366 -0.834 . . . . 0.89 110.744 -176.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 524' ' ' CYS . . . . . 0.812 ' HB2' ' HB3' ' A' ' 509' ' ' ARG . 14.8 p -52.03 -45.55 64.69 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-O 121.102 0.477 . . . . 0.36 110.758 -173.47 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 525' ' ' SER . . . . . 0.417 ' HB2' ' CE2' ' A' ' 527' ' ' PHE . 6.2 m -124.96 -179.28 4.48 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.265 -0.88 . . . . 1.18 111.314 -177.222 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 91.1 m -72.38 -41.84 65.9 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.382 0.512 . . . . 0.46 112.382 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 527' ' ' PHE . . . . . 0.417 ' CE2' ' HB2' ' A' ' 525' ' ' SER . 48.8 p90 -58.21 -36.56 73.31 Favored 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 111.712 0.264 . . . . 0.44 111.712 -174.68 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 528' ' ' CYS . . . . . 0.841 ' HB2' ' HB3' ' A' ' 523' ' ' TYR . 0.0 OUTLIER -60.68 -41.35 94.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.962 0.411 . . . . 0.55 110.75 179.492 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 529' ' ' GLN . . . . . 0.478 ' O ' ' HB3' ' A' ' 533' ' ' TRP . 36.0 tt0 -63.59 -41.48 98.35 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.305 -0.861 . . . . 2.38 109.246 -177.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 19.2 mmm180 -74.32 -45.62 46.2 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.172 -0.922 . . . . 3.94 111.731 -176.281 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? -56.44 -51.49 68.21 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 121.101 0.476 . . . . 3.15 111.202 -178.755 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 532' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -64.61 -34.3 77.95 Favored 'General case' 0 CA--C 1.506 -0.747 0 CA-C-N 115.485 -0.78 . . . . 2.61 111.504 -179.289 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 533' ' ' TRP . . . . . 1.054 ' HA ' ' HB3' ' A' ' 536' ' ' HIS . 0.0 OUTLIER -68.56 -9.23 48.09 Favored 'General case' 0 N--CA 1.434 -1.25 0 CA-C-N 115.292 -0.867 . . . . 0.62 111.823 -166.42 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 28.4 mmtp -60.6 -26.28 66.86 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.572 0.701 . . . . 2.1 109.126 175.662 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 535' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -99.81 -42.0 7.01 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 114.821 -1.081 . . . . 2.04 109.485 171.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 536' ' ' HIS . . . . . 1.054 ' HB3' ' HA ' ' A' ' 533' ' ' TRP . 50.0 t60 -62.7 -28.98 70.32 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 115.073 -0.967 . . . . 0.51 113.073 -177.585 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 537' ' ' GLN . . . . . 0.427 ' HB3' ' CE2' ' A' ' 533' ' ' TRP . 14.2 pt20 -48.19 -28.57 3.07 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.086 0.555 . . . . 1.3 111.995 178.762 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 538' ' ' HIS . . . . . . . . . . . . . 71.1 m80 -73.81 -16.59 61.15 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.123 -0.49 . . . . 0.72 111.237 -178.321 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 539' ' ' ILE . . . . . . . . . . . . . 31.1 pt -120.42 -5.58 10.11 Favored 'Isoleucine or valine' 0 C--O 1.232 0.159 0 C-N-CA 120.966 -0.293 . . . . 1.42 111.372 -176.783 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 2.0 t -73.97 120.5 19.64 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 109.081 -0.711 . . . . 0.62 109.081 177.263 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . 77.41 20.96 73.86 Favored Glycine 0 C--N 1.316 -0.552 0 C-N-CA 120.619 -0.8 . . . . 2.02 111.511 -178.069 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -52.64 108.33 0.3 Allowed 'General case' 0 C--O 1.233 0.208 0 C-N-CA 123.074 0.55 . . . . 6.33 110.767 179.345 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 5.9 p -147.63 146.6 29.41 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.864 -0.607 . . . . 6.92 110.997 -176.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 544' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.696 -0.668 . . . . 8.83 110.062 178.286 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 503' ' ' SER . . . . . 0.479 ' HB2' ' O ' ' A' ' 509' ' ' ARG . 22.8 p . . . . . 0 N--CA 1.44 -0.94 0 N-CA-C 109.842 -0.429 . . . . 1.32 109.842 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 504' ' ' CYS . . . . . 0.779 ' HB2' ' HB3' ' A' ' 524' ' ' CYS . 35.9 t -52.74 132.75 36.77 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 109.016 -0.735 . . . . 0.47 109.016 174.121 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 505' ' ' VAL . . . . . 0.437 ' O ' HG12 ' A' ' 505' ' ' VAL . 14.1 t -77.62 20.26 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-O 121.825 0.821 . . . . 0.63 109.374 178.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 506' ' ' ASN . . . . . 0.467 ' H ' ' C ' ' A' ' 504' ' ' CYS . 2.4 t-20 -148.76 -37.73 0.17 Allowed 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 115.595 -0.729 . . . . 1.4 112.669 -176.213 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -134.95 -96.23 0.26 Allowed 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 113.772 1.027 . . . . 0.81 113.772 -175.474 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 508' ' ' GLY . . . . . . . . . . . . . . . -124.42 -86.71 0.71 Allowed Glycine 0 C--N 1.335 0.478 0 N-CA-C 115.488 0.955 . . . . 1.2 115.488 -162.329 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 509' ' ' ARG . . . . . 0.743 ' HB2' ' HB2' ' A' ' 524' ' ' CYS . 58.1 mtt85 -47.38 156.16 0.29 Allowed 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 123.837 0.855 . . . . 4.8 112.492 -171.623 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 510' ' ' GLU . . . . . 0.542 ' CD ' ' H ' ' A' ' 510' ' ' GLU . 1.3 pm0 -77.32 19.95 0.31 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.294 -0.867 . . . . 2.82 111.209 -179.247 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 511' ' ' ALA . . . . . 0.428 ' HA ' ' HA ' ' A' ' 524' ' ' CYS . . . 77.35 146.19 0.09 Allowed 'General case' 0 CA--C 1.52 -0.188 0 C-N-CA 123.963 0.905 . . . . 0.69 112.115 174.692 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 46.9 mtt -92.36 -63.7 1.2 Allowed 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.127 -1.064 . . . . 2.04 108.127 176.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 6.6 p -117.84 172.54 7.31 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.181 -0.918 . . . . 0.99 110.428 172.63 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 514' ' ' GLU . . . . . 0.461 ' HB3' ' HA ' ' A' ' 519' ' ' HIS . 29.9 mt-10 -88.72 154.99 19.85 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 108.377 -0.971 . . . . 0.98 108.377 171.352 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 16.7 t -41.45 112.34 0.3 Allowed 'General case' 0 N--CA 1.47 0.557 0 O-C-N 123.517 0.511 . . . . 0.38 110.423 178.368 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 73.9 p -65.42 -4.36 5.58 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 112.671 0.619 . . . . 0.67 112.671 -169.451 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -89.66 -14.65 59.42 Favored Glycine 0 N--CA 1.443 -0.868 0 C-N-CA 120.528 -0.844 . . . . 0.4 112.396 177.528 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 518' ' ' CYS . . . . . 0.502 ' HB2' ' HG3' ' A' ' 520' ' ' LYS . 30.1 p -156.95 -37.15 0.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.317 0.58 . . . . 0.34 112.16 -175.621 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 519' ' ' HIS . . . . . 0.461 ' HA ' ' HB3' ' A' ' 514' ' ' GLU . 10.4 m170 67.96 25.0 7.78 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 114.552 -1.204 . . . . 0.31 110.148 -173.489 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 520' ' ' LYS . . . . . 0.502 ' HG3' ' HB2' ' A' ' 518' ' ' CYS . 7.4 mtpm? -84.99 -10.37 57.1 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 115.861 -0.608 . . . . 2.27 110.781 178.733 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 521' ' ' VAL . . . . . . . . . . . . . 28.4 m -148.43 173.8 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 107.604 -1.258 . . . . 0.41 107.604 -178.053 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -146.34 150.12 35.1 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 120.66 -0.416 . . . . 1.19 111.134 -177.069 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 523' ' ' TYR . . . . . 0.517 ' CD2' ' HB2' ' A' ' 528' ' ' CYS . 93.7 m-85 -136.23 148.51 48.09 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.864 -0.607 . . . . 0.89 110.181 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 524' ' ' CYS . . . . . 0.779 ' HB3' ' HB2' ' A' ' 504' ' ' CYS . 20.3 p -57.09 -47.41 81.09 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.151 0.501 . . . . 0.36 111.062 -176.189 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 525' ' ' SER . . . . . 0.414 ' HB3' ' CE2' ' A' ' 527' ' ' PHE . 23.1 t -126.5 -177.93 4.17 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.524 -0.762 . . . . 1.18 110.495 179.463 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 21.9 m -70.59 -37.67 73.93 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.241 0.46 . . . . 0.46 112.241 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 527' ' ' PHE . . . . . 0.414 ' CE2' ' HB3' ' A' ' 525' ' ' SER . 32.1 p90 -58.59 -42.54 88.31 Favored 'General case' 0 N--CA 1.462 0.153 0 N-CA-C 112.451 0.537 . . . . 0.44 112.451 -171.379 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 528' ' ' CYS . . . . . 0.517 ' HB2' ' CD2' ' A' ' 523' ' ' TYR . 0.0 OUTLIER -65.99 -35.06 79.54 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-O 121.133 0.492 . . . . 0.55 110.847 -179.516 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 529' ' ' GLN . . . . . 0.614 ' O ' ' HB3' ' A' ' 533' ' ' TRP . 8.5 tt0 -63.37 -43.24 98.21 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 115.487 -0.779 . . . . 2.38 109.495 -175.763 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 530' ' ' ARG . . . . . 0.492 ' HA ' ' HD3' ' A' ' 530' ' ' ARG . 11.4 mmt180 -77.15 -46.39 23.57 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.476 -0.784 . . . . 3.94 112.323 178.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 48.9 mtpt -56.99 -57.39 12.76 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 121.349 0.595 . . . . 3.15 111.374 -178.574 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 532' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.57 -24.12 67.01 Favored 'General case' 0 CA--C 1.508 -0.642 0 CA-C-N 115.389 -0.823 . . . . 2.61 112.23 -176.159 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 533' ' ' TRP . . . . . 1.098 ' HA ' ' HB3' ' A' ' 536' ' ' HIS . 0.0 OUTLIER -73.55 -6.27 45.47 Favored 'General case' 0 N--CA 1.436 -1.133 0 CA-C-N 115.944 -0.571 . . . . 0.62 110.761 -175.864 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 534' ' ' LYS . . . . . 0.623 ' HE2' ' HA ' ' A' ' 534' ' ' LYS . 11.0 mmmm -67.56 -16.13 64.02 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 119.131 -1.028 . . . . 2.1 109.513 175.103 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 535' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -104.78 -40.46 5.96 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 114.747 -1.115 . . . . 2.04 109.744 167.145 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 536' ' ' HIS . . . . . 1.098 ' HB3' ' HA ' ' A' ' 533' ' ' TRP . 28.5 t60 -62.73 -26.38 68.66 Favored 'General case' 0 CA--C 1.55 0.954 0 N-CA-C 113.233 0.827 . . . . 0.51 113.233 -179.441 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 537' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -45.65 -29.11 1.14 Allowed 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 122.946 0.498 . . . . 1.3 111.596 176.32 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 538' ' ' HIS . . . . . . . . . . . . . 26.3 m80 -70.23 -24.99 63.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.894 -0.594 . . . . 0.72 111.668 -179.573 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 539' ' ' ILE . . . . . . . . . . . . . 28.4 pt -119.79 4.54 6.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 120.78 0.324 . . . . 1.42 111.081 -170.192 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 3.4 t -78.46 125.51 29.47 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 109.5 -0.556 . . . . 0.62 109.5 179.104 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -61.85 -17.02 53.74 Favored Glycine 0 CA--C 1.521 0.436 0 CA-C-N 115.044 -0.98 . . . . 2.02 113.248 179.257 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 21.3 tp60 60.84 48.3 6.99 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-O 121.388 0.613 . . . . 6.33 110.738 177.26 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 49.4 m 57.52 69.15 0.76 Allowed 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.28 -0.873 . . . . 6.92 112.044 176.342 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 544' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.656 -0.688 . . . . 8.83 109.643 177.121 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 503' ' ' SER . . . . . 0.655 ' HB2' ' O ' ' A' ' 509' ' ' ARG . 32.2 p . . . . . 0 N--CA 1.444 -0.734 0 CA-C-O 120.82 0.343 . . . . 1.32 110.078 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 504' ' ' CYS . . . . . 0.919 ' HB2' ' HB3' ' A' ' 524' ' ' CYS . 45.4 t -92.91 132.17 37.27 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 108.524 -0.917 . . . . 0.47 108.524 171.379 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 505' ' ' VAL . . . . . 0.567 ' HB ' ' CE1' ' A' ' 523' ' ' TYR . 2.7 t -80.86 12.18 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 121.324 0.583 . . . . 0.63 109.71 178.193 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 506' ' ' ASN . . . . . 0.489 ' HB3' ' HB3' ' A' ' 528' ' ' CYS . 11.8 t-20 -131.89 -39.12 1.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 1.4 111.214 -178.438 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 507' ' ' CYS . . . . . 0.425 ' HB2' ' H ' ' A' ' 508' ' ' GLY . 0.6 OUTLIER -122.14 -96.33 0.47 Allowed 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.456 -0.572 . . . . 0.81 109.456 176.354 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 508' ' ' GLY . . . . . 0.425 ' H ' ' HB2' ' A' ' 507' ' ' CYS . . . 162.74 52.58 0.02 OUTLIER Glycine 0 N--CA 1.443 -0.862 0 C-N-CA 120.19 -1.005 . . . . 1.2 114.567 171.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 509' ' ' ARG . . . . . 1.107 ' HB3' ' HB2' ' A' ' 524' ' ' CYS . 1.6 tpt180 -104.77 159.86 15.44 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 106.244 -1.762 . . . . 4.8 106.244 161.499 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -64.2 10.87 0.05 Allowed 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 115.593 1.701 . . . . 2.82 115.593 -162.137 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 511' ' ' ALA . . . . . 0.572 ' HA ' ' HA ' ' A' ' 524' ' ' CYS . . . 67.83 142.28 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 121.619 0.724 . . . . 0.69 111.877 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 81.2 mtp -114.43 -66.77 1.05 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.058 -0.519 . . . . 2.04 109.843 179.014 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 7.2 p -117.52 172.52 7.28 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.668 0.747 . . . . 0.99 111.177 175.045 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 514' ' ' GLU . . . . . 0.528 ' HB3' ' HA ' ' A' ' 519' ' ' HIS . 29.2 mt-10 -98.22 154.01 18.08 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 114.65 -1.159 . . . . 0.98 110.024 179.257 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 12.0 t -41.73 112.9 0.36 Allowed 'General case' 0 N--CA 1.468 0.439 0 O-C-N 123.829 0.706 . . . . 0.38 111.13 178.063 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 18.6 p -66.53 5.35 0.6 Allowed 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 113.167 0.803 . . . . 0.67 113.167 -172.142 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -97.58 -15.34 37.76 Favored Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 120.56 -0.829 . . . . 0.4 112.249 175.374 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 30.2 p -157.03 -34.73 0.08 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.52 0.676 . . . . 0.34 112.07 -174.471 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 519' ' ' HIS . . . . . 0.528 ' HA ' ' HB3' ' A' ' 514' ' ' GLU . 9.4 m170 60.9 32.06 20.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 114.628 -1.169 . . . . 0.31 109.926 -171.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 61.9 mtpt -90.07 -10.22 45.56 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.714 -0.676 . . . . 2.27 110.366 177.333 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 521' ' ' VAL . . . . . . . . . . . . . 27.0 m -145.57 167.18 9.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 107.117 -1.438 . . . . 0.41 107.117 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 522' ' ' ASN . . . . . 0.485 ' O ' HG23 ' A' ' 505' ' ' VAL . 8.5 p30 -144.76 150.83 37.9 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 120.88 0.371 . . . . 1.19 110.661 -177.493 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 523' ' ' TYR . . . . . 0.648 ' HB3' ' HB2' ' A' ' 528' ' ' CYS . 87.5 m-85 -137.54 157.99 45.34 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.961 -0.563 . . . . 0.89 110.651 -176.473 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 524' ' ' CYS . . . . . 1.107 ' HB2' ' HB3' ' A' ' 509' ' ' ARG . 13.0 p -64.39 -42.18 96.27 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.427 0.632 . . . . 0.36 110.597 -175.32 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 17.3 m -126.77 177.33 6.64 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.14 -0.937 . . . . 1.18 111.234 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 13.4 m -71.03 -41.51 70.74 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.276 0.473 . . . . 0.46 112.276 177.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 527' ' ' PHE . . . . . . . . . . . . . 45.2 p90 -58.9 -33.86 71.02 Favored 'General case' 0 C--N 1.333 -0.113 0 C-N-CA 120.993 -0.283 . . . . 0.44 111.416 -175.164 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 528' ' ' CYS . . . . . 0.648 ' HB2' ' HB3' ' A' ' 523' ' ' TYR . 0.5 OUTLIER -60.69 -41.4 95.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.804 0.335 . . . . 0.55 110.936 177.939 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 529' ' ' GLN . . . . . 0.559 ' O ' ' HB3' ' A' ' 533' ' ' TRP . 37.3 tt0 -60.77 -43.23 98.31 Favored 'General case' 0 C--O 1.218 -0.561 0 N-CA-C 108.819 -0.808 . . . . 2.38 108.819 -177.248 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 66.9 mtp180 -74.69 -46.82 35.27 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.024 -0.989 . . . . 3.94 111.679 -178.46 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -59.48 -55.24 37.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.836 -0.62 . . . . 3.15 111.182 -177.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 532' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -63.17 -33.35 75.27 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.097 -0.956 . . . . 2.61 111.67 -178.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 533' ' ' TRP . . . . . 1.045 ' HA ' ' HB3' ' A' ' 536' ' ' HIS . 0.0 OUTLIER -63.89 -10.01 18.41 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.277 -0.874 . . . . 0.62 112.321 -168.299 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 534' ' ' LYS . . . . . 0.415 ' HA ' ' HD3' ' A' ' 534' ' ' LYS . 58.8 mmtt -63.15 -20.07 65.06 Favored 'General case' 0 C--N 1.319 -0.743 0 O-C-N 121.277 -0.889 . . . . 2.1 109.463 174.685 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 535' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -99.81 -44.83 5.94 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.141 -0.936 . . . . 2.04 109.473 169.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 536' ' ' HIS . . . . . 1.045 ' HB3' ' HA ' ' A' ' 533' ' ' TRP . 58.2 t60 -61.49 -31.75 71.74 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 113.823 1.045 . . . . 0.51 113.823 -178.247 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 537' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -46.58 -31.39 2.78 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.224 0.609 . . . . 1.3 112.176 -178.736 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 538' ' ' HIS . . . . . . . . . . . . . 51.9 m-70 -72.12 -16.65 62.0 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.94 -0.573 . . . . 0.72 111.548 -177.21 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 539' ' ' ILE . . . . . . . . . . . . . 27.1 pt -120.46 0.32 7.51 Favored 'Isoleucine or valine' 0 C--O 1.237 0.407 0 C-N-CA 120.761 -0.375 . . . . 1.42 111.682 -175.686 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 4.1 t -78.74 119.82 22.5 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-O 121.17 0.51 . . . . 0.62 109.962 -179.229 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . 87.18 -46.25 3.51 Favored Glycine 0 C--N 1.318 -0.427 0 CA-C-N 115.497 -0.774 . . . . 2.02 111.961 178.245 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -66.65 101.92 0.85 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.821 0.344 . . . . 6.33 110.499 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 9.1 m -139.74 138.25 35.78 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.144 -0.48 . . . . 6.92 110.382 -177.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 544' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.957 0 CA-C-O 118.646 -0.692 . . . . 8.83 110.29 178.69 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 503' ' ' SER . . . . . 0.645 ' HA ' ' HA ' ' A' ' 510' ' ' GLU . 67.4 m . . . . . 0 N--CA 1.44 -0.974 0 N-CA-C 105.734 -1.95 . . . . 1.32 105.734 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 504' ' ' CYS . . . . . 0.802 ' HB2' ' HB3' ' A' ' 524' ' ' CYS . 46.4 t -53.04 111.35 0.66 Allowed 'General case' 0 N--CA 1.441 -0.913 0 C-N-CA 118.764 -1.174 . . . . 0.47 108.612 167.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 39.9 t -67.6 -4.42 2.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-O 121.711 0.767 . . . . 0.63 109.277 178.452 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 506' ' ' ASN . . . . . 0.445 ' HB3' ' SG ' ' A' ' 504' ' ' CYS . 6.5 t30 -106.7 -43.03 4.81 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.422 -0.808 . . . . 1.4 111.843 -176.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -138.18 -82.44 0.32 Allowed 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 113.981 1.104 . . . . 0.81 113.981 -176.719 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 508' ' ' GLY . . . . . . . . . . . . . . . -117.2 -112.39 2.64 Favored Glycine 0 C--N 1.335 0.493 0 N-CA-C 116.105 1.202 . . . . 1.2 116.105 -159.355 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 509' ' ' ARG . . . . . 0.427 HH11 ' HD3' ' A' ' 509' ' ' ARG . 0.0 OUTLIER -66.66 -178.77 0.75 Allowed 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 114.747 -0.726 . . . . 4.8 111.858 -169.918 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 510' ' ' GLU . . . . . 0.645 ' HA ' ' HA ' ' A' ' 503' ' ' SER . 8.6 pt-20 -56.98 -50.34 72.98 Favored 'General case' 0 N--CA 1.462 0.16 0 N-CA-C 112.131 0.419 . . . . 2.82 112.131 -167.858 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 511' ' ' ALA . . . . . 0.533 ' HB2' ' HB2' ' A' ' 522' ' ' ASN . . . 161.15 166.37 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 123.782 0.676 . . . . 0.69 111.161 -178.359 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 67.2 mtt -105.04 -61.68 1.44 Allowed 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 107.838 -1.171 . . . . 2.04 107.838 164.653 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 19.6 m -118.8 170.92 8.59 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.403 -0.817 . . . . 0.99 110.389 172.018 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 514' ' ' GLU . . . . . 0.574 ' HG2' ' HB3' ' A' ' 522' ' ' ASN . 36.5 mt-10 -101.84 156.95 17.2 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 108.57 -0.9 . . . . 0.98 108.57 171.404 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 515' ' ' CYS . . . . . 0.447 ' HB2' HG23 ' A' ' 521' ' ' VAL . 35.8 t -39.16 108.87 0.09 Allowed 'General case' 0 C--O 1.217 -0.635 0 O-C-N 124.012 0.82 . . . . 0.38 111.347 -176.189 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 32.9 p -63.15 1.23 0.49 Allowed 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.345 0.869 . . . . 0.67 113.345 -169.749 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -99.32 -11.99 43.39 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.684 -0.77 . . . . 0.4 113.03 176.091 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 24.8 p -161.52 -34.75 0.05 OUTLIER 'General case' 0 CA--C 1.534 0.33 0 CA-C-O 121.542 0.686 . . . . 0.34 111.583 -174.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 519' ' ' HIS . . . . . 0.489 ' HB3' ' HB2' ' A' ' 514' ' ' GLU . 0.2 OUTLIER 66.98 32.43 6.37 Favored 'General case' 0 C--O 1.224 -0.268 0 C-N-CA 124.985 1.314 . . . . 0.31 110.099 -176.266 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 51.5 mttp -85.59 -11.82 53.04 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.291 -0.413 . . . . 2.27 111.15 176.689 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 521' ' ' VAL . . . . . 0.447 HG23 ' HB2' ' A' ' 515' ' ' CYS . 10.5 m -141.29 159.19 22.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 107.475 -1.306 . . . . 0.41 107.475 -177.203 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 522' ' ' ASN . . . . . 0.574 ' HB3' ' HG2' ' A' ' 514' ' ' GLU . 3.0 p-10 -137.48 145.61 43.26 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 121.299 0.571 . . . . 1.19 111.28 -172.104 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 523' ' ' TYR . . . . . 0.892 ' HB3' ' HB2' ' A' ' 528' ' ' CYS . 84.9 m-85 -138.71 147.95 43.36 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 114.947 -1.024 . . . . 0.89 110.192 -172.695 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 524' ' ' CYS . . . . . 0.802 ' HB3' ' HB2' ' A' ' 504' ' ' CYS . 11.6 p -69.43 -36.95 77.16 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 115.39 -0.823 . . . . 0.36 111.166 -174.468 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 45.4 m -127.37 177.57 6.63 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.942 -0.572 . . . . 1.18 111.21 175.712 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 69.1 m -70.93 -41.59 70.99 Favored 'General case' 0 C--O 1.236 0.355 0 N-CA-C 112.249 0.463 . . . . 0.46 112.249 178.38 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 527' ' ' PHE . . . . . . . . . . . . . 43.1 p90 -58.72 -34.78 71.72 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 120.986 -0.286 . . . . 0.44 110.942 -176.423 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 528' ' ' CYS . . . . . 0.892 ' HB2' ' HB3' ' A' ' 523' ' ' TYR . 2.1 m -56.55 -46.85 80.45 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-O 121.244 0.545 . . . . 0.55 110.907 178.405 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 529' ' ' GLN . . . . . 0.796 ' O ' ' HB3' ' A' ' 533' ' ' TRP . 14.7 tt0 -62.57 -44.19 96.95 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 114.995 -1.002 . . . . 2.38 109.214 -175.175 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 530' ' ' ARG . . . . . 0.573 ' O ' ' HE2' ' A' ' 534' ' ' LYS . 37.8 mtp180 -74.73 -33.81 62.43 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 114.955 -1.021 . . . . 3.94 111.713 -175.572 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 531' ' ' LYS . . . . . 0.711 ' O ' ' HG2' ' A' ' 534' ' ' LYS . 66.6 mttm -77.67 -52.79 8.41 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.029 0.381 . . . . 3.15 112.029 -176.753 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 532' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -66.77 -27.23 67.42 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.344 0.593 . . . . 2.61 111.114 -176.52 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 533' ' ' TRP . . . . . 0.796 ' HB3' ' O ' ' A' ' 529' ' ' GLN . 0.0 OUTLIER -71.24 0.28 8.28 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.639 -0.709 . . . . 0.62 112.329 -171.355 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 534' ' ' LYS . . . . . 0.711 ' HG2' ' O ' ' A' ' 531' ' ' LYS . 65.4 mmtt -60.38 -28.57 68.31 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 108.349 -0.982 . . . . 2.1 108.349 173.719 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 535' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -85.1 -45.43 12.09 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 114.613 -1.176 . . . . 2.04 109.819 173.524 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 536' ' ' HIS . . . . . 0.771 ' HB3' ' HA ' ' A' ' 533' ' ' TRP . 37.9 t60 -67.79 -31.84 72.0 Favored 'General case' 0 CA--C 1.551 1.003 0 N-CA-C 114.164 1.172 . . . . 0.51 114.164 -176.058 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 537' ' ' GLN . . . . . . . . . . . . . 30.1 pt20 -50.08 -25.6 3.62 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.136 0.575 . . . . 1.3 112.182 -177.076 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 538' ' ' HIS . . . . . . . . . . . . . 53.0 m80 -74.7 -17.29 60.69 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.066 -0.516 . . . . 0.72 111.053 -177.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 539' ' ' ILE . . . . . 0.437 HG12 ' O ' ' A' ' 536' ' ' HIS . 29.0 pt -120.87 -7.59 10.26 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 C-N-CA 120.581 -0.448 . . . . 1.42 110.873 -172.48 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 4.7 t -70.31 148.97 47.88 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-O 121.478 0.656 . . . . 0.62 110.153 -177.635 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . 92.29 -32.8 5.26 Favored Glycine 0 C--N 1.306 -1.138 0 CA-C-N 114.569 -1.196 . . . . 2.02 112.091 178.066 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 -70.07 115.4 9.24 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.122 0.487 . . . . 6.33 110.175 -179.211 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 45.7 m -113.11 3.74 16.25 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.264 0.554 . . . . 6.92 109.592 173.378 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 544' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.833 0 CA-C-N 115.332 -0.849 . . . . 8.83 109.724 178.791 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 503' ' ' SER . . . . . 0.744 ' HA ' ' HA ' ' A' ' 510' ' ' GLU . 23.3 m . . . . . 0 N--CA 1.444 -0.758 0 N-CA-C 106.889 -1.523 . . . . 1.32 106.889 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 504' ' ' CYS . . . . . 0.65 ' HB2' ' HB3' ' A' ' 524' ' ' CYS . 49.1 t -48.88 119.47 3.2 Favored 'General case' 0 N--CA 1.443 -0.79 0 C-N-CA 119.028 -1.069 . . . . 0.47 109.1 171.491 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 505' ' ' VAL . . . . . 0.434 ' O ' HG12 ' A' ' 505' ' ' VAL . 21.3 t -76.17 19.87 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-O 122.05 0.929 . . . . 0.63 109.38 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 506' ' ' ASN . . . . . 0.519 ' H ' ' C ' ' A' ' 504' ' ' CYS . 3.0 t-20 -139.0 -40.91 0.48 Allowed 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 115.265 -0.879 . . . . 1.4 112.438 -179.161 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -137.26 -87.45 0.29 Allowed 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 114.076 1.139 . . . . 0.81 114.076 -174.78 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 508' ' ' GLY . . . . . . . . . . . . . . . -112.47 -115.06 3.36 Favored Glycine 0 N--CA 1.451 -0.334 0 N-CA-C 115.445 0.938 . . . . 1.2 115.445 -159.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 509' ' ' ARG . . . . . . . . . . . . . 52.5 mtm180 -65.07 -178.83 0.49 Allowed 'General case' 0 CA--C 1.517 -0.29 0 C-N-CA 123.065 0.546 . . . . 4.8 111.581 -169.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 510' ' ' GLU . . . . . 0.744 ' HA ' ' HA ' ' A' ' 503' ' ' SER . 9.6 pt-20 -58.62 -49.0 79.11 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.415 0.524 . . . . 2.82 112.415 -168.083 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 511' ' ' ALA . . . . . 0.479 ' HB2' ' O ' ' A' ' 510' ' ' GLU . . . 164.87 156.82 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 123.547 0.529 . . . . 0.69 111.376 -176.047 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 27.2 ttt -100.14 -62.96 1.17 Allowed 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.016 -1.105 . . . . 2.04 108.016 167.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 27.4 p -118.66 172.22 7.65 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.606 -0.725 . . . . 0.99 110.624 170.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 514' ' ' GLU . . . . . 0.417 ' HB2' ' HB3' ' A' ' 519' ' ' HIS . 41.7 mt-10 -102.71 157.79 16.7 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 108.774 -0.824 . . . . 0.98 108.774 170.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 515' ' ' CYS . . . . . 0.483 ' HB2' HG23 ' A' ' 521' ' ' VAL . 45.7 t -38.75 109.24 0.1 Allowed 'General case' 0 N--CA 1.47 0.528 0 O-C-N 124.05 0.844 . . . . 0.38 111.552 -178.782 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 15.6 p -73.84 34.56 0.09 Allowed 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 113.084 0.772 . . . . 0.67 113.084 -170.372 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 517' ' ' GLY . . . . . 0.404 ' H ' ' C ' ' A' ' 515' ' ' CYS . . . -132.8 -4.31 3.43 Favored Glycine 0 N--CA 1.443 -0.878 0 N-CA-C 111.099 -0.8 . . . . 0.4 111.099 171.019 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 21.1 p -164.39 -38.19 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.396 0 CA-C-O 121.566 0.698 . . . . 0.34 110.778 -176.31 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 519' ' ' HIS . . . . . 0.417 ' HB3' ' HB2' ' A' ' 514' ' ' GLU . 7.1 m170 67.26 38.84 3.2 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 114.348 -1.296 . . . . 0.31 109.899 -175.614 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 21.8 mtpp -97.6 -7.66 30.65 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-N 115.897 -0.592 . . . . 2.27 112.023 176.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 521' ' ' VAL . . . . . 0.483 HG23 ' HB2' ' A' ' 515' ' ' CYS . 19.2 m -140.74 162.13 23.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 107.216 -1.402 . . . . 0.41 107.216 178.615 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 -148.06 145.7 28.55 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-O 121.367 0.603 . . . . 1.19 111.35 -171.121 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 523' ' ' TYR . . . . . 0.701 ' HB3' ' HB2' ' A' ' 528' ' ' CYS . 96.1 m-85 -139.63 159.28 42.54 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 115.191 -0.913 . . . . 0.89 109.856 -179.248 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 524' ' ' CYS . . . . . 0.65 ' HB3' ' HB2' ' A' ' 504' ' ' CYS . 17.1 p -67.77 -43.89 78.77 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.265 0.555 . . . . 0.36 110.825 -174.783 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 9.3 t -125.25 179.48 5.06 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.521 -0.763 . . . . 1.18 110.425 179.112 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 30.5 m -70.32 -41.57 73.08 Favored 'General case' 0 C--O 1.235 0.322 0 N-CA-C 112.354 0.502 . . . . 0.46 112.354 -178.186 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 527' ' ' PHE . . . . . . . . . . . . . 46.6 p90 -58.23 -37.46 74.93 Favored 'General case' 0 N--CA 1.463 0.182 0 N-CA-C 111.689 0.255 . . . . 0.44 111.689 -173.187 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 528' ' ' CYS . . . . . 0.701 ' HB2' ' HB3' ' A' ' 523' ' ' TYR . 0.5 OUTLIER -57.86 -43.94 86.29 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.222 0.534 . . . . 0.55 111.071 -179.563 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 529' ' ' GLN . . . . . 0.723 ' O ' ' HB3' ' A' ' 533' ' ' TRP . 28.2 tp60 -67.1 -40.1 86.85 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.277 -0.874 . . . . 2.38 109.836 -174.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 7.2 ttm180 -71.23 -36.81 71.97 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.679 -0.691 . . . . 3.94 110.538 -179.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 531' ' ' LYS . . . . . 0.488 ' O ' ' HG2' ' A' ' 534' ' ' LYS . 9.2 mtpm? -69.58 -60.37 2.37 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.169 0.509 . . . . 3.15 111.701 -179.253 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 532' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -83.4 -15.54 49.36 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 113.385 0.883 . . . . 2.61 113.385 -164.13 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 533' ' ' TRP . . . . . 0.723 ' HB3' ' O ' ' A' ' 529' ' ' GLN . 0.0 OUTLIER -72.14 3.8 4.18 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 111.868 0.322 . . . . 0.62 111.868 -178.422 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 534' ' ' LYS . . . . . 0.488 ' HG2' ' O ' ' A' ' 531' ' ' LYS . 1.2 mmpp? -50.15 -32.06 15.12 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 120.739 0.304 . . . . 2.1 111.162 177.01 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 535' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -86.58 -32.32 20.72 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.531 0.681 . . . . 2.04 110.797 177.191 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 536' ' ' HIS . . . . . 0.432 ' O ' HG12 ' A' ' 539' ' ' ILE . 43.2 t60 -79.09 -33.22 44.68 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.139 -0.937 . . . . 0.51 112.829 -174.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 537' ' ' GLN . . . . . 0.522 ' HB3' ' CE2' ' A' ' 533' ' ' TRP . 19.7 pt20 -50.77 -24.59 3.57 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-O 121.097 0.475 . . . . 1.3 111.939 -177.556 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 538' ' ' HIS . . . . . . . . . . . . . 26.0 m-70 -75.23 -17.08 60.41 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.617 -0.719 . . . . 0.72 111.541 -177.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 539' ' ' ILE . . . . . 0.432 HG12 ' O ' ' A' ' 536' ' ' HIS . 27.9 pt -120.27 -10.65 10.25 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 C-N-CA 120.64 -0.424 . . . . 1.42 110.99 -173.44 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 4.6 t . . . . . 0 N--CA 1.444 -0.736 0 CA-C-O 121.567 0.698 . . . . 0.62 110.256 -178.031 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 503' ' ' SER . . . . . 0.463 ' HA ' ' HA ' ' A' ' 510' ' ' GLU . 20.6 m . . . . . 0 N--CA 1.444 -0.756 0 N-CA-C 106.385 -1.709 . . . . 1.32 106.385 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 504' ' ' CYS . . . . . 0.747 ' HB2' ' HB3' ' A' ' 524' ' ' CYS . 40.3 t -49.54 120.23 4.01 Favored 'General case' 0 N--CA 1.446 -0.627 0 C-N-CA 119.469 -0.892 . . . . 0.47 108.831 168.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 505' ' ' VAL . . . . . 0.435 ' O ' HG12 ' A' ' 505' ' ' VAL . 16.1 t -75.95 19.46 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 121.966 0.889 . . . . 0.63 109.865 179.778 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 506' ' ' ASN . . . . . 0.615 ' HB3' ' HB3' ' A' ' 528' ' ' CYS . 6.9 t30 -138.28 -43.33 0.51 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.693 -0.685 . . . . 1.4 112.249 -176.687 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -148.1 -89.06 0.08 Allowed 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 114.353 1.242 . . . . 0.81 114.353 -176.631 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 508' ' ' GLY . . . . . . . . . . . . . . . -83.18 -130.3 1.59 Allowed Glycine 0 C--N 1.333 0.416 0 N-CA-C 115.676 1.03 . . . . 1.2 115.676 -160.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 509' ' ' ARG . . . . . 0.433 ' HB3' ' H ' ' A' ' 510' ' ' GLU . 30.9 mtt-85 -75.43 -162.89 0.21 Allowed 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 113.115 0.783 . . . . 4.8 113.115 -170.351 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 510' ' ' GLU . . . . . 0.463 ' HA ' ' HA ' ' A' ' 503' ' ' SER . 0.2 OUTLIER -57.11 -50.81 71.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.133 -0.94 . . . . 2.82 112.511 -163.376 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 511' ' ' ALA . . . . . 0.44 ' HB2' ' O ' ' A' ' 510' ' ' GLU . . . 170.77 153.56 0.06 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.032 0.444 . . . . 0.69 111.42 -175.787 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 17.7 tpt -110.99 -72.2 0.73 Allowed 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 107.831 -1.174 . . . . 2.04 107.831 169.026 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 21.7 p -118.3 171.98 7.76 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-O 121.53 0.681 . . . . 0.99 110.375 169.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 514' ' ' GLU . . . . . 0.466 ' HB2' ' CG ' ' A' ' 519' ' ' HIS . 4.2 mt-10 -97.36 154.85 17.18 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 114.999 -1.0 . . . . 0.98 109.138 172.31 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 515' ' ' CYS . . . . . 0.501 ' HA ' ' OE1' ' A' ' 529' ' ' GLN . 10.8 t -40.41 111.41 0.2 Allowed 'General case' 0 N--CA 1.468 0.436 0 O-C-N 123.911 0.757 . . . . 0.38 111.46 177.689 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 44.9 p -71.5 22.46 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.856 0.688 . . . . 0.67 112.856 -173.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 517' ' ' GLY . . . . . 0.407 ' H ' ' C ' ' A' ' 515' ' ' CYS . . . -114.17 -13.92 9.56 Favored Glycine 0 N--CA 1.442 -0.933 0 N-CA-C 111.506 -0.638 . . . . 0.4 111.506 171.035 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 24.1 p -158.99 -39.41 0.06 Allowed 'General case' 0 CA--C 1.535 0.392 0 CA-C-O 121.412 0.625 . . . . 0.34 111.484 -175.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 519' ' ' HIS . . . . . 0.466 ' CG ' ' HB2' ' A' ' 514' ' ' GLU . 9.7 m170 72.45 23.81 3.07 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 125.066 1.346 . . . . 0.31 110.792 -175.592 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 56.3 mtpt -79.9 -8.07 59.1 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 116.223 -0.444 . . . . 2.27 111.568 178.209 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 521' ' ' VAL . . . . . . . . . . . . . 11.5 m -141.76 163.43 19.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 108.325 -0.991 . . . . 0.41 108.325 -177.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -137.06 143.73 42.8 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 121.339 0.59 . . . . 1.19 110.776 -173.296 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 523' ' ' TYR . . . . . 0.83 ' HB3' ' HB2' ' A' ' 528' ' ' CYS . 79.4 m-85 -139.41 160.47 39.77 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.185 -0.916 . . . . 0.89 109.86 -175.116 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 524' ' ' CYS . . . . . 0.747 ' HB3' ' HB2' ' A' ' 504' ' ' CYS . 13.0 p -76.47 -37.32 57.07 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.982 0.42 . . . . 0.36 110.885 -177.535 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 28.9 t -127.38 179.08 5.66 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.913 -0.585 . . . . 1.18 111.242 174.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 18.5 m -72.07 -36.44 69.54 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 122.512 0.325 . . . . 0.46 111.738 177.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 527' ' ' PHE . . . . . . . . . . . . . 20.0 p90 -63.05 -33.61 75.8 Favored 'General case' 0 CA--C 1.523 -0.086 0 C-N-CA 120.488 -0.485 . . . . 0.44 110.899 -176.24 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 528' ' ' CYS . . . . . 0.83 ' HB2' ' HB3' ' A' ' 523' ' ' TYR . 1.3 m -58.23 -42.08 85.54 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-O 121.34 0.591 . . . . 0.55 110.801 176.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 529' ' ' GLN . . . . . 0.532 ' HA ' ' CE2' ' A' ' 523' ' ' TYR . 22.0 tt0 -59.42 -49.98 75.72 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-N 114.331 -1.304 . . . . 2.38 109.409 -174.46 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 18.8 mtt180 -78.95 -27.73 43.63 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 114.187 -1.37 . . . . 3.94 112.635 -174.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 531' ' ' LYS . . . . . 0.778 ' O ' ' HE2' ' A' ' 534' ' ' LYS . 61.0 mttp -72.08 -59.25 2.84 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.817 0.341 . . . . 3.15 111.002 178.001 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 532' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -57.6 -28.32 63.52 Favored 'General case' 0 CA--C 1.511 -0.531 0 CA-C-O 121.778 0.799 . . . . 2.61 111.319 -177.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 533' ' ' TRP . . . . . 1.07 ' HA ' ' HB3' ' A' ' 536' ' ' HIS . 0.0 OUTLIER -64.36 -10.0 21.67 Favored 'General case' 0 N--CA 1.438 -1.058 0 CA-C-N 114.564 -1.198 . . . . 0.62 112.527 -170.101 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 534' ' ' LYS . . . . . 0.778 ' HE2' ' O ' ' A' ' 531' ' ' LYS . 28.5 mtmt -64.23 -15.8 60.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 121.017 -1.052 . . . . 2.1 110.005 176.134 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 535' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -101.78 -43.4 5.85 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.199 -0.91 . . . . 2.04 109.443 168.21 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 536' ' ' HIS . . . . . 1.07 ' HB3' ' HA ' ' A' ' 533' ' ' TRP . 66.6 t60 -62.95 -28.4 70.05 Favored 'General case' 0 CA--C 1.549 0.908 0 CA-C-N 114.683 -1.144 . . . . 0.51 113.658 -177.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 537' ' ' GLN . . . . . 0.418 ' HB3' ' CE2' ' A' ' 533' ' ' TRP . 3.1 pt20 -49.46 -31.9 10.87 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 118.201 0.455 . . . . 1.3 111.624 -178.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 538' ' ' HIS . . . . . . . . . . . . . 41.7 m-70 -72.14 -15.65 61.98 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.717 -0.674 . . . . 0.72 111.33 -177.281 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 539' ' ' ILE . . . . . . . . . . . . . 29.3 pt -120.13 0.25 7.65 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.357 0 CA-C-O 120.964 0.412 . . . . 1.42 110.004 -175.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 2.0 t . . . . . 0 N--CA 1.445 -0.694 0 N-CA-C 109.232 -0.655 . . . . 0.62 109.232 175.787 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 48.9 m . . . . . 0 N--CA 1.444 -0.729 0 N-CA-C 108.242 -1.021 . . . . 1.32 108.242 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 504' ' ' CYS . . . . . 0.883 ' HB2' ' HB3' ' A' ' 524' ' ' CYS . 41.3 t -65.76 106.44 1.51 Allowed 'General case' 0 N--CA 1.441 -0.882 0 N-CA-C 107.794 -1.188 . . . . 0.47 107.794 169.593 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 505' ' ' VAL . . . . . 0.52 ' HB ' ' CE2' ' A' ' 523' ' ' TYR . 26.0 t -69.85 7.74 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 121.95 0.881 . . . . 0.63 110.345 -178.602 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 506' ' ' ASN . . . . . 0.631 ' HB3' ' HB3' ' A' ' 528' ' ' CYS . 25.3 t-20 -120.87 -45.16 2.39 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.787 -0.642 . . . . 1.4 111.977 -179.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 507' ' ' CYS . . . . . 0.452 ' N ' ' SG ' ' A' ' 504' ' ' CYS . 0.5 OUTLIER -149.44 -48.44 0.14 Allowed 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 114.971 1.471 . . . . 0.81 114.971 -169.458 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 508' ' ' GLY . . . . . 0.534 ' H ' ' CB ' ' A' ' 504' ' ' CYS . . . -130.72 -122.4 2.4 Favored Glycine 0 CA--C 1.523 0.558 0 C-N-CA 119.582 -1.294 . . . . 1.2 115.727 -163.49 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 509' ' ' ARG . . . . . . . . . . . . . 28.3 mmt180 -87.08 -175.42 5.33 Favored 'General case' 0 C--O 1.22 -0.476 0 N-CA-C 112.951 0.723 . . . . 4.8 112.951 -167.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 510' ' ' GLU . . . . . 0.407 ' H ' ' HG2' ' A' ' 510' ' ' GLU . 9.3 pt-20 -75.43 17.44 0.27 Allowed 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 115.263 1.579 . . . . 2.82 115.263 -161.278 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 511' ' ' ALA . . . . . 0.74 ' HA ' ' HA ' ' A' ' 524' ' ' CYS . . . 71.19 135.06 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 121.786 0.803 . . . . 0.69 112.948 174.326 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 62.1 mtt -85.18 -45.93 11.56 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-N 115.211 -0.904 . . . . 2.04 109.338 179.206 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 20.9 p -118.04 171.83 7.82 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.481 -0.781 . . . . 0.99 110.678 172.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 514' ' ' GLU . . . . . 0.488 ' OE1' ' HB3' ' A' ' 519' ' ' HIS . 82.9 mt-10 -106.47 149.93 26.58 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-N 115.014 -0.993 . . . . 0.98 108.325 174.296 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 6.1 t -39.05 114.18 0.37 Allowed 'General case' 0 C--O 1.219 -0.545 0 O-C-N 124.096 0.873 . . . . 0.38 111.628 -174.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 45.6 p -63.63 -3.65 2.4 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 112.988 0.736 . . . . 0.67 112.988 -169.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -93.52 -9.2 60.38 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.572 -0.823 . . . . 0.4 112.41 178.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 24.5 p -164.62 -38.55 0.03 OUTLIER 'General case' 0 CA--C 1.538 0.494 0 CA-C-O 121.278 0.561 . . . . 0.34 112.027 -175.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 519' ' ' HIS . . . . . 0.488 ' HB3' ' OE1' ' A' ' 514' ' ' GLU . 6.6 m170 67.04 29.28 8.07 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 124.99 1.316 . . . . 0.31 110.039 -172.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -91.71 -9.51 43.54 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 115.927 -0.579 . . . . 2.27 111.125 178.447 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 521' ' ' VAL . . . . . . . . . . . . . 28.4 m -141.34 170.0 13.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 108.082 -1.081 . . . . 0.41 108.082 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 522' ' ' ASN . . . . . 0.503 ' HB2' ' CB ' ' A' ' 511' ' ' ALA . 27.1 p-10 -148.56 139.55 23.08 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.455 0.645 . . . . 1.19 111.866 -176.251 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 523' ' ' TYR . . . . . 0.742 ' HB3' ' HB2' ' A' ' 528' ' ' CYS . 70.9 m-85 -139.63 142.99 37.01 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.165 -0.925 . . . . 0.89 108.612 176.618 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 524' ' ' CYS . . . . . 0.883 ' HB3' ' HB2' ' A' ' 504' ' ' CYS . 6.2 p -59.44 -41.32 89.34 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 111.96 0.355 . . . . 0.36 111.96 -165.553 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 18.5 t -124.44 175.6 7.02 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.911 -0.586 . . . . 1.18 110.826 -179.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 526' ' ' THR . . . . . 0.664 ' HA ' HE21 ' A' ' 529' ' ' GLN . 11.0 m -66.16 -42.0 89.59 Favored 'General case' 0 C--O 1.236 0.358 0 O-C-N 122.224 -0.298 . . . . 0.46 111.797 -177.159 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 527' ' ' PHE . . . . . . . . . . . . . 54.3 p90 -62.71 -37.97 88.6 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.864 -0.334 . . . . 0.44 110.843 -175.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 528' ' ' CYS . . . . . 0.742 ' HB2' ' HB3' ' A' ' 523' ' ' TYR . 3.9 m -56.54 -40.86 75.82 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-O 121.192 0.52 . . . . 0.55 110.931 178.358 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 529' ' ' GLN . . . . . 0.664 HE21 ' HA ' ' A' ' 526' ' ' THR . 47.8 mt-30 -68.0 -49.68 60.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.608 -0.723 . . . . 2.38 109.955 -177.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 65.1 mtp180 -74.08 -26.8 60.57 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.973 -1.012 . . . . 3.94 111.547 -172.185 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 531' ' ' LYS . . . . . 0.491 ' O ' ' HG2' ' A' ' 534' ' ' LYS . 31.9 mmtp -76.35 -51.81 11.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.788 0.328 . . . . 3.15 111.062 178.18 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 532' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.6 -33.33 58.42 Favored 'General case' 0 CA--C 1.509 -0.612 0 N-CA-C 112.662 0.616 . . . . 2.61 112.662 -170.002 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 533' ' ' TRP . . . . . 0.653 ' HB3' ' O ' ' A' ' 529' ' ' GLN . 0.0 OUTLIER -65.8 6.25 0.37 Allowed 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.856 0.687 . . . . 0.62 112.856 -168.427 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 534' ' ' LYS . . . . . 0.491 ' HG2' ' O ' ' A' ' 531' ' ' LYS . 62.0 mmtt -53.53 -21.31 6.18 Favored 'General case' 0 C--N 1.322 -0.606 0 O-C-N 121.866 -0.521 . . . . 2.1 111.445 176.212 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 535' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -99.79 -24.9 14.54 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.519 0.676 . . . . 2.04 110.539 172.819 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 536' ' ' HIS . . . . . 0.618 ' HB3' ' HB2' ' A' ' 533' ' ' TRP . 57.8 t60 -78.72 -29.12 45.16 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.241 -0.891 . . . . 0.51 111.738 -178.334 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 537' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -54.87 -23.47 18.72 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.067 0.461 . . . . 1.3 110.969 177.361 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 538' ' ' HIS . . . . . . . . . . . . . 51.5 m-70 -77.03 -20.96 55.28 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.557 -0.747 . . . . 0.72 111.297 -178.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 539' ' ' ILE . . . . . . . . . . . . . 11.8 tt -119.47 -18.85 5.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.128 0.49 . . . . 1.42 110.108 -171.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 2.9 t . . . . . 0 N--CA 1.442 -0.836 0 CA-C-O 121.493 0.664 . . . . 0.62 109.502 175.305 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 47.6 p . . . . . 0 N--CA 1.44 -0.928 0 N-CA-C 108.873 -0.788 . . . . 1.32 108.873 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 504' ' ' CYS . . . . . 0.591 ' HB2' ' HB3' ' A' ' 524' ' ' CYS . 46.4 t -46.51 131.94 10.84 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 109.476 -0.565 . . . . 0.47 109.476 171.087 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 505' ' ' VAL . . . . . 0.425 ' O ' HG12 ' A' ' 505' ' ' VAL . 13.0 t -75.25 21.44 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 122.034 0.921 . . . . 0.63 109.62 178.395 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 506' ' ' ASN . . . . . 0.75 HD22 ' HB3' ' A' ' 528' ' ' CYS . 47.7 t30 -145.86 -32.26 0.36 Allowed 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 115.389 -0.823 . . . . 1.4 111.776 -178.278 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 507' ' ' CYS . . . . . 0.474 ' HB2' ' H ' ' A' ' 508' ' ' GLY . 0.0 OUTLIER -140.84 -93.36 0.15 Allowed 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 112.293 0.479 . . . . 0.81 112.293 -176.266 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 508' ' ' GLY . . . . . 0.715 ' O ' ' HB3' ' A' ' 524' ' ' CYS . . . -148.42 -166.83 13.15 Favored Glycine 0 C--O 1.214 -1.142 0 CA-C-O 119.352 -0.693 . . . . 1.2 112.118 -173.524 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 509' ' ' ARG . . . . . 0.437 ' C ' ' H ' ' A' ' 511' ' ' ALA . 1.2 tpm_? 65.76 138.92 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 117.333 0.567 . . . . 4.8 111.064 175.644 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 510' ' ' GLU . . . . . 0.474 ' CD ' ' H ' ' A' ' 510' ' ' GLU . 0.5 OUTLIER -75.95 19.7 0.21 Allowed 'General case' 0 C--N 1.327 -0.402 0 O-C-N 121.349 -0.844 . . . . 2.82 111.395 -179.021 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 511' ' ' ALA . . . . . 0.437 ' H ' ' C ' ' A' ' 509' ' ' ARG . . . 76.51 148.03 0.1 Allowed 'General case' 0 C--O 1.233 0.23 0 C-N-CA 123.902 0.881 . . . . 0.69 112.042 174.802 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 63.9 mtt -100.39 -57.68 2.06 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.47 -0.786 . . . . 2.04 109.016 178.117 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 22.8 m -116.8 172.22 7.38 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.759 -0.655 . . . . 0.99 110.341 171.175 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 514' ' ' GLU . . . . . 0.527 ' HB2' ' CG ' ' A' ' 519' ' ' HIS . 1.2 mt-10 -106.4 162.09 14.0 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.065 -0.97 . . . . 0.98 109.534 177.503 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 515' ' ' CYS . . . . . 0.473 ' HB2' HG23 ' A' ' 521' ' ' VAL . 46.6 t -43.5 107.08 0.08 Allowed 'General case' 0 N--CA 1.468 0.436 0 O-C-N 123.842 0.714 . . . . 0.38 109.676 175.112 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 516' ' ' THR . . . . . 0.584 ' HA ' ' NE2' ' A' ' 519' ' ' HIS . 0.2 OUTLIER -65.66 -2.39 3.53 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 113.52 0.933 . . . . 0.67 113.52 -164.16 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -94.68 -13.01 54.98 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.367 -0.921 . . . . 0.4 112.597 177.196 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 518' ' ' CYS . . . . . 0.406 ' SG ' ' N ' ' A' ' 519' ' ' HIS . 30.8 p -153.46 -42.74 0.09 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.633 0.73 . . . . 0.34 111.529 -174.384 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 519' ' ' HIS . . . . . 0.584 ' NE2' ' HA ' ' A' ' 516' ' ' THR . 6.6 m170 69.38 25.44 5.52 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 114.463 -1.244 . . . . 0.31 109.826 -177.55 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 520' ' ' LYS . . . . . 0.421 ' NZ ' ' HB3' ' A' ' 520' ' ' LYS . 9.4 mtpm? -87.28 -3.27 59.03 Favored 'General case' 0 N--CA 1.461 0.116 0 CA-C-N 115.412 -0.813 . . . . 2.27 110.878 176.511 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 521' ' ' VAL . . . . . 0.473 HG23 ' HB2' ' A' ' 515' ' ' CYS . 13.1 m -146.73 166.05 7.22 Favored 'Isoleucine or valine' 0 C--O 1.237 0.44 0 N-CA-C 107.437 -1.32 . . . . 0.41 107.437 179.627 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -151.49 150.97 31.0 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.362 0.601 . . . . 1.19 111.578 -173.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 523' ' ' TYR . . . . . 0.494 ' HB3' ' HB2' ' A' ' 528' ' ' CYS . 71.3 m-85 -139.91 153.67 47.03 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.985 -1.007 . . . . 0.89 110.067 -177.095 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 524' ' ' CYS . . . . . 0.715 ' HB3' ' O ' ' A' ' 508' ' ' GLY . 21.3 p -57.73 -51.4 69.71 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 121.243 0.544 . . . . 0.36 110.579 -177.033 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 525' ' ' SER . . . . . 0.586 ' HB3' ' CE1' ' A' ' 527' ' ' PHE . 20.9 t -127.19 -175.05 3.32 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.396 -0.82 . . . . 1.18 110.591 179.504 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 9.0 m -69.74 -38.54 76.86 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.847 0.684 . . . . 0.46 112.847 -177.427 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 527' ' ' PHE . . . . . 0.586 ' CE1' ' HB3' ' A' ' 525' ' ' SER . 47.5 p90 -58.14 -42.79 86.64 Favored 'General case' 0 N--CA 1.466 0.325 0 N-CA-C 112.031 0.382 . . . . 0.44 112.031 -170.299 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 528' ' ' CYS . . . . . 0.75 ' HB3' HD22 ' A' ' 506' ' ' ASN . 0.0 OUTLIER -61.57 -35.94 79.22 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.321 0.581 . . . . 0.55 111.22 -179.721 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 529' ' ' GLN . . . . . 0.743 ' O ' ' HB3' ' A' ' 533' ' ' TRP . 31.2 tt0 -67.05 -45.53 77.11 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 115.075 -0.966 . . . . 2.38 109.066 -176.095 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 530' ' ' ARG . . . . . 0.561 ' O ' ' HE2' ' A' ' 534' ' ' LYS . 89.5 mtt180 -75.3 -41.6 56.59 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.588 -0.733 . . . . 3.94 112.212 -179.318 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 531' ' ' LYS . . . . . 0.444 ' O ' ' HG2' ' A' ' 534' ' ' LYS . 65.4 mttm -70.97 -43.49 67.97 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.409 0.522 . . . . 3.15 112.409 -174.384 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 532' ' ' ASP . . . . . 0.464 ' HB2' ' O ' ' A' ' 528' ' ' CYS . 0.3 OUTLIER -87.06 -22.96 25.11 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 112.869 0.692 . . . . 2.61 112.869 -172.378 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 533' ' ' TRP . . . . . 0.743 ' HB3' ' O ' ' A' ' 529' ' ' GLN . 0.0 OUTLIER -72.89 4.77 3.8 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 112.42 0.526 . . . . 0.62 112.42 -173.576 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 534' ' ' LYS . . . . . 0.561 ' HE2' ' O ' ' A' ' 530' ' ' ARG . 70.3 mmtt -54.65 -24.55 22.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 122.164 -0.335 . . . . 2.1 111.208 179.627 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 535' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -95.89 -31.08 13.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.468 0.651 . . . . 2.04 110.518 174.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 536' ' ' HIS . . . . . . . . . . . . . 26.9 t60 -77.46 -29.19 52.64 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 115.6 -0.727 . . . . 0.51 112.057 -176.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 537' ' ' GLN . . . . . 0.453 ' HB3' ' CE2' ' A' ' 533' ' ' TRP . 3.7 pt20 -50.28 -24.73 3.1 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 123.016 0.526 . . . . 1.3 111.592 179.035 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 538' ' ' HIS . . . . . . . . . . . . . 30.6 m-70 -78.11 -18.68 55.37 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.474 -0.784 . . . . 0.72 110.943 -177.307 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 539' ' ' ILE . . . . . . . . . . . . . 31.8 pt -119.99 -5.64 10.43 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.313 0 CA-C-O 120.816 0.341 . . . . 1.42 110.777 -172.204 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 5.1 t . . . . . 0 N--CA 1.446 -0.646 0 CA-C-O 121.546 0.688 . . . . 0.62 110.218 -178.865 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 503' ' ' SER . . . . . 0.636 ' HB2' ' O ' ' A' ' 508' ' ' GLY . 5.0 p . . . . . 0 N--CA 1.437 -1.082 0 N-CA-C 108.525 -0.917 . . . . 1.32 108.525 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 504' ' ' CYS . . . . . 0.745 ' HB2' ' HB3' ' A' ' 524' ' ' CYS . 38.9 t -61.8 122.1 14.54 Favored 'General case' 0 N--CA 1.44 -0.973 0 N-CA-C 108.286 -1.005 . . . . 0.47 108.286 171.697 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 505' ' ' VAL . . . . . 0.424 ' O ' HG12 ' A' ' 505' ' ' VAL . 14.2 t -74.27 20.58 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-O 121.86 0.838 . . . . 0.63 109.258 176.666 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 506' ' ' ASN . . . . . 0.541 ' H ' ' C ' ' A' ' 504' ' ' CYS . 22.6 t-20 -143.01 -38.78 0.34 Allowed 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 115.717 -0.674 . . . . 1.4 112.323 -173.66 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -136.03 -79.44 0.42 Allowed 'General case' 0 N--CA 1.464 0.245 0 C-N-CA 119.897 -0.721 . . . . 0.81 112.62 -175.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 508' ' ' GLY . . . . . 0.636 ' O ' ' HB2' ' A' ' 503' ' ' SER . . . -143.48 -94.49 0.19 Allowed Glycine 0 C--O 1.222 -0.605 0 C-N-CA 120.151 -1.023 . . . . 1.2 114.885 -165.281 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 509' ' ' ARG . . . . . 0.629 ' HB2' ' HB2' ' A' ' 524' ' ' CYS . 55.2 mtp180 -51.03 160.11 0.52 Allowed 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 123.92 0.888 . . . . 4.8 113.276 -168.017 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 510' ' ' GLU . . . . . 0.636 ' HA ' ' HA ' ' A' ' 503' ' ' SER . 29.7 mt-10 -73.75 18.26 0.14 Allowed 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.081 -0.963 . . . . 2.82 112.576 -173.085 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 511' ' ' ALA . . . . . 0.588 ' HA ' ' HA ' ' A' ' 524' ' ' CYS . . . 73.36 155.01 0.16 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.42 -0.809 . . . . 0.69 111.647 177.262 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 84.7 mtp -92.44 -63.41 1.23 Allowed 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.085 -1.08 . . . . 2.04 108.085 176.111 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 18.9 p -117.24 171.94 7.63 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 114.906 -1.043 . . . . 0.99 110.054 172.304 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 514' ' ' GLU . . . . . 0.593 ' HB3' ' HA ' ' A' ' 519' ' ' HIS . 49.6 mt-10 -88.89 160.99 16.92 Favored 'General case' 0 C--N 1.317 -0.816 0 N-CA-C 109.202 -0.666 . . . . 0.98 109.202 173.059 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 515' ' ' CYS . . . . . 0.651 ' HA ' ' OE1' ' A' ' 529' ' ' GLN . 44.6 t -40.32 107.83 0.08 Allowed 'General case' 0 C--O 1.221 -0.419 0 O-C-N 124.371 1.044 . . . . 0.38 110.765 179.173 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 39.3 p -58.89 -15.89 14.88 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 113.189 0.811 . . . . 0.67 113.189 -167.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -82.82 -10.91 82.43 Favored Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.481 -0.866 . . . . 0.4 113.226 179.441 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 518' ' ' CYS . . . . . 0.417 ' SG ' ' N ' ' A' ' 519' ' ' HIS . 28.4 p -160.87 -41.14 0.05 OUTLIER 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 117.46 0.63 . . . . 0.34 112.374 -173.599 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 519' ' ' HIS . . . . . 0.593 ' HA ' ' HB3' ' A' ' 514' ' ' GLU . 8.3 m170 71.43 31.35 2.33 Favored 'General case' 0 C--O 1.225 -0.234 0 C-N-CA 124.755 1.222 . . . . 0.31 110.202 -174.618 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -89.28 -9.23 51.36 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.492 -0.776 . . . . 2.27 110.977 175.454 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 521' ' ' VAL . . . . . 0.444 HG23 ' HB2' ' A' ' 515' ' ' CYS . 29.3 m -147.59 178.52 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 N-CA-C 108.152 -1.055 . . . . 0.41 108.152 -178.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 23.8 p-10 -155.72 148.61 24.29 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.251 0.548 . . . . 1.19 111.429 -177.494 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 523' ' ' TYR . . . . . 0.495 ' HB3' ' HB2' ' A' ' 528' ' ' CYS . 88.0 m-85 -138.48 145.48 40.88 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.155 -0.929 . . . . 0.89 109.79 -179.277 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 524' ' ' CYS . . . . . 0.745 ' HB3' ' HB2' ' A' ' 504' ' ' CYS . 22.1 p -50.65 -47.34 58.59 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 121.298 0.571 . . . . 0.36 111.143 -172.717 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 525' ' ' SER . . . . . 0.58 ' HB2' ' CE2' ' A' ' 527' ' ' PHE . 49.2 m -126.6 -178.84 4.51 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.132 -0.94 . . . . 1.18 111.094 175.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 32.1 m -68.06 -38.11 82.08 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.69 0.626 . . . . 0.46 112.69 -178.559 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 527' ' ' PHE . . . . . 0.58 ' CE2' ' HB2' ' A' ' 525' ' ' SER . 47.0 p90 -58.39 -39.77 80.55 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 112.345 0.498 . . . . 0.44 112.345 -170.718 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 528' ' ' CYS . . . . . 0.495 ' HB2' ' HB3' ' A' ' 523' ' ' TYR . 0.0 OUTLIER -63.95 -31.98 73.36 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.678 0.275 . . . . 0.55 111.301 -178.026 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 529' ' ' GLN . . . . . 0.735 ' O ' ' HB3' ' A' ' 533' ' ' TRP . 15.6 tt0 -67.79 -55.35 13.34 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.604 0.716 . . . . 2.38 109.506 -174.017 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 530' ' ' ARG . . . . . 0.632 ' O ' ' HE3' ' A' ' 534' ' ' LYS . 40.0 ptt180 -74.61 -26.23 59.77 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 114.792 -1.094 . . . . 3.94 111.628 -174.006 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 48.0 tptt -78.35 -41.68 32.76 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.297 0.57 . . . . 3.15 111.124 -178.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 532' ' ' ASP . . . . . 0.432 ' HB2' ' O ' ' A' ' 528' ' ' CYS . 0.7 OUTLIER -83.34 -30.76 27.21 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.602 -0.727 . . . . 2.61 112.42 -173.274 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 533' ' ' TRP . . . . . 0.735 ' HB3' ' O ' ' A' ' 529' ' ' GLN . 0.0 OUTLIER -67.16 4.96 0.78 Allowed 'General case' 0 C--O 1.214 -0.763 0 N-CA-C 113.884 1.068 . . . . 0.62 113.884 -165.273 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 534' ' ' LYS . . . . . 0.672 ' HD2' ' H ' ' A' ' 534' ' ' LYS . 0.0 OUTLIER -57.74 -20.42 34.6 Favored 'General case' 0 C--N 1.322 -0.59 0 O-C-N 121.162 -0.961 . . . . 2.1 111.444 176.22 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 535' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -97.03 -23.57 16.2 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 121.775 0.798 . . . . 2.04 110.37 173.256 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 536' ' ' HIS . . . . . 0.473 ' HB3' ' HA ' ' A' ' 533' ' ' TRP . 27.0 t60 -86.43 -31.5 21.37 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 115.014 -0.993 . . . . 0.51 112.964 -177.76 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 537' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -45.57 -24.54 0.35 Allowed 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.844 0.858 . . . . 1.3 112.057 179.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 538' ' ' HIS . . . . . . . . . . . . . 18.3 m-70 -78.46 -21.8 48.52 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.678 -0.692 . . . . 0.72 110.969 -178.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 539' ' ' ILE . . . . . . . . . . . . . 33.2 pt -120.59 10.3 6.31 Favored 'Isoleucine or valine' 0 C--O 1.236 0.362 0 CA-C-O 120.949 0.405 . . . . 1.42 111.062 -173.316 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 4.3 t . . . . . 0 N--CA 1.446 -0.653 0 N-CA-C 109.395 -0.594 . . . . 0.62 109.395 179.162 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 503' ' ' SER . . . . . 0.517 ' HB2' ' O ' ' A' ' 508' ' ' GLY . 1.0 OUTLIER . . . . . 0 N--CA 1.442 -0.829 0 N-CA-C 108.833 -0.803 . . . . 1.32 108.833 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 504' ' ' CYS . . . . . 0.843 ' HB2' ' HB3' ' A' ' 524' ' ' CYS . 45.8 t -87.69 146.9 25.48 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 108.355 -0.979 . . . . 0.47 108.355 166.27 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 505' ' ' VAL . . . . . 0.468 ' O ' HG12 ' A' ' 505' ' ' VAL . 43.1 t -85.78 9.84 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-O 121.603 0.716 . . . . 0.63 109.557 178.342 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 506' ' ' ASN . . . . . 0.421 HD22 ' CB ' ' A' ' 528' ' ' CYS . 53.2 t30 -142.45 -31.45 0.52 Allowed 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 112.81 0.67 . . . . 1.4 112.81 176.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -139.26 -99.77 0.16 Allowed 'General case' 0 N--CA 1.47 0.569 0 O-C-N 121.051 -1.031 . . . . 0.81 113.751 -175.307 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 508' ' ' GLY . . . . . 0.517 ' O ' ' HB2' ' A' ' 503' ' ' SER . . . -115.57 -99.77 2.23 Favored Glycine 0 C--O 1.218 -0.89 0 C-N-CA 120.751 -0.737 . . . . 1.2 114.914 -163.307 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 509' ' ' ARG . . . . . 0.956 ' HB2' ' HB2' ' A' ' 524' ' ' CYS . 0.0 OUTLIER -36.38 151.65 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.964 1.306 . . . . 4.8 113.641 -173.897 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 510' ' ' GLU . . . . . 0.413 ' HA ' ' CA ' ' A' ' 503' ' ' SER . 10.7 pt-20 -68.71 21.37 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 114.759 -1.11 . . . . 2.82 112.935 -175.776 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 511' ' ' ALA . . . . . 0.475 ' H ' ' C ' ' A' ' 509' ' ' ARG . . . 70.41 120.65 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.215 0 O-C-N 123.904 0.753 . . . . 0.69 111.058 -175.073 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 91.3 mtp -86.28 -60.73 1.92 Allowed 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.801 -0.815 . . . . 2.04 108.801 -178.495 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 5.3 p -117.63 155.14 30.39 Favored 'General case' 0 N--CA 1.443 -0.821 0 CA-C-N 115.527 -0.761 . . . . 0.99 110.757 172.414 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 514' ' ' GLU . . . . . 0.545 ' HB2' ' HB3' ' A' ' 519' ' ' HIS . 34.5 mt-10 -90.9 152.72 20.62 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 115.22 -0.9 . . . . 0.98 109.622 176.212 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 41.7 t -38.84 106.77 0.06 Allowed 'General case' 0 N--CA 1.469 0.52 0 O-C-N 124.347 1.029 . . . . 0.38 112.009 -176.287 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 19.1 p -47.51 -31.12 3.99 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 114.522 1.304 . . . . 0.67 114.522 -168.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -77.66 -6.64 87.03 Favored Glycine 0 CA--C 1.521 0.462 0 C-N-CA 120.504 -0.855 . . . . 0.4 113.418 -177.035 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 518' ' ' CYS . . . . . 0.49 ' SG ' ' N ' ' A' ' 519' ' ' HIS . 30.7 p -158.44 -48.32 0.06 Allowed 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 117.485 0.643 . . . . 0.34 111.668 -175.23 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 519' ' ' HIS . . . . . 0.545 ' HB3' ' HB2' ' A' ' 514' ' ' GLU . 5.6 m170 72.1 33.82 1.53 Allowed 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 125.131 1.372 . . . . 0.31 109.607 -173.287 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 57.6 mttp -98.74 -0.76 42.08 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.494 -0.775 . . . . 2.27 111.712 176.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 521' ' ' VAL . . . . . . . . . . . . . 26.8 m -139.08 165.37 23.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 107.35 -1.352 . . . . 0.41 107.35 173.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 522' ' ' ASN . . . . . 0.523 ' HB3' ' HG2' ' A' ' 514' ' ' GLU . 9.5 p30 -151.34 119.81 6.45 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.873 0.844 . . . . 1.19 112.134 -175.059 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 523' ' ' TYR . . . . . 0.597 ' HB2' ' HB2' ' A' ' 529' ' ' GLN . 10.3 m-85 -123.38 156.29 35.71 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 114.978 -1.01 . . . . 0.89 109.115 177.557 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 524' ' ' CYS . . . . . 0.956 ' HB2' ' HB2' ' A' ' 509' ' ' ARG . 22.8 p -51.6 -49.03 62.95 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 121.144 0.497 . . . . 0.36 111.26 -174.516 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 525' ' ' SER . . . . . 0.425 ' HB2' ' CE2' ' A' ' 527' ' ' PHE . 5.4 m -126.25 -178.01 4.17 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.348 -0.842 . . . . 1.18 111.227 -177.814 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 22.8 m -70.54 -39.77 73.83 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.523 -0.308 . . . . 0.46 111.646 179.287 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 527' ' ' PHE . . . . . 0.425 ' CE2' ' HB2' ' A' ' 525' ' ' SER . 26.8 p90 -58.09 -49.01 78.43 Favored 'General case' 0 N--CA 1.463 0.196 0 N-CA-C 112.739 0.644 . . . . 0.44 112.739 -170.522 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 528' ' ' CYS . . . . . 0.437 ' SG ' ' HB3' ' A' ' 523' ' ' TYR . 0.8 OUTLIER -70.39 -35.18 73.32 Favored 'General case' 0 N--CA 1.438 -1.059 0 CA-C-O 121.326 0.584 . . . . 0.55 111.203 -175.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 529' ' ' GLN . . . . . 0.68 ' O ' ' HB3' ' A' ' 533' ' ' TRP . 4.7 tt0 -67.73 -37.51 82.3 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.318 -0.856 . . . . 2.38 109.372 -177.715 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 530' ' ' ARG . . . . . 0.545 ' HA ' ' HD3' ' A' ' 530' ' ' ARG . 19.9 mmt-85 -78.62 -34.16 46.84 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.206 -0.906 . . . . 3.94 112.863 176.478 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 531' ' ' LYS . . . . . 0.458 ' O ' ' HG2' ' A' ' 534' ' ' LYS . 43.6 mmtm -71.7 -45.57 61.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 122.002 -0.436 . . . . 3.15 111.415 -178.519 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 532' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -82.06 -8.96 59.69 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.03 -0.532 . . . . 2.61 112.178 -175.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 533' ' ' TRP . . . . . 0.68 ' HB3' ' O ' ' A' ' 529' ' ' GLN . 0.0 OUTLIER -74.27 4.64 5.45 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.418 -0.356 . . . . 0.62 111.696 -176.435 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 534' ' ' LYS . . . . . 0.711 ' HE2' ' HA ' ' A' ' 534' ' ' LYS . 9.7 mmpt? -52.12 -29.4 21.68 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 120.837 0.351 . . . . 2.1 111.523 -179.172 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 535' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -93.65 -22.72 18.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.699 0.762 . . . . 2.04 110.388 175.279 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 536' ' ' HIS . . . . . 0.419 ' HB3' ' HA ' ' A' ' 533' ' ' TRP . 59.8 t60 -87.0 -25.92 24.03 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 115.483 -0.781 . . . . 0.51 112.193 -173.535 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 537' ' ' GLN . . . . . 0.615 ' HB3' ' CE2' ' A' ' 533' ' ' TRP . 3.9 pt20 -54.53 -23.24 15.67 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 121.548 0.69 . . . . 1.3 110.737 178.656 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 538' ' ' HIS . . . . . . . . . . . . . 26.9 m-70 -76.49 -16.48 59.64 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.794 -1.094 . . . . 0.72 111.505 -178.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 539' ' ' ILE . . . . . . . . . . . . . 15.4 tt -121.35 -10.53 9.34 Favored 'Isoleucine or valine' 0 C--O 1.233 0.197 0 CA-C-O 121.29 0.567 . . . . 1.42 110.852 -174.002 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 N--CA 1.446 -0.655 0 C-N-CA 119.871 -0.732 . . . . 0.62 109.817 179.328 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 503' ' ' SER . . . . . 0.729 ' HB3' ' HA ' ' A' ' 510' ' ' GLU . 33.6 m . . . . . 0 N--CA 1.449 -0.509 0 N-CA-C 108.795 -0.817 . . . . 1.32 108.795 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 504' ' ' CYS . . . . . 0.735 ' HB2' ' HB3' ' A' ' 524' ' ' CYS . 42.8 t -80.96 121.05 25.54 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 107.914 -1.143 . . . . 0.47 107.914 164.627 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 505' ' ' VAL . . . . . 0.764 ' HB ' ' CE1' ' A' ' 523' ' ' TYR . 43.8 t -68.13 -4.24 3.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 121.482 0.658 . . . . 0.63 109.803 177.564 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 506' ' ' ASN . . . . . 0.486 ' HB3' ' HB3' ' A' ' 528' ' ' CYS . 6.8 t30 -113.31 -44.19 3.27 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 115.95 -0.568 . . . . 1.4 111.886 -179.169 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -133.48 -82.36 0.47 Allowed 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 113.175 0.805 . . . . 0.81 113.175 -173.095 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 508' ' ' GLY . . . . . 0.479 ' N ' ' HB3' ' A' ' 504' ' ' CYS . . . -140.65 -102.03 0.48 Allowed Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.59 -0.814 . . . . 1.2 114.91 -165.25 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 509' ' ' ARG . . . . . 0.812 ' HB3' ' HB2' ' A' ' 524' ' ' CYS . 19.8 tpp180 -35.55 142.67 0.06 Allowed 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.754 1.222 . . . . 4.8 112.759 -172.759 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 510' ' ' GLU . . . . . 0.729 ' HA ' ' HB3' ' A' ' 503' ' ' SER . 1.6 pm0 -68.84 20.13 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 113.702 1.001 . . . . 2.82 113.702 -170.356 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 511' ' ' ALA . . . . . 0.561 ' CB ' ' HB2' ' A' ' 522' ' ' ASN . . . 73.85 137.64 0.06 Allowed 'General case' 0 CA--C 1.518 -0.279 0 C-N-CA 123.723 0.809 . . . . 0.69 111.72 177.804 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 64.6 mtt -89.26 -49.09 6.93 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.468 -0.938 . . . . 2.04 108.468 176.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 73.6 m -118.37 160.46 21.64 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.569 -0.741 . . . . 0.99 110.084 168.331 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 514' ' ' GLU . . . . . 0.463 ' HB3' ' HA ' ' A' ' 519' ' ' HIS . 40.1 mt-10 -88.09 160.31 17.86 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.486 -0.931 . . . . 0.98 108.486 170.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 38.4 t -40.69 112.53 0.3 Allowed 'General case' 0 N--CA 1.47 0.558 0 O-C-N 123.903 0.752 . . . . 0.38 111.155 -176.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 24.9 p -64.12 0.13 1.02 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 114.008 1.114 . . . . 0.67 114.008 -166.353 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -103.03 -12.27 32.18 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.16 -1.019 . . . . 0.4 112.714 177.25 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 518' ' ' CYS . . . . . 1.015 ' HB2' ' HD3' ' A' ' 520' ' ' LYS . 31.2 p -152.96 -39.65 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.148 0.499 . . . . 0.34 111.727 -174.447 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 519' ' ' HIS . . . . . 0.463 ' HA ' ' HB3' ' A' ' 514' ' ' GLU . 6.1 m170 62.03 36.49 15.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.237 -0.892 . . . . 0.31 109.408 -172.725 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 520' ' ' LYS . . . . . 1.015 ' HD3' ' HB2' ' A' ' 518' ' ' CYS . 4.9 mptp? -91.07 -12.66 34.99 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.683 -0.689 . . . . 2.27 110.534 174.076 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 521' ' ' VAL . . . . . . . . . . . . . 16.1 m -146.92 163.64 7.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 N-CA-C 106.948 -1.501 . . . . 0.41 106.948 -177.35 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 522' ' ' ASN . . . . . 0.561 ' HB2' ' CB ' ' A' ' 511' ' ' ALA . 22.0 p-10 -140.08 147.15 39.87 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.324 0.583 . . . . 1.19 111.498 -175.58 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 523' ' ' TYR . . . . . 0.841 ' HB3' ' HB2' ' A' ' 528' ' ' CYS . 97.0 m-85 -140.81 141.99 34.69 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 115.366 -0.834 . . . . 0.89 110.744 -176.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 524' ' ' CYS . . . . . 0.812 ' HB2' ' HB3' ' A' ' 509' ' ' ARG . 14.8 p -52.03 -45.55 64.69 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-O 121.102 0.477 . . . . 0.36 110.758 -173.47 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 525' ' ' SER . . . . . 0.417 ' HB2' ' CE2' ' A' ' 527' ' ' PHE . 6.2 m -124.96 -179.28 4.48 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.265 -0.88 . . . . 1.18 111.314 -177.222 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 91.1 m -72.38 -41.84 65.9 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.382 0.512 . . . . 0.46 112.382 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 527' ' ' PHE . . . . . 0.417 ' CE2' ' HB2' ' A' ' 525' ' ' SER . 48.8 p90 -58.21 -36.56 73.31 Favored 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 111.712 0.264 . . . . 0.44 111.712 -174.68 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 528' ' ' CYS . . . . . 0.841 ' HB2' ' HB3' ' A' ' 523' ' ' TYR . 0.0 OUTLIER -60.68 -41.35 94.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.962 0.411 . . . . 0.55 110.75 179.492 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 529' ' ' GLN . . . . . 0.478 ' O ' ' HB3' ' A' ' 533' ' ' TRP . 36.0 tt0 -63.59 -41.48 98.35 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.305 -0.861 . . . . 2.38 109.246 -177.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 19.2 mmm180 -74.32 -45.62 46.2 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.172 -0.922 . . . . 3.94 111.731 -176.281 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? -56.44 -51.49 68.21 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 121.101 0.476 . . . . 3.15 111.202 -178.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 532' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -64.61 -34.3 77.95 Favored 'General case' 0 CA--C 1.506 -0.747 0 CA-C-N 115.485 -0.78 . . . . 2.61 111.504 -179.289 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 533' ' ' TRP . . . . . 1.054 ' HA ' ' HB3' ' A' ' 536' ' ' HIS . 0.0 OUTLIER -68.56 -9.23 48.09 Favored 'General case' 0 N--CA 1.434 -1.25 0 CA-C-N 115.292 -0.867 . . . . 0.62 111.823 -166.42 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 28.4 mmtp -60.6 -26.28 66.86 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.572 0.701 . . . . 2.1 109.126 175.662 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 535' ' ' ASP . . . . . 0.401 ' O ' ' HD2' ' A' ' 538' ' ' HIS . 4.1 m-20 -99.81 -42.0 7.01 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 114.821 -1.081 . . . . 2.04 109.485 171.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 536' ' ' HIS . . . . . 1.054 ' HB3' ' HA ' ' A' ' 533' ' ' TRP . 50.0 t60 -62.7 -28.98 70.32 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 115.073 -0.967 . . . . 0.51 113.073 -177.585 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 537' ' ' GLN . . . . . 0.427 ' HB3' ' CE2' ' A' ' 533' ' ' TRP . 3.7 pt20 -48.19 -28.57 3.07 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.086 0.555 . . . . 1.3 111.995 178.762 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 538' ' ' HIS . . . . . 0.401 ' HD2' ' O ' ' A' ' 535' ' ' ASP . 70.4 m-70 -73.81 -16.59 61.15 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.123 -0.49 . . . . 0.72 111.237 -178.321 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 539' ' ' ILE . . . . . . . . . . . . . 31.1 pt -120.42 -5.58 10.11 Favored 'Isoleucine or valine' 0 C--O 1.232 0.159 0 C-N-CA 120.966 -0.293 . . . . 1.42 111.372 -176.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 2.0 t . . . . . 0 N--CA 1.451 -0.389 0 N-CA-C 109.081 -0.711 . . . . 0.62 109.081 177.263 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 503' ' ' SER . . . . . 0.479 ' HB2' ' O ' ' A' ' 509' ' ' ARG . 22.8 p . . . . . 0 N--CA 1.44 -0.94 0 N-CA-C 109.842 -0.429 . . . . 1.32 109.842 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 504' ' ' CYS . . . . . 0.779 ' HB2' ' HB3' ' A' ' 524' ' ' CYS . 35.9 t -52.74 132.75 36.77 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 109.016 -0.735 . . . . 0.47 109.016 174.121 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 505' ' ' VAL . . . . . 0.437 ' O ' HG12 ' A' ' 505' ' ' VAL . 14.1 t -77.62 20.26 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-O 121.825 0.821 . . . . 0.63 109.374 178.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 506' ' ' ASN . . . . . 0.881 HD22 ' HB3' ' A' ' 528' ' ' CYS . 43.5 t30 -148.76 -37.73 0.17 Allowed 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 115.595 -0.729 . . . . 1.4 112.669 -176.213 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -134.95 -96.23 0.26 Allowed 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 113.772 1.027 . . . . 0.81 113.772 -175.474 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 508' ' ' GLY . . . . . . . . . . . . . . . -124.42 -86.71 0.71 Allowed Glycine 0 C--N 1.335 0.478 0 N-CA-C 115.488 0.955 . . . . 1.2 115.488 -162.329 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 509' ' ' ARG . . . . . 0.743 ' HB2' ' HB2' ' A' ' 524' ' ' CYS . 58.1 mtt85 -47.38 156.16 0.29 Allowed 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 123.837 0.855 . . . . 4.8 112.492 -171.623 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 510' ' ' GLU . . . . . 0.542 ' CD ' ' H ' ' A' ' 510' ' ' GLU . 1.3 pm0 -77.32 19.95 0.31 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.294 -0.867 . . . . 2.82 111.209 -179.247 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 511' ' ' ALA . . . . . 0.582 ' HB2' HD22 ' A' ' 522' ' ' ASN . . . 77.35 146.19 0.09 Allowed 'General case' 0 CA--C 1.52 -0.188 0 C-N-CA 123.963 0.905 . . . . 0.69 112.115 174.692 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 46.9 mtt -92.36 -63.7 1.2 Allowed 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.127 -1.064 . . . . 2.04 108.127 176.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 6.6 p -117.84 172.54 7.31 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.181 -0.918 . . . . 0.99 110.428 172.63 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 514' ' ' GLU . . . . . 0.461 ' HB3' ' HA ' ' A' ' 519' ' ' HIS . 29.9 mt-10 -88.72 154.99 19.85 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 108.377 -0.971 . . . . 0.98 108.377 171.352 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 16.7 t -41.45 112.34 0.3 Allowed 'General case' 0 N--CA 1.47 0.557 0 O-C-N 123.517 0.511 . . . . 0.38 110.423 178.368 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 73.9 p -65.42 -4.36 5.58 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 112.671 0.619 . . . . 0.67 112.671 -169.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -89.66 -14.65 59.42 Favored Glycine 0 N--CA 1.443 -0.868 0 C-N-CA 120.528 -0.844 . . . . 0.4 112.396 177.528 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 518' ' ' CYS . . . . . 0.502 ' HB2' ' HG3' ' A' ' 520' ' ' LYS . 30.1 p -156.95 -37.15 0.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.317 0.58 . . . . 0.34 112.16 -175.621 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 519' ' ' HIS . . . . . 0.461 ' HA ' ' HB3' ' A' ' 514' ' ' GLU . 10.4 m170 67.96 25.0 7.78 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 114.552 -1.204 . . . . 0.31 110.148 -173.489 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 520' ' ' LYS . . . . . 0.502 ' HG3' ' HB2' ' A' ' 518' ' ' CYS . 7.4 mtpm? -84.99 -10.37 57.1 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 115.861 -0.608 . . . . 2.27 110.781 178.733 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 521' ' ' VAL . . . . . . . . . . . . . 28.4 m -148.43 173.8 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 107.604 -1.258 . . . . 0.41 107.604 -178.053 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 522' ' ' ASN . . . . . 0.582 HD22 ' HB2' ' A' ' 511' ' ' ALA . 3.6 p-10 -146.34 150.12 35.1 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 120.66 -0.416 . . . . 1.19 111.134 -177.069 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 523' ' ' TYR . . . . . 0.517 ' CD2' ' HB2' ' A' ' 528' ' ' CYS . 93.7 m-85 -136.23 148.51 48.09 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.864 -0.607 . . . . 0.89 110.181 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 524' ' ' CYS . . . . . 0.779 ' HB3' ' HB2' ' A' ' 504' ' ' CYS . 20.3 p -57.09 -47.41 81.09 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.151 0.501 . . . . 0.36 111.062 -176.189 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 525' ' ' SER . . . . . 0.414 ' HB3' ' CE2' ' A' ' 527' ' ' PHE . 23.1 t -126.5 -177.93 4.17 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.524 -0.762 . . . . 1.18 110.495 179.463 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 21.9 m -70.59 -37.67 73.93 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.241 0.46 . . . . 0.46 112.241 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 527' ' ' PHE . . . . . 0.414 ' CE2' ' HB3' ' A' ' 525' ' ' SER . 32.1 p90 -58.59 -42.54 88.31 Favored 'General case' 0 N--CA 1.462 0.153 0 N-CA-C 112.451 0.537 . . . . 0.44 112.451 -171.379 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 528' ' ' CYS . . . . . 0.881 ' HB3' HD22 ' A' ' 506' ' ' ASN . 0.0 OUTLIER -65.99 -35.06 79.54 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-O 121.133 0.492 . . . . 0.55 110.847 -179.516 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 529' ' ' GLN . . . . . 0.614 ' O ' ' HB3' ' A' ' 533' ' ' TRP . 8.5 tt0 -63.37 -43.24 98.21 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 115.487 -0.779 . . . . 2.38 109.495 -175.763 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 530' ' ' ARG . . . . . 0.492 ' HA ' ' HD3' ' A' ' 530' ' ' ARG . 11.4 mmt180 -77.15 -46.39 23.57 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.476 -0.784 . . . . 3.94 112.323 178.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 48.9 mtpt -56.99 -57.39 12.76 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 121.349 0.595 . . . . 3.15 111.374 -178.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 532' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.57 -24.12 67.01 Favored 'General case' 0 CA--C 1.508 -0.642 0 CA-C-N 115.389 -0.823 . . . . 2.61 112.23 -176.159 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 533' ' ' TRP . . . . . 1.098 ' HA ' ' HB3' ' A' ' 536' ' ' HIS . 0.0 OUTLIER -73.55 -6.27 45.47 Favored 'General case' 0 N--CA 1.436 -1.133 0 CA-C-N 115.944 -0.571 . . . . 0.62 110.761 -175.864 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 534' ' ' LYS . . . . . 0.623 ' HE2' ' HA ' ' A' ' 534' ' ' LYS . 11.0 mmmm -67.56 -16.13 64.02 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 119.131 -1.028 . . . . 2.1 109.513 175.103 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 535' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -104.78 -40.46 5.96 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 114.747 -1.115 . . . . 2.04 109.744 167.145 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 536' ' ' HIS . . . . . 1.098 ' HB3' ' HA ' ' A' ' 533' ' ' TRP . 28.5 t60 -62.73 -26.38 68.66 Favored 'General case' 0 CA--C 1.55 0.954 0 N-CA-C 113.233 0.827 . . . . 0.51 113.233 -179.441 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 537' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -45.65 -29.11 1.14 Allowed 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 122.946 0.498 . . . . 1.3 111.596 176.32 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 538' ' ' HIS . . . . . . . . . . . . . 20.4 m-70 -70.23 -24.99 63.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.894 -0.594 . . . . 0.72 111.668 -179.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 539' ' ' ILE . . . . . . . . . . . . . 28.4 pt -119.79 4.54 6.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 120.78 0.324 . . . . 1.42 111.081 -170.192 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 3.4 t . . . . . 0 N--CA 1.448 -0.56 0 N-CA-C 109.5 -0.556 . . . . 0.62 109.5 179.104 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 503' ' ' SER . . . . . 0.655 ' HB2' ' O ' ' A' ' 509' ' ' ARG . 32.2 p . . . . . 0 N--CA 1.444 -0.734 0 CA-C-O 120.82 0.343 . . . . 1.32 110.078 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 504' ' ' CYS . . . . . 0.919 ' HB2' ' HB3' ' A' ' 524' ' ' CYS . 45.4 t -92.91 132.17 37.27 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 108.524 -0.917 . . . . 0.47 108.524 171.379 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 505' ' ' VAL . . . . . 0.567 ' HB ' ' CE1' ' A' ' 523' ' ' TYR . 2.7 t -80.86 12.18 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 121.324 0.583 . . . . 0.63 109.71 178.193 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 506' ' ' ASN . . . . . 0.489 ' HB3' ' HB3' ' A' ' 528' ' ' CYS . 11.8 t-20 -131.89 -39.12 1.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 1.4 111.214 -178.438 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 507' ' ' CYS . . . . . 0.425 ' HB2' ' H ' ' A' ' 508' ' ' GLY . 0.6 OUTLIER -122.14 -96.33 0.47 Allowed 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.456 -0.572 . . . . 0.81 109.456 176.354 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 508' ' ' GLY . . . . . 0.425 ' H ' ' HB2' ' A' ' 507' ' ' CYS . . . 162.74 52.58 0.02 OUTLIER Glycine 0 N--CA 1.443 -0.862 0 C-N-CA 120.19 -1.005 . . . . 1.2 114.567 171.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 509' ' ' ARG . . . . . 1.107 ' HB3' ' HB2' ' A' ' 524' ' ' CYS . 1.6 tpt180 -104.77 159.86 15.44 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 106.244 -1.762 . . . . 4.8 106.244 161.499 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -64.2 10.87 0.05 Allowed 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 115.593 1.701 . . . . 2.82 115.593 -162.137 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 511' ' ' ALA . . . . . 0.572 ' HA ' ' HA ' ' A' ' 524' ' ' CYS . . . 67.83 142.28 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 121.619 0.724 . . . . 0.69 111.877 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 81.2 mtp -114.43 -66.77 1.05 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.058 -0.519 . . . . 2.04 109.843 179.014 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 7.2 p -117.52 172.52 7.28 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.668 0.747 . . . . 0.99 111.177 175.045 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 514' ' ' GLU . . . . . 0.528 ' HB3' ' HA ' ' A' ' 519' ' ' HIS . 29.2 mt-10 -98.22 154.01 18.08 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 114.65 -1.159 . . . . 0.98 110.024 179.257 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 12.0 t -41.73 112.9 0.36 Allowed 'General case' 0 N--CA 1.468 0.439 0 O-C-N 123.829 0.706 . . . . 0.38 111.13 178.063 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 18.6 p -66.53 5.35 0.6 Allowed 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 113.167 0.803 . . . . 0.67 113.167 -172.142 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -97.58 -15.34 37.76 Favored Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 120.56 -0.829 . . . . 0.4 112.249 175.374 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 30.2 p -157.03 -34.73 0.08 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.52 0.676 . . . . 0.34 112.07 -174.471 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 519' ' ' HIS . . . . . 0.528 ' HA ' ' HB3' ' A' ' 514' ' ' GLU . 9.4 m170 60.9 32.06 20.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 114.628 -1.169 . . . . 0.31 109.926 -171.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 61.9 mtpt -90.07 -10.22 45.56 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.714 -0.676 . . . . 2.27 110.366 177.333 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 521' ' ' VAL . . . . . . . . . . . . . 27.0 m -145.57 167.18 9.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 107.117 -1.438 . . . . 0.41 107.117 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 522' ' ' ASN . . . . . 0.485 ' O ' HG23 ' A' ' 505' ' ' VAL . 8.5 p30 -144.76 150.83 37.9 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 120.88 0.371 . . . . 1.19 110.661 -177.493 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 523' ' ' TYR . . . . . 0.648 ' HB3' ' HB2' ' A' ' 528' ' ' CYS . 87.5 m-85 -137.54 157.99 45.34 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.961 -0.563 . . . . 0.89 110.651 -176.473 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 524' ' ' CYS . . . . . 1.107 ' HB2' ' HB3' ' A' ' 509' ' ' ARG . 13.0 p -64.39 -42.18 96.27 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.427 0.632 . . . . 0.36 110.597 -175.32 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 17.3 m -126.77 177.33 6.64 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.14 -0.937 . . . . 1.18 111.234 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 13.4 m -71.03 -41.51 70.74 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.276 0.473 . . . . 0.46 112.276 177.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 527' ' ' PHE . . . . . . . . . . . . . 45.2 p90 -58.9 -33.86 71.02 Favored 'General case' 0 C--N 1.333 -0.113 0 C-N-CA 120.993 -0.283 . . . . 0.44 111.416 -175.164 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 528' ' ' CYS . . . . . 0.648 ' HB2' ' HB3' ' A' ' 523' ' ' TYR . 0.5 OUTLIER -60.69 -41.4 95.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.804 0.335 . . . . 0.55 110.936 177.939 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 529' ' ' GLN . . . . . 0.559 ' O ' ' HB3' ' A' ' 533' ' ' TRP . 37.3 tt0 -60.77 -43.23 98.31 Favored 'General case' 0 C--O 1.218 -0.561 0 N-CA-C 108.819 -0.808 . . . . 2.38 108.819 -177.248 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 66.9 mtp180 -74.69 -46.82 35.27 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.024 -0.989 . . . . 3.94 111.679 -178.46 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -59.48 -55.24 37.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.836 -0.62 . . . . 3.15 111.182 -177.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 532' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -63.17 -33.35 75.27 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.097 -0.956 . . . . 2.61 111.67 -178.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 533' ' ' TRP . . . . . 1.045 ' HA ' ' HB3' ' A' ' 536' ' ' HIS . 0.0 OUTLIER -63.89 -10.01 18.41 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.277 -0.874 . . . . 0.62 112.321 -168.299 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 534' ' ' LYS . . . . . 0.415 ' HA ' ' HD3' ' A' ' 534' ' ' LYS . 58.8 mmtt -63.15 -20.07 65.06 Favored 'General case' 0 C--N 1.319 -0.743 0 O-C-N 121.277 -0.889 . . . . 2.1 109.463 174.685 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 535' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -99.81 -44.83 5.94 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.141 -0.936 . . . . 2.04 109.473 169.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 536' ' ' HIS . . . . . 1.045 ' HB3' ' HA ' ' A' ' 533' ' ' TRP . 58.2 t60 -61.49 -31.75 71.74 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 113.823 1.045 . . . . 0.51 113.823 -178.247 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 537' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -46.58 -31.39 2.78 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.224 0.609 . . . . 1.3 112.176 -178.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 538' ' ' HIS . . . . . . . . . . . . . 51.9 m-70 -72.12 -16.65 62.0 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.94 -0.573 . . . . 0.72 111.548 -177.21 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 539' ' ' ILE . . . . . . . . . . . . . 27.1 pt -120.46 0.32 7.51 Favored 'Isoleucine or valine' 0 C--O 1.237 0.407 0 C-N-CA 120.761 -0.375 . . . . 1.42 111.682 -175.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 4.1 t . . . . . 0 N--CA 1.45 -0.469 0 CA-C-O 121.17 0.51 . . . . 0.62 109.962 -179.229 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 503' ' ' SER . . . . . 0.645 ' HA ' ' HA ' ' A' ' 510' ' ' GLU . 67.4 m . . . . . 0 N--CA 1.44 -0.974 0 N-CA-C 105.734 -1.95 . . . . 1.32 105.734 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 504' ' ' CYS . . . . . 0.802 ' HB2' ' HB3' ' A' ' 524' ' ' CYS . 46.4 t -53.04 111.35 0.66 Allowed 'General case' 0 N--CA 1.441 -0.913 0 C-N-CA 118.764 -1.174 . . . . 0.47 108.612 167.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 39.9 t -67.6 -4.42 2.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-O 121.711 0.767 . . . . 0.63 109.277 178.452 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 506' ' ' ASN . . . . . 0.445 ' HB3' ' SG ' ' A' ' 504' ' ' CYS . 6.5 t30 -106.7 -43.03 4.81 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.422 -0.808 . . . . 1.4 111.843 -176.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -138.18 -82.44 0.32 Allowed 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 113.981 1.104 . . . . 0.81 113.981 -176.719 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 508' ' ' GLY . . . . . . . . . . . . . . . -117.2 -112.39 2.64 Favored Glycine 0 C--N 1.335 0.493 0 N-CA-C 116.105 1.202 . . . . 1.2 116.105 -159.355 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 509' ' ' ARG . . . . . 0.427 HH11 ' HD3' ' A' ' 509' ' ' ARG . 0.0 OUTLIER -66.66 -178.77 0.75 Allowed 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 114.747 -0.726 . . . . 4.8 111.858 -169.918 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 510' ' ' GLU . . . . . 0.645 ' HA ' ' HA ' ' A' ' 503' ' ' SER . 8.6 pt-20 -56.98 -50.34 72.98 Favored 'General case' 0 N--CA 1.462 0.16 0 N-CA-C 112.131 0.419 . . . . 2.82 112.131 -167.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 511' ' ' ALA . . . . . 0.533 ' HB2' ' HB2' ' A' ' 522' ' ' ASN . . . 161.15 166.37 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 123.782 0.676 . . . . 0.69 111.161 -178.359 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 67.2 mtt -105.04 -61.68 1.44 Allowed 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 107.838 -1.171 . . . . 2.04 107.838 164.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 19.6 m -118.8 170.92 8.59 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.403 -0.817 . . . . 0.99 110.389 172.018 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 514' ' ' GLU . . . . . 0.574 ' HG2' ' HB3' ' A' ' 522' ' ' ASN . 36.5 mt-10 -101.84 156.95 17.2 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 108.57 -0.9 . . . . 0.98 108.57 171.404 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 515' ' ' CYS . . . . . 0.447 ' HB2' HG23 ' A' ' 521' ' ' VAL . 35.8 t -39.16 108.87 0.09 Allowed 'General case' 0 C--O 1.217 -0.635 0 O-C-N 124.012 0.82 . . . . 0.38 111.347 -176.189 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 32.9 p -63.15 1.23 0.49 Allowed 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.345 0.869 . . . . 0.67 113.345 -169.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -99.32 -11.99 43.39 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.684 -0.77 . . . . 0.4 113.03 176.091 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 24.8 p -161.52 -34.75 0.05 OUTLIER 'General case' 0 CA--C 1.534 0.33 0 CA-C-O 121.542 0.686 . . . . 0.34 111.583 -174.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 519' ' ' HIS . . . . . 0.489 ' HB3' ' HB2' ' A' ' 514' ' ' GLU . 5.5 m170 66.98 32.43 6.37 Favored 'General case' 0 C--O 1.224 -0.268 0 C-N-CA 124.985 1.314 . . . . 0.31 110.099 -176.266 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 51.5 mttp -85.59 -11.82 53.04 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.291 -0.413 . . . . 2.27 111.15 176.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 521' ' ' VAL . . . . . 0.447 HG23 ' HB2' ' A' ' 515' ' ' CYS . 10.5 m -141.29 159.19 22.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 107.475 -1.306 . . . . 0.41 107.475 -177.203 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 522' ' ' ASN . . . . . 0.574 ' HB3' ' HG2' ' A' ' 514' ' ' GLU . 3.0 p-10 -137.48 145.61 43.26 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 121.299 0.571 . . . . 1.19 111.28 -172.104 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 523' ' ' TYR . . . . . 0.892 ' HB3' ' HB2' ' A' ' 528' ' ' CYS . 84.9 m-85 -138.71 147.95 43.36 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 114.947 -1.024 . . . . 0.89 110.192 -172.695 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 524' ' ' CYS . . . . . 0.802 ' HB3' ' HB2' ' A' ' 504' ' ' CYS . 11.6 p -69.43 -36.95 77.16 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 115.39 -0.823 . . . . 0.36 111.166 -174.468 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 45.4 m -127.37 177.57 6.63 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.942 -0.572 . . . . 1.18 111.21 175.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 69.1 m -70.93 -41.59 70.99 Favored 'General case' 0 C--O 1.236 0.355 0 N-CA-C 112.249 0.463 . . . . 0.46 112.249 178.38 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 527' ' ' PHE . . . . . . . . . . . . . 43.1 p90 -58.72 -34.78 71.72 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 120.986 -0.286 . . . . 0.44 110.942 -176.423 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 528' ' ' CYS . . . . . 0.892 ' HB2' ' HB3' ' A' ' 523' ' ' TYR . 2.1 m -56.55 -46.85 80.45 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-O 121.244 0.545 . . . . 0.55 110.907 178.405 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 529' ' ' GLN . . . . . 0.796 ' O ' ' HB3' ' A' ' 533' ' ' TRP . 14.7 tt0 -62.57 -44.19 96.95 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 114.995 -1.002 . . . . 2.38 109.214 -175.175 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 530' ' ' ARG . . . . . 0.573 ' O ' ' HE2' ' A' ' 534' ' ' LYS . 37.8 mtp180 -74.73 -33.81 62.43 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 114.955 -1.021 . . . . 3.94 111.713 -175.572 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 531' ' ' LYS . . . . . 0.711 ' O ' ' HG2' ' A' ' 534' ' ' LYS . 66.6 mttm -77.67 -52.79 8.41 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.029 0.381 . . . . 3.15 112.029 -176.753 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 532' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -66.77 -27.23 67.42 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.344 0.593 . . . . 2.61 111.114 -176.52 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 533' ' ' TRP . . . . . 0.796 ' HB3' ' O ' ' A' ' 529' ' ' GLN . 0.0 OUTLIER -71.24 0.28 8.28 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.639 -0.709 . . . . 0.62 112.329 -171.355 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 534' ' ' LYS . . . . . 0.711 ' HG2' ' O ' ' A' ' 531' ' ' LYS . 65.4 mmtt -60.38 -28.57 68.31 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 108.349 -0.982 . . . . 2.1 108.349 173.719 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 535' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -85.1 -45.43 12.09 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 114.613 -1.176 . . . . 2.04 109.819 173.524 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 536' ' ' HIS . . . . . 0.771 ' HB3' ' HA ' ' A' ' 533' ' ' TRP . 37.9 t60 -67.79 -31.84 72.0 Favored 'General case' 0 CA--C 1.551 1.003 0 N-CA-C 114.164 1.172 . . . . 0.51 114.164 -176.058 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 537' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -50.08 -25.6 3.62 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.136 0.575 . . . . 1.3 112.182 -177.076 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 538' ' ' HIS . . . . . . . . . . . . . 42.4 m-70 -74.7 -17.29 60.69 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.066 -0.516 . . . . 0.72 111.053 -177.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 539' ' ' ILE . . . . . 0.437 HG12 ' O ' ' A' ' 536' ' ' HIS . 29.0 pt -120.87 -7.59 10.26 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 C-N-CA 120.581 -0.448 . . . . 1.42 110.873 -172.48 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 4.7 t . . . . . 0 N--CA 1.447 -0.622 0 CA-C-O 121.478 0.656 . . . . 0.62 110.153 -177.635 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 503' ' ' SER . . . . . 0.744 ' HA ' ' HA ' ' A' ' 510' ' ' GLU . 23.3 m . . . . . 0 N--CA 1.444 -0.758 0 N-CA-C 106.889 -1.523 . . . . 1.32 106.889 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 504' ' ' CYS . . . . . 0.65 ' HB2' ' HB3' ' A' ' 524' ' ' CYS . 49.1 t -48.88 119.47 3.2 Favored 'General case' 0 N--CA 1.443 -0.79 0 C-N-CA 119.028 -1.069 . . . . 0.47 109.1 171.491 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 505' ' ' VAL . . . . . 0.434 ' O ' HG12 ' A' ' 505' ' ' VAL . 21.3 t -76.17 19.87 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-O 122.05 0.929 . . . . 0.63 109.38 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 506' ' ' ASN . . . . . 0.519 ' H ' ' C ' ' A' ' 504' ' ' CYS . 3.0 t-20 -139.0 -40.91 0.48 Allowed 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 115.265 -0.879 . . . . 1.4 112.438 -179.161 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -137.26 -87.45 0.29 Allowed 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 114.076 1.139 . . . . 0.81 114.076 -174.78 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 508' ' ' GLY . . . . . . . . . . . . . . . -112.47 -115.06 3.36 Favored Glycine 0 N--CA 1.451 -0.334 0 N-CA-C 115.445 0.938 . . . . 1.2 115.445 -159.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 509' ' ' ARG . . . . . . . . . . . . . 52.5 mtm180 -65.07 -178.83 0.49 Allowed 'General case' 0 CA--C 1.517 -0.29 0 C-N-CA 123.065 0.546 . . . . 4.8 111.581 -169.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 510' ' ' GLU . . . . . 0.744 ' HA ' ' HA ' ' A' ' 503' ' ' SER . 9.6 pt-20 -58.62 -49.0 79.11 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.415 0.524 . . . . 2.82 112.415 -168.083 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 511' ' ' ALA . . . . . 0.479 ' HB2' ' O ' ' A' ' 510' ' ' GLU . . . 164.87 156.82 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 123.547 0.529 . . . . 0.69 111.376 -176.047 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 27.2 ttt -100.14 -62.96 1.17 Allowed 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.016 -1.105 . . . . 2.04 108.016 167.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 27.4 p -118.66 172.22 7.65 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.606 -0.725 . . . . 0.99 110.624 170.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 514' ' ' GLU . . . . . 0.417 ' HB2' ' HB3' ' A' ' 519' ' ' HIS . 41.7 mt-10 -102.71 157.79 16.7 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 108.774 -0.824 . . . . 0.98 108.774 170.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 515' ' ' CYS . . . . . 0.483 ' HB2' HG23 ' A' ' 521' ' ' VAL . 45.7 t -38.75 109.24 0.1 Allowed 'General case' 0 N--CA 1.47 0.528 0 O-C-N 124.05 0.844 . . . . 0.38 111.552 -178.782 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 15.6 p -73.84 34.56 0.09 Allowed 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 113.084 0.772 . . . . 0.67 113.084 -170.372 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 517' ' ' GLY . . . . . 0.404 ' H ' ' C ' ' A' ' 515' ' ' CYS . . . -132.8 -4.31 3.43 Favored Glycine 0 N--CA 1.443 -0.878 0 N-CA-C 111.099 -0.8 . . . . 0.4 111.099 171.019 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 21.1 p -164.39 -38.19 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.396 0 CA-C-O 121.566 0.698 . . . . 0.34 110.778 -176.31 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 519' ' ' HIS . . . . . 0.417 ' HB3' ' HB2' ' A' ' 514' ' ' GLU . 7.1 m170 67.26 38.84 3.2 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 114.348 -1.296 . . . . 0.31 109.899 -175.614 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 21.8 mtpp -97.6 -7.66 30.65 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-N 115.897 -0.592 . . . . 2.27 112.023 176.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 521' ' ' VAL . . . . . 0.483 HG23 ' HB2' ' A' ' 515' ' ' CYS . 19.2 m -140.74 162.13 23.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 107.216 -1.402 . . . . 0.41 107.216 178.615 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 -148.06 145.7 28.55 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-O 121.367 0.603 . . . . 1.19 111.35 -171.121 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 523' ' ' TYR . . . . . 0.701 ' HB3' ' HB2' ' A' ' 528' ' ' CYS . 96.1 m-85 -139.63 159.28 42.54 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 115.191 -0.913 . . . . 0.89 109.856 -179.248 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 524' ' ' CYS . . . . . 0.65 ' HB3' ' HB2' ' A' ' 504' ' ' CYS . 17.1 p -67.77 -43.89 78.77 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.265 0.555 . . . . 0.36 110.825 -174.783 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 9.3 t -125.25 179.48 5.06 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.521 -0.763 . . . . 1.18 110.425 179.112 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 30.5 m -70.32 -41.57 73.08 Favored 'General case' 0 C--O 1.235 0.322 0 N-CA-C 112.354 0.502 . . . . 0.46 112.354 -178.186 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 527' ' ' PHE . . . . . . . . . . . . . 46.6 p90 -58.23 -37.46 74.93 Favored 'General case' 0 N--CA 1.463 0.182 0 N-CA-C 111.689 0.255 . . . . 0.44 111.689 -173.187 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 528' ' ' CYS . . . . . 0.701 ' HB2' ' HB3' ' A' ' 523' ' ' TYR . 0.5 OUTLIER -57.86 -43.94 86.29 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.222 0.534 . . . . 0.55 111.071 -179.563 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 529' ' ' GLN . . . . . 0.723 ' O ' ' HB3' ' A' ' 533' ' ' TRP . 28.2 tp60 -67.1 -40.1 86.85 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.277 -0.874 . . . . 2.38 109.836 -174.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 7.2 ttm180 -71.23 -36.81 71.97 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.679 -0.691 . . . . 3.94 110.538 -179.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 531' ' ' LYS . . . . . 0.488 ' O ' ' HG2' ' A' ' 534' ' ' LYS . 9.2 mtpm? -69.58 -60.37 2.37 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.169 0.509 . . . . 3.15 111.701 -179.253 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 532' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -83.4 -15.54 49.36 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 113.385 0.883 . . . . 2.61 113.385 -164.13 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 533' ' ' TRP . . . . . 0.723 ' HB3' ' O ' ' A' ' 529' ' ' GLN . 0.0 OUTLIER -72.14 3.8 4.18 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 111.868 0.322 . . . . 0.62 111.868 -178.422 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 534' ' ' LYS . . . . . 0.488 ' HG2' ' O ' ' A' ' 531' ' ' LYS . 1.2 mmpp? -50.15 -32.06 15.12 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 120.739 0.304 . . . . 2.1 111.162 177.01 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 535' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -86.58 -32.32 20.72 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.531 0.681 . . . . 2.04 110.797 177.191 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 536' ' ' HIS . . . . . 0.432 ' O ' HG12 ' A' ' 539' ' ' ILE . 43.2 t60 -79.09 -33.22 44.68 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.139 -0.937 . . . . 0.51 112.829 -174.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 537' ' ' GLN . . . . . 0.522 ' HB3' ' CE2' ' A' ' 533' ' ' TRP . 19.7 pt20 -50.77 -24.59 3.57 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-O 121.097 0.475 . . . . 1.3 111.939 -177.556 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 538' ' ' HIS . . . . . . . . . . . . . 26.0 m-70 -75.23 -17.08 60.41 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.617 -0.719 . . . . 0.72 111.541 -177.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 539' ' ' ILE . . . . . 0.432 HG12 ' O ' ' A' ' 536' ' ' HIS . 27.9 pt -120.27 -10.65 10.25 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 C-N-CA 120.64 -0.424 . . . . 1.42 110.99 -173.44 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 4.6 t -64.86 139.81 58.8 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-O 121.567 0.698 . . . . 0.62 110.256 -178.031 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . 110.24 -15.29 30.46 Favored Glycine 0 C--N 1.309 -0.934 0 CA-C-N 114.732 -1.122 . . . . 2.02 111.165 -178.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -110.44 119.47 39.3 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.209 -0.495 . . . . 6.33 109.791 178.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 8.7 t -82.8 72.32 9.88 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.185 0.517 . . . . 6.92 110.074 -178.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 544' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.856 0 CA-C-O 118.806 -0.616 . . . . 8.83 109.748 177.878 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 503' ' ' SER . . . . . 0.463 ' HA ' ' HA ' ' A' ' 510' ' ' GLU . 20.6 m . . . . . 0 N--CA 1.444 -0.756 0 N-CA-C 106.385 -1.709 . . . . 1.32 106.385 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 504' ' ' CYS . . . . . 0.747 ' HB2' ' HB3' ' A' ' 524' ' ' CYS . 40.3 t -49.54 120.23 4.01 Favored 'General case' 0 N--CA 1.446 -0.627 0 C-N-CA 119.469 -0.892 . . . . 0.47 108.831 168.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 505' ' ' VAL . . . . . 0.435 ' O ' HG12 ' A' ' 505' ' ' VAL . 16.1 t -75.95 19.46 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 121.966 0.889 . . . . 0.63 109.865 179.778 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 506' ' ' ASN . . . . . 0.615 ' HB3' ' HB3' ' A' ' 528' ' ' CYS . 6.9 t30 -138.28 -43.33 0.51 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.693 -0.685 . . . . 1.4 112.249 -176.687 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -148.1 -89.06 0.08 Allowed 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 114.353 1.242 . . . . 0.81 114.353 -176.631 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 508' ' ' GLY . . . . . . . . . . . . . . . -83.18 -130.3 1.59 Allowed Glycine 0 C--N 1.333 0.416 0 N-CA-C 115.676 1.03 . . . . 1.2 115.676 -160.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 509' ' ' ARG . . . . . 0.433 ' HB3' ' H ' ' A' ' 510' ' ' GLU . 30.9 mtt-85 -75.43 -162.89 0.21 Allowed 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 113.115 0.783 . . . . 4.8 113.115 -170.351 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 510' ' ' GLU . . . . . 0.463 ' HA ' ' HA ' ' A' ' 503' ' ' SER . 0.2 OUTLIER -57.11 -50.81 71.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.133 -0.94 . . . . 2.82 112.511 -163.376 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 511' ' ' ALA . . . . . 0.44 ' HB2' ' O ' ' A' ' 510' ' ' GLU . . . 170.77 153.56 0.06 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.032 0.444 . . . . 0.69 111.42 -175.787 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 17.7 tpt -110.99 -72.2 0.73 Allowed 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 107.831 -1.174 . . . . 2.04 107.831 169.026 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 21.7 p -118.3 171.98 7.76 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-O 121.53 0.681 . . . . 0.99 110.375 169.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 514' ' ' GLU . . . . . 0.466 ' HB2' ' CG ' ' A' ' 519' ' ' HIS . 4.2 mt-10 -97.36 154.85 17.18 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 114.999 -1.0 . . . . 0.98 109.138 172.31 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 515' ' ' CYS . . . . . 0.501 ' HA ' ' OE1' ' A' ' 529' ' ' GLN . 10.8 t -40.41 111.41 0.2 Allowed 'General case' 0 N--CA 1.468 0.436 0 O-C-N 123.911 0.757 . . . . 0.38 111.46 177.689 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 44.9 p -71.5 22.46 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.856 0.688 . . . . 0.67 112.856 -173.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 517' ' ' GLY . . . . . 0.407 ' H ' ' C ' ' A' ' 515' ' ' CYS . . . -114.17 -13.92 9.56 Favored Glycine 0 N--CA 1.442 -0.933 0 N-CA-C 111.506 -0.638 . . . . 0.4 111.506 171.035 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 24.1 p -158.99 -39.41 0.06 Allowed 'General case' 0 CA--C 1.535 0.392 0 CA-C-O 121.412 0.625 . . . . 0.34 111.484 -175.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 519' ' ' HIS . . . . . 0.466 ' CG ' ' HB2' ' A' ' 514' ' ' GLU . 9.7 m170 72.45 23.81 3.07 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 125.066 1.346 . . . . 0.31 110.792 -175.592 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 56.3 mtpt -79.9 -8.07 59.1 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 116.223 -0.444 . . . . 2.27 111.568 178.209 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 521' ' ' VAL . . . . . . . . . . . . . 11.5 m -141.76 163.43 19.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 108.325 -0.991 . . . . 0.41 108.325 -177.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -137.06 143.73 42.8 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 121.339 0.59 . . . . 1.19 110.776 -173.296 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 523' ' ' TYR . . . . . 0.83 ' HB3' ' HB2' ' A' ' 528' ' ' CYS . 79.4 m-85 -139.41 160.47 39.77 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.185 -0.916 . . . . 0.89 109.86 -175.116 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 524' ' ' CYS . . . . . 0.747 ' HB3' ' HB2' ' A' ' 504' ' ' CYS . 13.0 p -76.47 -37.32 57.07 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.982 0.42 . . . . 0.36 110.885 -177.535 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 28.9 t -127.38 179.08 5.66 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.913 -0.585 . . . . 1.18 111.242 174.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 18.5 m -72.07 -36.44 69.54 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 122.512 0.325 . . . . 0.46 111.738 177.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 527' ' ' PHE . . . . . . . . . . . . . 20.0 p90 -63.05 -33.61 75.8 Favored 'General case' 0 CA--C 1.523 -0.086 0 C-N-CA 120.488 -0.485 . . . . 0.44 110.899 -176.24 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 528' ' ' CYS . . . . . 0.83 ' HB2' ' HB3' ' A' ' 523' ' ' TYR . 1.3 m -58.23 -42.08 85.54 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-O 121.34 0.591 . . . . 0.55 110.801 176.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 529' ' ' GLN . . . . . 0.532 ' HA ' ' CE2' ' A' ' 523' ' ' TYR . 22.0 tt0 -59.42 -49.98 75.72 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-N 114.331 -1.304 . . . . 2.38 109.409 -174.46 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 18.8 mtt180 -78.95 -27.73 43.63 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 114.187 -1.37 . . . . 3.94 112.635 -174.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 531' ' ' LYS . . . . . 0.778 ' O ' ' HE2' ' A' ' 534' ' ' LYS . 61.0 mttp -72.08 -59.25 2.84 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.817 0.341 . . . . 3.15 111.002 178.001 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 532' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -57.6 -28.32 63.52 Favored 'General case' 0 CA--C 1.511 -0.531 0 CA-C-O 121.778 0.799 . . . . 2.61 111.319 -177.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 533' ' ' TRP . . . . . 1.07 ' HA ' ' HB3' ' A' ' 536' ' ' HIS . 0.0 OUTLIER -64.36 -10.0 21.67 Favored 'General case' 0 N--CA 1.438 -1.058 0 CA-C-N 114.564 -1.198 . . . . 0.62 112.527 -170.101 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 534' ' ' LYS . . . . . 0.778 ' HE2' ' O ' ' A' ' 531' ' ' LYS . 28.5 mtmt -64.23 -15.8 60.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 121.017 -1.052 . . . . 2.1 110.005 176.134 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 535' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -101.78 -43.4 5.85 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.199 -0.91 . . . . 2.04 109.443 168.21 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 536' ' ' HIS . . . . . 1.07 ' HB3' ' HA ' ' A' ' 533' ' ' TRP . 66.6 t60 -62.95 -28.4 70.05 Favored 'General case' 0 CA--C 1.549 0.908 0 CA-C-N 114.683 -1.144 . . . . 0.51 113.658 -177.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 537' ' ' GLN . . . . . 0.418 ' HB3' ' CE2' ' A' ' 533' ' ' TRP . 3.1 pt20 -49.46 -31.9 10.87 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 118.201 0.455 . . . . 1.3 111.624 -178.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 538' ' ' HIS . . . . . . . . . . . . . 41.7 m-70 -72.14 -15.65 61.98 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.717 -0.674 . . . . 0.72 111.33 -177.281 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 539' ' ' ILE . . . . . . . . . . . . . 29.3 pt -120.13 0.25 7.65 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.357 0 CA-C-O 120.964 0.412 . . . . 1.42 110.004 -175.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 2.0 t -84.23 149.18 26.29 Favored 'General case' 0 N--CA 1.445 -0.694 0 N-CA-C 109.232 -0.655 . . . . 0.62 109.232 175.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . 84.94 -46.66 3.72 Favored Glycine 0 C--N 1.31 -0.9 0 CA-C-N 115.136 -0.938 . . . . 2.02 111.856 177.283 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -74.88 91.91 2.5 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.421 -0.585 . . . . 6.33 109.421 177.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 15.1 m -146.89 170.38 17.18 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.647 -0.706 . . . . 6.92 109.933 -177.023 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 544' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.998 0 CA-C-O 118.73 -0.653 . . . . 8.83 110.283 177.54 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 48.9 m . . . . . 0 N--CA 1.444 -0.729 0 N-CA-C 108.242 -1.021 . . . . 1.32 108.242 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 504' ' ' CYS . . . . . 0.883 ' HB2' ' HB3' ' A' ' 524' ' ' CYS . 41.3 t -65.76 106.44 1.51 Allowed 'General case' 0 N--CA 1.441 -0.882 0 N-CA-C 107.794 -1.188 . . . . 0.47 107.794 169.593 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 505' ' ' VAL . . . . . 0.52 ' HB ' ' CE2' ' A' ' 523' ' ' TYR . 26.0 t -69.85 7.74 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 121.95 0.881 . . . . 0.63 110.345 -178.602 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 506' ' ' ASN . . . . . 0.631 ' HB3' ' HB3' ' A' ' 528' ' ' CYS . 25.3 t-20 -120.87 -45.16 2.39 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.787 -0.642 . . . . 1.4 111.977 -179.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 507' ' ' CYS . . . . . 0.452 ' N ' ' SG ' ' A' ' 504' ' ' CYS . 0.5 OUTLIER -149.44 -48.44 0.14 Allowed 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 114.971 1.471 . . . . 0.81 114.971 -169.458 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 508' ' ' GLY . . . . . 0.534 ' H ' ' CB ' ' A' ' 504' ' ' CYS . . . -130.72 -122.4 2.4 Favored Glycine 0 CA--C 1.523 0.558 0 C-N-CA 119.582 -1.294 . . . . 1.2 115.727 -163.49 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 509' ' ' ARG . . . . . . . . . . . . . 28.3 mmt180 -87.08 -175.42 5.33 Favored 'General case' 0 C--O 1.22 -0.476 0 N-CA-C 112.951 0.723 . . . . 4.8 112.951 -167.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 510' ' ' GLU . . . . . 0.407 ' H ' ' HG2' ' A' ' 510' ' ' GLU . 9.3 pt-20 -75.43 17.44 0.27 Allowed 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 115.263 1.579 . . . . 2.82 115.263 -161.278 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 511' ' ' ALA . . . . . 0.74 ' HA ' ' HA ' ' A' ' 524' ' ' CYS . . . 71.19 135.06 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 121.786 0.803 . . . . 0.69 112.948 174.326 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 62.1 mtt -85.18 -45.93 11.56 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-N 115.211 -0.904 . . . . 2.04 109.338 179.206 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 20.9 p -118.04 171.83 7.82 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.481 -0.781 . . . . 0.99 110.678 172.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 514' ' ' GLU . . . . . 0.488 ' OE1' ' HB3' ' A' ' 519' ' ' HIS . 82.9 mt-10 -106.47 149.93 26.58 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-N 115.014 -0.993 . . . . 0.98 108.325 174.296 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 6.1 t -39.05 114.18 0.37 Allowed 'General case' 0 C--O 1.219 -0.545 0 O-C-N 124.096 0.873 . . . . 0.38 111.628 -174.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 45.6 p -63.63 -3.65 2.4 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 112.988 0.736 . . . . 0.67 112.988 -169.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 517' ' ' GLY . . . . . 0.452 ' HA2' ' HB2' ' A' ' 542' ' ' GLN . . . -93.52 -9.2 60.38 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.572 -0.823 . . . . 0.4 112.41 178.268 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 24.5 p -164.62 -38.55 0.03 OUTLIER 'General case' 0 CA--C 1.538 0.494 0 CA-C-O 121.278 0.561 . . . . 0.34 112.027 -175.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 519' ' ' HIS . . . . . 0.488 ' HB3' ' OE1' ' A' ' 514' ' ' GLU . 6.6 m170 67.04 29.28 8.07 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 124.99 1.316 . . . . 0.31 110.039 -172.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -91.71 -9.51 43.54 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 115.927 -0.579 . . . . 2.27 111.125 178.447 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 521' ' ' VAL . . . . . . . . . . . . . 28.4 m -141.34 170.0 13.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 108.082 -1.081 . . . . 0.41 108.082 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 522' ' ' ASN . . . . . 0.503 ' HB2' ' CB ' ' A' ' 511' ' ' ALA . 27.1 p-10 -148.56 139.55 23.08 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.455 0.645 . . . . 1.19 111.866 -176.251 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 523' ' ' TYR . . . . . 0.742 ' HB3' ' HB2' ' A' ' 528' ' ' CYS . 70.9 m-85 -139.63 142.99 37.01 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.165 -0.925 . . . . 0.89 108.612 176.618 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 524' ' ' CYS . . . . . 0.883 ' HB3' ' HB2' ' A' ' 504' ' ' CYS . 6.2 p -59.44 -41.32 89.34 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 111.96 0.355 . . . . 0.36 111.96 -165.553 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 18.5 t -124.44 175.6 7.02 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.911 -0.586 . . . . 1.18 110.826 -179.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 526' ' ' THR . . . . . 0.664 ' HA ' HE21 ' A' ' 529' ' ' GLN . 11.0 m -66.16 -42.0 89.59 Favored 'General case' 0 C--O 1.236 0.358 0 O-C-N 122.224 -0.298 . . . . 0.46 111.797 -177.159 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 527' ' ' PHE . . . . . . . . . . . . . 54.3 p90 -62.71 -37.97 88.6 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.864 -0.334 . . . . 0.44 110.843 -175.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 528' ' ' CYS . . . . . 0.742 ' HB2' ' HB3' ' A' ' 523' ' ' TYR . 3.9 m -56.54 -40.86 75.82 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-O 121.192 0.52 . . . . 0.55 110.931 178.358 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 529' ' ' GLN . . . . . 0.664 HE21 ' HA ' ' A' ' 526' ' ' THR . 47.8 mt-30 -68.0 -49.68 60.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.608 -0.723 . . . . 2.38 109.955 -177.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 65.1 mtp180 -74.08 -26.8 60.57 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.973 -1.012 . . . . 3.94 111.547 -172.185 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 531' ' ' LYS . . . . . 0.491 ' O ' ' HG2' ' A' ' 534' ' ' LYS . 31.9 mmtp -76.35 -51.81 11.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.788 0.328 . . . . 3.15 111.062 178.18 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 532' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.6 -33.33 58.42 Favored 'General case' 0 CA--C 1.509 -0.612 0 N-CA-C 112.662 0.616 . . . . 2.61 112.662 -170.002 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 533' ' ' TRP . . . . . 0.821 ' HH2' ' HA ' ' A' ' 543' ' ' SER . 0.0 OUTLIER -65.8 6.25 0.37 Allowed 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.856 0.687 . . . . 0.62 112.856 -168.427 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 534' ' ' LYS . . . . . 0.491 ' HG2' ' O ' ' A' ' 531' ' ' LYS . 62.0 mmtt -53.53 -21.31 6.18 Favored 'General case' 0 C--N 1.322 -0.606 0 O-C-N 121.866 -0.521 . . . . 2.1 111.445 176.212 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 535' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -99.79 -24.9 14.54 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.519 0.676 . . . . 2.04 110.539 172.819 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 536' ' ' HIS . . . . . 0.618 ' HB3' ' HB2' ' A' ' 533' ' ' TRP . 57.8 t60 -78.72 -29.12 45.16 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.241 -0.891 . . . . 0.51 111.738 -178.334 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 537' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -54.87 -23.47 18.72 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.067 0.461 . . . . 1.3 110.969 177.361 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 538' ' ' HIS . . . . . . . . . . . . . 51.5 m-70 -77.03 -20.96 55.28 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.557 -0.747 . . . . 0.72 111.297 -178.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 539' ' ' ILE . . . . . . . . . . . . . 11.8 tt -119.47 -18.85 5.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.128 0.49 . . . . 1.42 110.108 -171.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 2.9 t -69.14 149.94 48.09 Favored 'General case' 0 N--CA 1.442 -0.836 0 CA-C-O 121.493 0.664 . . . . 0.62 109.502 175.305 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -87.1 -42.29 6.33 Favored Glycine 0 C--N 1.314 -0.652 0 CA-C-N 114.652 -1.158 . . . . 2.02 112.208 179.377 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 542' ' ' GLN . . . . . 0.452 ' HB2' ' HA2' ' A' ' 517' ' ' GLY . 28.8 mm-40 -96.71 69.25 2.48 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.825 0.345 . . . . 6.33 110.949 -178.541 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 543' ' ' SER . . . . . 0.821 ' HA ' ' HH2' ' A' ' 533' ' ' TRP . 15.3 m -76.76 77.88 3.38 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.109 -0.496 . . . . 6.92 110.352 177.216 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 544' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.64 -0.695 . . . . 8.83 110.327 -179.442 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 47.6 p . . . . . 0 N--CA 1.44 -0.928 0 N-CA-C 108.873 -0.788 . . . . 1.32 108.873 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 504' ' ' CYS . . . . . 0.591 ' HB2' ' HB3' ' A' ' 524' ' ' CYS . 46.4 t -46.51 131.94 10.84 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 109.476 -0.565 . . . . 0.47 109.476 171.087 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 505' ' ' VAL . . . . . 0.425 ' O ' HG12 ' A' ' 505' ' ' VAL . 13.0 t -75.25 21.44 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 122.034 0.921 . . . . 0.63 109.62 178.395 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 506' ' ' ASN . . . . . 0.75 HD22 ' HB3' ' A' ' 528' ' ' CYS . 47.7 t30 -145.86 -32.26 0.36 Allowed 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 115.389 -0.823 . . . . 1.4 111.776 -178.278 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 507' ' ' CYS . . . . . 0.474 ' HB2' ' H ' ' A' ' 508' ' ' GLY . 0.0 OUTLIER -140.84 -93.36 0.15 Allowed 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 112.293 0.479 . . . . 0.81 112.293 -176.266 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 508' ' ' GLY . . . . . 0.715 ' O ' ' HB3' ' A' ' 524' ' ' CYS . . . -148.42 -166.83 13.15 Favored Glycine 0 C--O 1.214 -1.142 0 CA-C-O 119.352 -0.693 . . . . 1.2 112.118 -173.524 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 509' ' ' ARG . . . . . 0.437 ' C ' ' H ' ' A' ' 511' ' ' ALA . 1.2 tpm_? 65.76 138.92 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 117.333 0.567 . . . . 4.8 111.064 175.644 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 510' ' ' GLU . . . . . 0.474 ' CD ' ' H ' ' A' ' 510' ' ' GLU . 0.5 OUTLIER -75.95 19.7 0.21 Allowed 'General case' 0 C--N 1.327 -0.402 0 O-C-N 121.349 -0.844 . . . . 2.82 111.395 -179.021 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 511' ' ' ALA . . . . . 0.437 ' H ' ' C ' ' A' ' 509' ' ' ARG . . . 76.51 148.03 0.1 Allowed 'General case' 0 C--O 1.233 0.23 0 C-N-CA 123.902 0.881 . . . . 0.69 112.042 174.802 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 63.9 mtt -100.39 -57.68 2.06 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.47 -0.786 . . . . 2.04 109.016 178.117 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 22.8 m -116.8 172.22 7.38 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.759 -0.655 . . . . 0.99 110.341 171.175 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 514' ' ' GLU . . . . . 0.527 ' HB2' ' CG ' ' A' ' 519' ' ' HIS . 1.2 mt-10 -106.4 162.09 14.0 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.065 -0.97 . . . . 0.98 109.534 177.503 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 515' ' ' CYS . . . . . 0.473 ' HB2' HG23 ' A' ' 521' ' ' VAL . 46.6 t -43.5 107.08 0.08 Allowed 'General case' 0 N--CA 1.468 0.436 0 O-C-N 123.842 0.714 . . . . 0.38 109.676 175.112 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 516' ' ' THR . . . . . 0.584 ' HA ' ' NE2' ' A' ' 519' ' ' HIS . 0.2 OUTLIER -65.66 -2.39 3.53 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 113.52 0.933 . . . . 0.67 113.52 -164.16 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -94.68 -13.01 54.98 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.367 -0.921 . . . . 0.4 112.597 177.196 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 518' ' ' CYS . . . . . 0.406 ' SG ' ' N ' ' A' ' 519' ' ' HIS . 30.8 p -153.46 -42.74 0.09 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.633 0.73 . . . . 0.34 111.529 -174.384 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 519' ' ' HIS . . . . . 0.584 ' NE2' ' HA ' ' A' ' 516' ' ' THR . 6.6 m170 69.38 25.44 5.52 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 114.463 -1.244 . . . . 0.31 109.826 -177.55 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 520' ' ' LYS . . . . . 0.421 ' NZ ' ' HB3' ' A' ' 520' ' ' LYS . 9.4 mtpm? -87.28 -3.27 59.03 Favored 'General case' 0 N--CA 1.461 0.116 0 CA-C-N 115.412 -0.813 . . . . 2.27 110.878 176.511 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 521' ' ' VAL . . . . . 0.473 HG23 ' HB2' ' A' ' 515' ' ' CYS . 13.1 m -146.73 166.05 7.22 Favored 'Isoleucine or valine' 0 C--O 1.237 0.44 0 N-CA-C 107.437 -1.32 . . . . 0.41 107.437 179.627 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -151.49 150.97 31.0 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.362 0.601 . . . . 1.19 111.578 -173.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 523' ' ' TYR . . . . . 0.494 ' HB3' ' HB2' ' A' ' 528' ' ' CYS . 71.3 m-85 -139.91 153.67 47.03 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.985 -1.007 . . . . 0.89 110.067 -177.095 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 524' ' ' CYS . . . . . 0.715 ' HB3' ' O ' ' A' ' 508' ' ' GLY . 21.3 p -57.73 -51.4 69.71 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 121.243 0.544 . . . . 0.36 110.579 -177.033 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 525' ' ' SER . . . . . 0.586 ' HB3' ' CE1' ' A' ' 527' ' ' PHE . 20.9 t -127.19 -175.05 3.32 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.396 -0.82 . . . . 1.18 110.591 179.504 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 9.0 m -69.74 -38.54 76.86 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.847 0.684 . . . . 0.46 112.847 -177.427 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 527' ' ' PHE . . . . . 0.586 ' CE1' ' HB3' ' A' ' 525' ' ' SER . 47.5 p90 -58.14 -42.79 86.64 Favored 'General case' 0 N--CA 1.466 0.325 0 N-CA-C 112.031 0.382 . . . . 0.44 112.031 -170.299 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 528' ' ' CYS . . . . . 0.75 ' HB3' HD22 ' A' ' 506' ' ' ASN . 0.0 OUTLIER -61.57 -35.94 79.22 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.321 0.581 . . . . 0.55 111.22 -179.721 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 529' ' ' GLN . . . . . 0.743 ' O ' ' HB3' ' A' ' 533' ' ' TRP . 31.2 tt0 -67.05 -45.53 77.11 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 115.075 -0.966 . . . . 2.38 109.066 -176.095 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 530' ' ' ARG . . . . . 0.561 ' O ' ' HE2' ' A' ' 534' ' ' LYS . 89.5 mtt180 -75.3 -41.6 56.59 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.588 -0.733 . . . . 3.94 112.212 -179.318 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 531' ' ' LYS . . . . . 0.444 ' O ' ' HG2' ' A' ' 534' ' ' LYS . 65.4 mttm -70.97 -43.49 67.97 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.409 0.522 . . . . 3.15 112.409 -174.384 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 532' ' ' ASP . . . . . 0.464 ' HB2' ' O ' ' A' ' 528' ' ' CYS . 0.3 OUTLIER -87.06 -22.96 25.11 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 112.869 0.692 . . . . 2.61 112.869 -172.378 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 533' ' ' TRP . . . . . 0.743 ' HB3' ' O ' ' A' ' 529' ' ' GLN . 0.0 OUTLIER -72.89 4.77 3.8 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 112.42 0.526 . . . . 0.62 112.42 -173.576 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 534' ' ' LYS . . . . . 0.561 ' HE2' ' O ' ' A' ' 530' ' ' ARG . 70.3 mmtt -54.65 -24.55 22.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 122.164 -0.335 . . . . 2.1 111.208 179.627 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 535' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -95.89 -31.08 13.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.468 0.651 . . . . 2.04 110.518 174.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 536' ' ' HIS . . . . . . . . . . . . . 26.9 t60 -77.46 -29.19 52.64 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 115.6 -0.727 . . . . 0.51 112.057 -176.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 537' ' ' GLN . . . . . 0.453 ' HB3' ' CE2' ' A' ' 533' ' ' TRP . 3.7 pt20 -50.28 -24.73 3.1 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 123.016 0.526 . . . . 1.3 111.592 179.035 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 538' ' ' HIS . . . . . . . . . . . . . 30.6 m-70 -78.11 -18.68 55.37 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.474 -0.784 . . . . 0.72 110.943 -177.307 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 539' ' ' ILE . . . . . . . . . . . . . 31.8 pt -119.99 -5.64 10.43 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.313 0 CA-C-O 120.816 0.341 . . . . 1.42 110.777 -172.204 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 5.1 t -71.74 142.45 49.76 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-O 121.546 0.688 . . . . 0.62 110.218 -178.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -91.6 40.28 2.95 Favored Glycine 0 C--N 1.309 -0.961 0 CA-C-N 114.895 -1.048 . . . . 2.02 111.78 175.117 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -79.09 69.4 5.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.512 0.672 . . . . 6.33 111.052 -177.223 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 1.8 p -100.83 -8.16 22.89 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.585 -0.734 . . . . 6.92 109.87 174.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 544' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.894 0 CA-C-N 115.456 -0.793 . . . . 8.83 109.956 178.545 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 503' ' ' SER . . . . . 0.636 ' HB2' ' O ' ' A' ' 508' ' ' GLY . 5.0 p . . . . . 0 N--CA 1.437 -1.082 0 N-CA-C 108.525 -0.917 . . . . 1.32 108.525 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 504' ' ' CYS . . . . . 0.745 ' HB2' ' HB3' ' A' ' 524' ' ' CYS . 38.9 t -61.8 122.1 14.54 Favored 'General case' 0 N--CA 1.44 -0.973 0 N-CA-C 108.286 -1.005 . . . . 0.47 108.286 171.697 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 505' ' ' VAL . . . . . 0.424 ' O ' HG12 ' A' ' 505' ' ' VAL . 14.2 t -74.27 20.58 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-O 121.86 0.838 . . . . 0.63 109.258 176.666 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 506' ' ' ASN . . . . . 0.541 ' H ' ' C ' ' A' ' 504' ' ' CYS . 22.6 t-20 -143.01 -38.78 0.34 Allowed 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 115.717 -0.674 . . . . 1.4 112.323 -173.66 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -136.03 -79.44 0.42 Allowed 'General case' 0 N--CA 1.464 0.245 0 C-N-CA 119.897 -0.721 . . . . 0.81 112.62 -175.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 508' ' ' GLY . . . . . 0.636 ' O ' ' HB2' ' A' ' 503' ' ' SER . . . -143.48 -94.49 0.19 Allowed Glycine 0 C--O 1.222 -0.605 0 C-N-CA 120.151 -1.023 . . . . 1.2 114.885 -165.281 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 509' ' ' ARG . . . . . 0.629 ' HB2' ' HB2' ' A' ' 524' ' ' CYS . 55.2 mtp180 -51.03 160.11 0.52 Allowed 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 123.92 0.888 . . . . 4.8 113.276 -168.017 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 510' ' ' GLU . . . . . 0.636 ' HA ' ' HA ' ' A' ' 503' ' ' SER . 29.7 mt-10 -73.75 18.26 0.14 Allowed 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.081 -0.963 . . . . 2.82 112.576 -173.085 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 511' ' ' ALA . . . . . 0.588 ' HA ' ' HA ' ' A' ' 524' ' ' CYS . . . 73.36 155.01 0.16 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.42 -0.809 . . . . 0.69 111.647 177.262 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 84.7 mtp -92.44 -63.41 1.23 Allowed 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.085 -1.08 . . . . 2.04 108.085 176.111 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 18.9 p -117.24 171.94 7.63 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 114.906 -1.043 . . . . 0.99 110.054 172.304 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 514' ' ' GLU . . . . . 0.593 ' HB3' ' HA ' ' A' ' 519' ' ' HIS . 49.6 mt-10 -88.89 160.99 16.92 Favored 'General case' 0 C--N 1.317 -0.816 0 N-CA-C 109.202 -0.666 . . . . 0.98 109.202 173.059 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 515' ' ' CYS . . . . . 0.651 ' HA ' ' OE1' ' A' ' 529' ' ' GLN . 44.6 t -40.32 107.83 0.08 Allowed 'General case' 0 C--O 1.221 -0.419 0 O-C-N 124.371 1.044 . . . . 0.38 110.765 179.173 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 39.3 p -58.89 -15.89 14.88 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 113.189 0.811 . . . . 0.67 113.189 -167.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -82.82 -10.91 82.43 Favored Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.481 -0.866 . . . . 0.4 113.226 179.441 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 518' ' ' CYS . . . . . 0.417 ' SG ' ' N ' ' A' ' 519' ' ' HIS . 28.4 p -160.87 -41.14 0.05 OUTLIER 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 117.46 0.63 . . . . 0.34 112.374 -173.599 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 519' ' ' HIS . . . . . 0.593 ' HA ' ' HB3' ' A' ' 514' ' ' GLU . 8.3 m170 71.43 31.35 2.33 Favored 'General case' 0 C--O 1.225 -0.234 0 C-N-CA 124.755 1.222 . . . . 0.31 110.202 -174.618 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -89.28 -9.23 51.36 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.492 -0.776 . . . . 2.27 110.977 175.454 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 521' ' ' VAL . . . . . 0.444 HG23 ' HB2' ' A' ' 515' ' ' CYS . 29.3 m -147.59 178.52 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 N-CA-C 108.152 -1.055 . . . . 0.41 108.152 -178.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 23.8 p-10 -155.72 148.61 24.29 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.251 0.548 . . . . 1.19 111.429 -177.494 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 523' ' ' TYR . . . . . 0.495 ' HB3' ' HB2' ' A' ' 528' ' ' CYS . 88.0 m-85 -138.48 145.48 40.88 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.155 -0.929 . . . . 0.89 109.79 -179.277 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 524' ' ' CYS . . . . . 0.745 ' HB3' ' HB2' ' A' ' 504' ' ' CYS . 22.1 p -50.65 -47.34 58.59 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 121.298 0.571 . . . . 0.36 111.143 -172.717 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 525' ' ' SER . . . . . 0.58 ' HB2' ' CE2' ' A' ' 527' ' ' PHE . 49.2 m -126.6 -178.84 4.51 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.132 -0.94 . . . . 1.18 111.094 175.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 32.1 m -68.06 -38.11 82.08 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.69 0.626 . . . . 0.46 112.69 -178.559 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 527' ' ' PHE . . . . . 0.58 ' CE2' ' HB2' ' A' ' 525' ' ' SER . 47.0 p90 -58.39 -39.77 80.55 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 112.345 0.498 . . . . 0.44 112.345 -170.718 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 528' ' ' CYS . . . . . 0.495 ' HB2' ' HB3' ' A' ' 523' ' ' TYR . 0.0 OUTLIER -63.95 -31.98 73.36 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.678 0.275 . . . . 0.55 111.301 -178.026 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 529' ' ' GLN . . . . . 0.735 ' O ' ' HB3' ' A' ' 533' ' ' TRP . 15.6 tt0 -67.79 -55.35 13.34 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.604 0.716 . . . . 2.38 109.506 -174.017 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 530' ' ' ARG . . . . . 0.632 ' O ' ' HE3' ' A' ' 534' ' ' LYS . 40.0 ptt180 -74.61 -26.23 59.77 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 114.792 -1.094 . . . . 3.94 111.628 -174.006 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 48.0 tptt -78.35 -41.68 32.76 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.297 0.57 . . . . 3.15 111.124 -178.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 532' ' ' ASP . . . . . 0.432 ' HB2' ' O ' ' A' ' 528' ' ' CYS . 0.7 OUTLIER -83.34 -30.76 27.21 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.602 -0.727 . . . . 2.61 112.42 -173.274 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 533' ' ' TRP . . . . . 0.735 ' HB3' ' O ' ' A' ' 529' ' ' GLN . 0.0 OUTLIER -67.16 4.96 0.78 Allowed 'General case' 0 C--O 1.214 -0.763 0 N-CA-C 113.884 1.068 . . . . 0.62 113.884 -165.273 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 534' ' ' LYS . . . . . 0.672 ' HD2' ' H ' ' A' ' 534' ' ' LYS . 0.0 OUTLIER -57.74 -20.42 34.6 Favored 'General case' 0 C--N 1.322 -0.59 0 O-C-N 121.162 -0.961 . . . . 2.1 111.444 176.22 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 535' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -97.03 -23.57 16.2 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 121.775 0.798 . . . . 2.04 110.37 173.256 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 536' ' ' HIS . . . . . 0.473 ' HB3' ' HA ' ' A' ' 533' ' ' TRP . 27.0 t60 -86.43 -31.5 21.37 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 115.014 -0.993 . . . . 0.51 112.964 -177.76 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 537' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -45.57 -24.54 0.35 Allowed 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.844 0.858 . . . . 1.3 112.057 179.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 538' ' ' HIS . . . . . . . . . . . . . 18.3 m-70 -78.46 -21.8 48.52 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.678 -0.692 . . . . 0.72 110.969 -178.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 539' ' ' ILE . . . . . . . . . . . . . 33.2 pt -120.59 10.3 6.31 Favored 'Isoleucine or valine' 0 C--O 1.236 0.362 0 CA-C-O 120.949 0.405 . . . . 1.42 111.062 -173.316 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 4.3 t -83.23 119.65 24.83 Favored 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 109.395 -0.594 . . . . 0.62 109.395 179.162 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . 81.42 -47.33 3.6 Favored Glycine 0 C--N 1.32 -0.312 0 CA-C-N 115.351 -0.84 . . . . 2.02 111.278 -178.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -85.55 149.32 25.45 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 108.941 -0.763 . . . . 6.33 108.941 178.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 66.6 m -117.15 -41.18 3.02 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-O 120.584 0.231 . . . . 6.92 110.823 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 544' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.254 0 CA-C-O 118.662 -0.685 . . . . 8.83 110.117 178.634 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 503' ' ' SER . . . . . 0.517 ' HB2' ' O ' ' A' ' 508' ' ' GLY . 1.0 OUTLIER . . . . . 0 N--CA 1.442 -0.829 0 N-CA-C 108.833 -0.803 . . . . 1.32 108.833 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 504' ' ' CYS . . . . . 0.843 ' HB2' ' HB3' ' A' ' 524' ' ' CYS . 45.8 t -87.69 146.9 25.48 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 108.355 -0.979 . . . . 0.47 108.355 166.27 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 505' ' ' VAL . . . . . 0.468 ' O ' HG12 ' A' ' 505' ' ' VAL . 43.1 t -85.78 9.84 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-O 121.603 0.716 . . . . 0.63 109.557 178.342 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 506' ' ' ASN . . . . . 0.421 HD22 ' CB ' ' A' ' 528' ' ' CYS . 53.2 t30 -142.45 -31.45 0.52 Allowed 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 112.81 0.67 . . . . 1.4 112.81 176.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -139.26 -99.77 0.16 Allowed 'General case' 0 N--CA 1.47 0.569 0 O-C-N 121.051 -1.031 . . . . 0.81 113.751 -175.307 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 508' ' ' GLY . . . . . 0.517 ' O ' ' HB2' ' A' ' 503' ' ' SER . . . -115.57 -99.77 2.23 Favored Glycine 0 C--O 1.218 -0.89 0 C-N-CA 120.751 -0.737 . . . . 1.2 114.914 -163.307 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 509' ' ' ARG . . . . . 0.956 ' HB2' ' HB2' ' A' ' 524' ' ' CYS . 0.0 OUTLIER -36.38 151.65 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.964 1.306 . . . . 4.8 113.641 -173.897 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 510' ' ' GLU . . . . . 0.413 ' HA ' ' CA ' ' A' ' 503' ' ' SER . 10.7 pt-20 -68.71 21.37 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 114.759 -1.11 . . . . 2.82 112.935 -175.776 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 511' ' ' ALA . . . . . 0.475 ' H ' ' C ' ' A' ' 509' ' ' ARG . . . 70.41 120.65 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.215 0 O-C-N 123.904 0.753 . . . . 0.69 111.058 -175.073 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 91.3 mtp -86.28 -60.73 1.92 Allowed 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.801 -0.815 . . . . 2.04 108.801 -178.495 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 5.3 p -117.63 155.14 30.39 Favored 'General case' 0 N--CA 1.443 -0.821 0 CA-C-N 115.527 -0.761 . . . . 0.99 110.757 172.414 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 514' ' ' GLU . . . . . 0.545 ' HB2' ' HB3' ' A' ' 519' ' ' HIS . 34.5 mt-10 -90.9 152.72 20.62 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 115.22 -0.9 . . . . 0.98 109.622 176.212 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 41.7 t -38.84 106.77 0.06 Allowed 'General case' 0 N--CA 1.469 0.52 0 O-C-N 124.347 1.029 . . . . 0.38 112.009 -176.287 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 19.1 p -47.51 -31.12 3.99 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 114.522 1.304 . . . . 0.67 114.522 -168.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -77.66 -6.64 87.03 Favored Glycine 0 CA--C 1.521 0.462 0 C-N-CA 120.504 -0.855 . . . . 0.4 113.418 -177.035 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 518' ' ' CYS . . . . . 0.49 ' SG ' ' N ' ' A' ' 519' ' ' HIS . 30.7 p -158.44 -48.32 0.06 Allowed 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 117.485 0.643 . . . . 0.34 111.668 -175.23 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 519' ' ' HIS . . . . . 0.545 ' HB3' ' HB2' ' A' ' 514' ' ' GLU . 5.6 m170 72.1 33.82 1.53 Allowed 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 125.131 1.372 . . . . 0.31 109.607 -173.287 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 520' ' ' LYS . . . . . 0.527 ' HE2' ' HB2' ' A' ' 543' ' ' SER . 57.6 mttp -98.74 -0.76 42.08 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.494 -0.775 . . . . 2.27 111.712 176.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 521' ' ' VAL . . . . . . . . . . . . . 26.8 m -139.08 165.37 23.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 107.35 -1.352 . . . . 0.41 107.35 173.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 522' ' ' ASN . . . . . 0.523 ' HB3' ' HG2' ' A' ' 514' ' ' GLU . 9.5 p30 -151.34 119.81 6.45 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.873 0.844 . . . . 1.19 112.134 -175.059 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 523' ' ' TYR . . . . . 0.597 ' HB2' ' HB2' ' A' ' 529' ' ' GLN . 10.3 m-85 -123.38 156.29 35.71 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 114.978 -1.01 . . . . 0.89 109.115 177.557 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 524' ' ' CYS . . . . . 0.956 ' HB2' ' HB2' ' A' ' 509' ' ' ARG . 22.8 p -51.6 -49.03 62.95 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 121.144 0.497 . . . . 0.36 111.26 -174.516 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 525' ' ' SER . . . . . 0.425 ' HB2' ' CE2' ' A' ' 527' ' ' PHE . 5.4 m -126.25 -178.01 4.17 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.348 -0.842 . . . . 1.18 111.227 -177.814 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 22.8 m -70.54 -39.77 73.83 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.523 -0.308 . . . . 0.46 111.646 179.287 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 527' ' ' PHE . . . . . 0.425 ' CE2' ' HB2' ' A' ' 525' ' ' SER . 26.8 p90 -58.09 -49.01 78.43 Favored 'General case' 0 N--CA 1.463 0.196 0 N-CA-C 112.739 0.644 . . . . 0.44 112.739 -170.522 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 528' ' ' CYS . . . . . 0.437 ' SG ' ' HB3' ' A' ' 523' ' ' TYR . 0.8 OUTLIER -70.39 -35.18 73.32 Favored 'General case' 0 N--CA 1.438 -1.059 0 CA-C-O 121.326 0.584 . . . . 0.55 111.203 -175.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 529' ' ' GLN . . . . . 0.68 ' O ' ' HB3' ' A' ' 533' ' ' TRP . 4.7 tt0 -67.73 -37.51 82.3 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.318 -0.856 . . . . 2.38 109.372 -177.715 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 530' ' ' ARG . . . . . 0.545 ' HA ' ' HD3' ' A' ' 530' ' ' ARG . 19.9 mmt-85 -78.62 -34.16 46.84 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.206 -0.906 . . . . 3.94 112.863 176.478 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 531' ' ' LYS . . . . . 0.458 ' O ' ' HG2' ' A' ' 534' ' ' LYS . 43.6 mmtm -71.7 -45.57 61.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 122.002 -0.436 . . . . 3.15 111.415 -178.519 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 532' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -82.06 -8.96 59.69 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.03 -0.532 . . . . 2.61 112.178 -175.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 533' ' ' TRP . . . . . 0.68 ' HB3' ' O ' ' A' ' 529' ' ' GLN . 0.0 OUTLIER -74.27 4.64 5.45 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.418 -0.356 . . . . 0.62 111.696 -176.435 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 534' ' ' LYS . . . . . 0.711 ' HE2' ' HA ' ' A' ' 534' ' ' LYS . 9.7 mmpt? -52.12 -29.4 21.68 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 120.837 0.351 . . . . 2.1 111.523 -179.172 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 535' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -93.65 -22.72 18.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.699 0.762 . . . . 2.04 110.388 175.279 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 536' ' ' HIS . . . . . 0.419 ' HB3' ' HA ' ' A' ' 533' ' ' TRP . 59.8 t60 -87.0 -25.92 24.03 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 115.483 -0.781 . . . . 0.51 112.193 -173.535 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 537' ' ' GLN . . . . . 0.615 ' HB3' ' CE2' ' A' ' 533' ' ' TRP . 3.9 pt20 -54.53 -23.24 15.67 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 121.548 0.69 . . . . 1.3 110.737 178.656 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 538' ' ' HIS . . . . . . . . . . . . . 26.9 m-70 -76.49 -16.48 59.64 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.794 -1.094 . . . . 0.72 111.505 -178.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 539' ' ' ILE . . . . . . . . . . . . . 15.4 tt -121.35 -10.53 9.34 Favored 'Isoleucine or valine' 0 C--O 1.233 0.197 0 CA-C-O 121.29 0.567 . . . . 1.42 110.852 -174.002 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 1.8 t -69.99 139.63 52.8 Favored 'General case' 0 N--CA 1.446 -0.655 0 C-N-CA 119.871 -0.732 . . . . 0.62 109.817 179.328 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . 93.2 -7.41 75.86 Favored Glycine 0 C--N 1.314 -0.639 0 CA-C-N 114.786 -1.097 . . . . 2.02 111.981 -179.194 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -100.62 154.05 18.9 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 110.379 -0.23 . . . . 6.33 110.379 -178.201 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 543' ' ' SER . . . . . 0.527 ' HB2' ' HE2' ' A' ' 520' ' ' LYS . 14.8 m 58.88 39.45 23.84 Favored 'General case' 0 C--N 1.329 -0.325 0 O-C-N 123.717 0.636 . . . . 6.92 110.95 179.053 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 544' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.837 0 CA-C-O 118.725 -0.655 . . . . 8.83 110.33 -179.923 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 503' ' ' SER . . . . . 0.729 ' HB3' ' HA ' ' A' ' 510' ' ' GLU . 33.6 m . . . . . 0 N--CA 1.449 -0.509 0 N-CA-C 108.795 -0.817 . . . . 1.32 108.795 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 504' ' ' CYS . . . . . 0.735 ' HB2' ' HB3' ' A' ' 524' ' ' CYS . 42.8 t -80.96 121.05 25.54 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 107.914 -1.143 . . . . 0.47 107.914 164.627 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 505' ' ' VAL . . . . . 0.764 ' HB ' ' CE1' ' A' ' 523' ' ' TYR . 43.8 t -68.13 -4.24 3.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 121.482 0.658 . . . . 0.63 109.803 177.564 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 506' ' ' ASN . . . . . 0.486 ' HB3' ' HB3' ' A' ' 528' ' ' CYS . 6.8 t30 -113.31 -44.19 3.27 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 115.95 -0.568 . . . . 1.4 111.886 -179.169 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -133.48 -82.36 0.47 Allowed 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 113.175 0.805 . . . . 0.81 113.175 -173.095 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 508' ' ' GLY . . . . . 0.479 ' N ' ' HB3' ' A' ' 504' ' ' CYS . . . -140.65 -102.03 0.48 Allowed Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.59 -0.814 . . . . 1.2 114.91 -165.25 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 509' ' ' ARG . . . . . 0.812 ' HB3' ' HB2' ' A' ' 524' ' ' CYS . 19.8 tpp180 -35.55 142.67 0.06 Allowed 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.754 1.222 . . . . 4.8 112.759 -172.759 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 510' ' ' GLU . . . . . 0.729 ' HA ' ' HB3' ' A' ' 503' ' ' SER . 1.6 pm0 -68.84 20.13 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 113.702 1.001 . . . . 2.82 113.702 -170.356 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 511' ' ' ALA . . . . . 0.561 ' CB ' ' HB2' ' A' ' 522' ' ' ASN . . . 73.85 137.64 0.06 Allowed 'General case' 0 CA--C 1.518 -0.279 0 C-N-CA 123.723 0.809 . . . . 0.69 111.72 177.804 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 64.6 mtt -89.26 -49.09 6.93 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.468 -0.938 . . . . 2.04 108.468 176.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 73.6 m -118.37 160.46 21.64 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.569 -0.741 . . . . 0.99 110.084 168.331 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 514' ' ' GLU . . . . . 0.463 ' HB3' ' HA ' ' A' ' 519' ' ' HIS . 40.1 mt-10 -88.09 160.31 17.86 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.486 -0.931 . . . . 0.98 108.486 170.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 38.4 t -40.69 112.53 0.3 Allowed 'General case' 0 N--CA 1.47 0.558 0 O-C-N 123.903 0.752 . . . . 0.38 111.155 -176.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 24.9 p -64.12 0.13 1.02 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 114.008 1.114 . . . . 0.67 114.008 -166.353 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -103.03 -12.27 32.18 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.16 -1.019 . . . . 0.4 112.714 177.25 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 518' ' ' CYS . . . . . 1.015 ' HB2' ' HD3' ' A' ' 520' ' ' LYS . 31.2 p -152.96 -39.65 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.148 0.499 . . . . 0.34 111.727 -174.447 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 519' ' ' HIS . . . . . 0.463 ' HA ' ' HB3' ' A' ' 514' ' ' GLU . 6.1 m170 62.03 36.49 15.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.237 -0.892 . . . . 0.31 109.408 -172.725 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 520' ' ' LYS . . . . . 1.015 ' HD3' ' HB2' ' A' ' 518' ' ' CYS . 4.9 mptp? -91.07 -12.66 34.99 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.683 -0.689 . . . . 2.27 110.534 174.076 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 521' ' ' VAL . . . . . . . . . . . . . 16.1 m -146.92 163.64 7.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 N-CA-C 106.948 -1.501 . . . . 0.41 106.948 -177.35 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 522' ' ' ASN . . . . . 0.561 ' HB2' ' CB ' ' A' ' 511' ' ' ALA . 22.0 p-10 -140.08 147.15 39.87 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.324 0.583 . . . . 1.19 111.498 -175.58 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 523' ' ' TYR . . . . . 0.841 ' HB3' ' HB2' ' A' ' 528' ' ' CYS . 97.0 m-85 -140.81 141.99 34.69 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 115.366 -0.834 . . . . 0.89 110.744 -176.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 524' ' ' CYS . . . . . 0.812 ' HB2' ' HB3' ' A' ' 509' ' ' ARG . 14.8 p -52.03 -45.55 64.69 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-O 121.102 0.477 . . . . 0.36 110.758 -173.47 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 525' ' ' SER . . . . . 0.417 ' HB2' ' CE2' ' A' ' 527' ' ' PHE . 6.2 m -124.96 -179.28 4.48 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.265 -0.88 . . . . 1.18 111.314 -177.222 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 91.1 m -72.38 -41.84 65.9 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.382 0.512 . . . . 0.46 112.382 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 527' ' ' PHE . . . . . 0.417 ' CE2' ' HB2' ' A' ' 525' ' ' SER . 48.8 p90 -58.21 -36.56 73.31 Favored 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 111.712 0.264 . . . . 0.44 111.712 -174.68 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 528' ' ' CYS . . . . . 0.841 ' HB2' ' HB3' ' A' ' 523' ' ' TYR . 0.0 OUTLIER -60.68 -41.35 94.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.962 0.411 . . . . 0.55 110.75 179.492 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 529' ' ' GLN . . . . . 0.478 ' O ' ' HB3' ' A' ' 533' ' ' TRP . 36.0 tt0 -63.59 -41.48 98.35 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.305 -0.861 . . . . 2.38 109.246 -177.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 19.2 mmm180 -74.32 -45.62 46.2 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.172 -0.922 . . . . 3.94 111.731 -176.281 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? -56.44 -51.49 68.21 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 121.101 0.476 . . . . 3.15 111.202 -178.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 532' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -64.61 -34.3 77.95 Favored 'General case' 0 CA--C 1.506 -0.747 0 CA-C-N 115.485 -0.78 . . . . 2.61 111.504 -179.289 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 533' ' ' TRP . . . . . 1.054 ' HA ' ' HB3' ' A' ' 536' ' ' HIS . 0.0 OUTLIER -68.56 -9.23 48.09 Favored 'General case' 0 N--CA 1.434 -1.25 0 CA-C-N 115.292 -0.867 . . . . 0.62 111.823 -166.42 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 28.4 mmtp -60.6 -26.28 66.86 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.572 0.701 . . . . 2.1 109.126 175.662 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 535' ' ' ASP . . . . . 0.401 ' O ' ' HD2' ' A' ' 538' ' ' HIS . 4.1 m-20 -99.81 -42.0 7.01 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 114.821 -1.081 . . . . 2.04 109.485 171.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 536' ' ' HIS . . . . . 1.054 ' HB3' ' HA ' ' A' ' 533' ' ' TRP . 50.0 t60 -62.7 -28.98 70.32 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 115.073 -0.967 . . . . 0.51 113.073 -177.585 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 537' ' ' GLN . . . . . 0.427 ' HB3' ' CE2' ' A' ' 533' ' ' TRP . 3.7 pt20 -48.19 -28.57 3.07 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.086 0.555 . . . . 1.3 111.995 178.762 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 538' ' ' HIS . . . . . 0.401 ' HD2' ' O ' ' A' ' 535' ' ' ASP . 70.4 m-70 -73.81 -16.59 61.15 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.123 -0.49 . . . . 0.72 111.237 -178.321 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 539' ' ' ILE . . . . . . . . . . . . . 31.1 pt -120.42 -5.58 10.11 Favored 'Isoleucine or valine' 0 C--O 1.232 0.159 0 C-N-CA 120.966 -0.293 . . . . 1.42 111.372 -176.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 2.0 t -73.97 120.5 19.64 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 109.081 -0.711 . . . . 0.62 109.081 177.263 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . 77.41 20.96 73.86 Favored Glycine 0 C--N 1.316 -0.552 0 C-N-CA 120.619 -0.8 . . . . 2.02 111.511 -178.069 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -52.64 108.33 0.3 Allowed 'General case' 0 C--O 1.233 0.208 0 C-N-CA 123.074 0.55 . . . . 6.33 110.767 179.345 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 5.9 p -147.63 146.6 29.41 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.864 -0.607 . . . . 6.92 110.997 -176.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 544' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.696 -0.668 . . . . 8.83 110.062 178.286 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 503' ' ' SER . . . . . 0.479 ' HB2' ' O ' ' A' ' 509' ' ' ARG . 22.8 p . . . . . 0 N--CA 1.44 -0.94 0 N-CA-C 109.842 -0.429 . . . . 1.32 109.842 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 504' ' ' CYS . . . . . 0.779 ' HB2' ' HB3' ' A' ' 524' ' ' CYS . 35.9 t -52.74 132.75 36.77 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 109.016 -0.735 . . . . 0.47 109.016 174.121 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 505' ' ' VAL . . . . . 0.437 ' O ' HG12 ' A' ' 505' ' ' VAL . 14.1 t -77.62 20.26 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-O 121.825 0.821 . . . . 0.63 109.374 178.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 506' ' ' ASN . . . . . 0.881 HD22 ' HB3' ' A' ' 528' ' ' CYS . 43.5 t30 -148.76 -37.73 0.17 Allowed 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 115.595 -0.729 . . . . 1.4 112.669 -176.213 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -134.95 -96.23 0.26 Allowed 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 113.772 1.027 . . . . 0.81 113.772 -175.474 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 508' ' ' GLY . . . . . . . . . . . . . . . -124.42 -86.71 0.71 Allowed Glycine 0 C--N 1.335 0.478 0 N-CA-C 115.488 0.955 . . . . 1.2 115.488 -162.329 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 509' ' ' ARG . . . . . 0.743 ' HB2' ' HB2' ' A' ' 524' ' ' CYS . 58.1 mtt85 -47.38 156.16 0.29 Allowed 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 123.837 0.855 . . . . 4.8 112.492 -171.623 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 510' ' ' GLU . . . . . 0.542 ' CD ' ' H ' ' A' ' 510' ' ' GLU . 1.3 pm0 -77.32 19.95 0.31 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.294 -0.867 . . . . 2.82 111.209 -179.247 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 511' ' ' ALA . . . . . 0.582 ' HB2' HD22 ' A' ' 522' ' ' ASN . . . 77.35 146.19 0.09 Allowed 'General case' 0 CA--C 1.52 -0.188 0 C-N-CA 123.963 0.905 . . . . 0.69 112.115 174.692 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 46.9 mtt -92.36 -63.7 1.2 Allowed 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.127 -1.064 . . . . 2.04 108.127 176.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 6.6 p -117.84 172.54 7.31 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.181 -0.918 . . . . 0.99 110.428 172.63 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 514' ' ' GLU . . . . . 0.461 ' HB3' ' HA ' ' A' ' 519' ' ' HIS . 29.9 mt-10 -88.72 154.99 19.85 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 108.377 -0.971 . . . . 0.98 108.377 171.352 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 16.7 t -41.45 112.34 0.3 Allowed 'General case' 0 N--CA 1.47 0.557 0 O-C-N 123.517 0.511 . . . . 0.38 110.423 178.368 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 73.9 p -65.42 -4.36 5.58 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 112.671 0.619 . . . . 0.67 112.671 -169.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -89.66 -14.65 59.42 Favored Glycine 0 N--CA 1.443 -0.868 0 C-N-CA 120.528 -0.844 . . . . 0.4 112.396 177.528 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 518' ' ' CYS . . . . . 0.502 ' HB2' ' HG3' ' A' ' 520' ' ' LYS . 30.1 p -156.95 -37.15 0.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.317 0.58 . . . . 0.34 112.16 -175.621 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 519' ' ' HIS . . . . . 0.461 ' HA ' ' HB3' ' A' ' 514' ' ' GLU . 10.4 m170 67.96 25.0 7.78 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 114.552 -1.204 . . . . 0.31 110.148 -173.489 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 520' ' ' LYS . . . . . 0.502 ' HG3' ' HB2' ' A' ' 518' ' ' CYS . 7.4 mtpm? -84.99 -10.37 57.1 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 115.861 -0.608 . . . . 2.27 110.781 178.733 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 521' ' ' VAL . . . . . . . . . . . . . 28.4 m -148.43 173.8 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 107.604 -1.258 . . . . 0.41 107.604 -178.053 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 522' ' ' ASN . . . . . 0.582 HD22 ' HB2' ' A' ' 511' ' ' ALA . 3.6 p-10 -146.34 150.12 35.1 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 120.66 -0.416 . . . . 1.19 111.134 -177.069 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 523' ' ' TYR . . . . . 0.517 ' CD2' ' HB2' ' A' ' 528' ' ' CYS . 93.7 m-85 -136.23 148.51 48.09 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.864 -0.607 . . . . 0.89 110.181 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 524' ' ' CYS . . . . . 0.779 ' HB3' ' HB2' ' A' ' 504' ' ' CYS . 20.3 p -57.09 -47.41 81.09 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.151 0.501 . . . . 0.36 111.062 -176.189 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 525' ' ' SER . . . . . 0.414 ' HB3' ' CE2' ' A' ' 527' ' ' PHE . 23.1 t -126.5 -177.93 4.17 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.524 -0.762 . . . . 1.18 110.495 179.463 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 21.9 m -70.59 -37.67 73.93 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.241 0.46 . . . . 0.46 112.241 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 527' ' ' PHE . . . . . 0.414 ' CE2' ' HB3' ' A' ' 525' ' ' SER . 32.1 p90 -58.59 -42.54 88.31 Favored 'General case' 0 N--CA 1.462 0.153 0 N-CA-C 112.451 0.537 . . . . 0.44 112.451 -171.379 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 528' ' ' CYS . . . . . 0.881 ' HB3' HD22 ' A' ' 506' ' ' ASN . 0.0 OUTLIER -65.99 -35.06 79.54 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-O 121.133 0.492 . . . . 0.55 110.847 -179.516 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 529' ' ' GLN . . . . . 0.614 ' O ' ' HB3' ' A' ' 533' ' ' TRP . 8.5 tt0 -63.37 -43.24 98.21 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 115.487 -0.779 . . . . 2.38 109.495 -175.763 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 530' ' ' ARG . . . . . 0.492 ' HA ' ' HD3' ' A' ' 530' ' ' ARG . 11.4 mmt180 -77.15 -46.39 23.57 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.476 -0.784 . . . . 3.94 112.323 178.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 48.9 mtpt -56.99 -57.39 12.76 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 121.349 0.595 . . . . 3.15 111.374 -178.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 532' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.57 -24.12 67.01 Favored 'General case' 0 CA--C 1.508 -0.642 0 CA-C-N 115.389 -0.823 . . . . 2.61 112.23 -176.159 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 533' ' ' TRP . . . . . 1.098 ' HA ' ' HB3' ' A' ' 536' ' ' HIS . 0.0 OUTLIER -73.55 -6.27 45.47 Favored 'General case' 0 N--CA 1.436 -1.133 0 CA-C-N 115.944 -0.571 . . . . 0.62 110.761 -175.864 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 534' ' ' LYS . . . . . 0.623 ' HE2' ' HA ' ' A' ' 534' ' ' LYS . 11.0 mmmm -67.56 -16.13 64.02 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 119.131 -1.028 . . . . 2.1 109.513 175.103 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 535' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -104.78 -40.46 5.96 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 114.747 -1.115 . . . . 2.04 109.744 167.145 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 536' ' ' HIS . . . . . 1.098 ' HB3' ' HA ' ' A' ' 533' ' ' TRP . 28.5 t60 -62.73 -26.38 68.66 Favored 'General case' 0 CA--C 1.55 0.954 0 N-CA-C 113.233 0.827 . . . . 0.51 113.233 -179.441 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 537' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -45.65 -29.11 1.14 Allowed 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 122.946 0.498 . . . . 1.3 111.596 176.32 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 538' ' ' HIS . . . . . . . . . . . . . 20.4 m-70 -70.23 -24.99 63.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.894 -0.594 . . . . 0.72 111.668 -179.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 539' ' ' ILE . . . . . . . . . . . . . 28.4 pt -119.79 4.54 6.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 120.78 0.324 . . . . 1.42 111.081 -170.192 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 3.4 t -78.46 125.51 29.47 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 109.5 -0.556 . . . . 0.62 109.5 179.104 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -61.85 -17.02 53.74 Favored Glycine 0 CA--C 1.521 0.436 0 CA-C-N 115.044 -0.98 . . . . 2.02 113.248 179.257 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 21.3 tp60 60.84 48.3 6.99 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-O 121.388 0.613 . . . . 6.33 110.738 177.26 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 49.4 m 57.52 69.15 0.76 Allowed 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.28 -0.873 . . . . 6.92 112.044 176.342 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 544' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.656 -0.688 . . . . 8.83 109.643 177.121 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 503' ' ' SER . . . . . 0.655 ' HB2' ' O ' ' A' ' 509' ' ' ARG . 32.2 p . . . . . 0 N--CA 1.444 -0.734 0 CA-C-O 120.82 0.343 . . . . 1.32 110.078 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 504' ' ' CYS . . . . . 0.919 ' HB2' ' HB3' ' A' ' 524' ' ' CYS . 45.4 t -92.91 132.17 37.27 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 108.524 -0.917 . . . . 0.47 108.524 171.379 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 505' ' ' VAL . . . . . 0.567 ' HB ' ' CE1' ' A' ' 523' ' ' TYR . 2.7 t -80.86 12.18 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 121.324 0.583 . . . . 0.63 109.71 178.193 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 506' ' ' ASN . . . . . 0.489 ' HB3' ' HB3' ' A' ' 528' ' ' CYS . 11.8 t-20 -131.89 -39.12 1.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 1.4 111.214 -178.438 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 507' ' ' CYS . . . . . 0.425 ' HB2' ' H ' ' A' ' 508' ' ' GLY . 0.6 OUTLIER -122.14 -96.33 0.47 Allowed 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.456 -0.572 . . . . 0.81 109.456 176.354 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 508' ' ' GLY . . . . . 0.425 ' H ' ' HB2' ' A' ' 507' ' ' CYS . . . 162.74 52.58 0.02 OUTLIER Glycine 0 N--CA 1.443 -0.862 0 C-N-CA 120.19 -1.005 . . . . 1.2 114.567 171.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 509' ' ' ARG . . . . . 1.107 ' HB3' ' HB2' ' A' ' 524' ' ' CYS . 1.6 tpt180 -104.77 159.86 15.44 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 106.244 -1.762 . . . . 4.8 106.244 161.499 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -64.2 10.87 0.05 Allowed 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 115.593 1.701 . . . . 2.82 115.593 -162.137 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 511' ' ' ALA . . . . . 0.572 ' HA ' ' HA ' ' A' ' 524' ' ' CYS . . . 67.83 142.28 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 121.619 0.724 . . . . 0.69 111.877 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 81.2 mtp -114.43 -66.77 1.05 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.058 -0.519 . . . . 2.04 109.843 179.014 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 7.2 p -117.52 172.52 7.28 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.668 0.747 . . . . 0.99 111.177 175.045 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 514' ' ' GLU . . . . . 0.528 ' HB3' ' HA ' ' A' ' 519' ' ' HIS . 29.2 mt-10 -98.22 154.01 18.08 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 114.65 -1.159 . . . . 0.98 110.024 179.257 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 12.0 t -41.73 112.9 0.36 Allowed 'General case' 0 N--CA 1.468 0.439 0 O-C-N 123.829 0.706 . . . . 0.38 111.13 178.063 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 18.6 p -66.53 5.35 0.6 Allowed 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 113.167 0.803 . . . . 0.67 113.167 -172.142 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -97.58 -15.34 37.76 Favored Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 120.56 -0.829 . . . . 0.4 112.249 175.374 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 30.2 p -157.03 -34.73 0.08 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.52 0.676 . . . . 0.34 112.07 -174.471 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 519' ' ' HIS . . . . . 0.528 ' HA ' ' HB3' ' A' ' 514' ' ' GLU . 9.4 m170 60.9 32.06 20.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 114.628 -1.169 . . . . 0.31 109.926 -171.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 61.9 mtpt -90.07 -10.22 45.56 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.714 -0.676 . . . . 2.27 110.366 177.333 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 521' ' ' VAL . . . . . . . . . . . . . 27.0 m -145.57 167.18 9.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 107.117 -1.438 . . . . 0.41 107.117 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 522' ' ' ASN . . . . . 0.485 ' O ' HG23 ' A' ' 505' ' ' VAL . 8.5 p30 -144.76 150.83 37.9 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 120.88 0.371 . . . . 1.19 110.661 -177.493 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 523' ' ' TYR . . . . . 0.648 ' HB3' ' HB2' ' A' ' 528' ' ' CYS . 87.5 m-85 -137.54 157.99 45.34 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.961 -0.563 . . . . 0.89 110.651 -176.473 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 524' ' ' CYS . . . . . 1.107 ' HB2' ' HB3' ' A' ' 509' ' ' ARG . 13.0 p -64.39 -42.18 96.27 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.427 0.632 . . . . 0.36 110.597 -175.32 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 17.3 m -126.77 177.33 6.64 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.14 -0.937 . . . . 1.18 111.234 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 13.4 m -71.03 -41.51 70.74 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.276 0.473 . . . . 0.46 112.276 177.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 527' ' ' PHE . . . . . . . . . . . . . 45.2 p90 -58.9 -33.86 71.02 Favored 'General case' 0 C--N 1.333 -0.113 0 C-N-CA 120.993 -0.283 . . . . 0.44 111.416 -175.164 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 528' ' ' CYS . . . . . 0.648 ' HB2' ' HB3' ' A' ' 523' ' ' TYR . 0.5 OUTLIER -60.69 -41.4 95.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.804 0.335 . . . . 0.55 110.936 177.939 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 529' ' ' GLN . . . . . 0.559 ' O ' ' HB3' ' A' ' 533' ' ' TRP . 37.3 tt0 -60.77 -43.23 98.31 Favored 'General case' 0 C--O 1.218 -0.561 0 N-CA-C 108.819 -0.808 . . . . 2.38 108.819 -177.248 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 66.9 mtp180 -74.69 -46.82 35.27 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.024 -0.989 . . . . 3.94 111.679 -178.46 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -59.48 -55.24 37.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.836 -0.62 . . . . 3.15 111.182 -177.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 532' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -63.17 -33.35 75.27 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.097 -0.956 . . . . 2.61 111.67 -178.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 533' ' ' TRP . . . . . 1.045 ' HA ' ' HB3' ' A' ' 536' ' ' HIS . 0.0 OUTLIER -63.89 -10.01 18.41 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.277 -0.874 . . . . 0.62 112.321 -168.299 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 534' ' ' LYS . . . . . 0.415 ' HA ' ' HD3' ' A' ' 534' ' ' LYS . 58.8 mmtt -63.15 -20.07 65.06 Favored 'General case' 0 C--N 1.319 -0.743 0 O-C-N 121.277 -0.889 . . . . 2.1 109.463 174.685 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 535' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -99.81 -44.83 5.94 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.141 -0.936 . . . . 2.04 109.473 169.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 536' ' ' HIS . . . . . 1.045 ' HB3' ' HA ' ' A' ' 533' ' ' TRP . 58.2 t60 -61.49 -31.75 71.74 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 113.823 1.045 . . . . 0.51 113.823 -178.247 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 537' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -46.58 -31.39 2.78 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.224 0.609 . . . . 1.3 112.176 -178.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 538' ' ' HIS . . . . . . . . . . . . . 51.9 m-70 -72.12 -16.65 62.0 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.94 -0.573 . . . . 0.72 111.548 -177.21 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 539' ' ' ILE . . . . . . . . . . . . . 27.1 pt -120.46 0.32 7.51 Favored 'Isoleucine or valine' 0 C--O 1.237 0.407 0 C-N-CA 120.761 -0.375 . . . . 1.42 111.682 -175.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 4.1 t -78.74 119.82 22.5 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-O 121.17 0.51 . . . . 0.62 109.962 -179.229 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . 87.18 -46.25 3.51 Favored Glycine 0 C--N 1.318 -0.427 0 CA-C-N 115.497 -0.774 . . . . 2.02 111.961 178.245 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -66.65 101.92 0.85 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.821 0.344 . . . . 6.33 110.499 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 9.1 m -139.74 138.25 35.78 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.144 -0.48 . . . . 6.92 110.382 -177.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 544' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.957 0 CA-C-O 118.646 -0.692 . . . . 8.83 110.29 178.69 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 503' ' ' SER . . . . . 0.645 ' HA ' ' HA ' ' A' ' 510' ' ' GLU . 67.4 m . . . . . 0 N--CA 1.44 -0.974 0 N-CA-C 105.734 -1.95 . . . . 1.32 105.734 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 504' ' ' CYS . . . . . 0.802 ' HB2' ' HB3' ' A' ' 524' ' ' CYS . 46.4 t -53.04 111.35 0.66 Allowed 'General case' 0 N--CA 1.441 -0.913 0 C-N-CA 118.764 -1.174 . . . . 0.47 108.612 167.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 39.9 t -67.6 -4.42 2.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-O 121.711 0.767 . . . . 0.63 109.277 178.452 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 506' ' ' ASN . . . . . 0.445 ' HB3' ' SG ' ' A' ' 504' ' ' CYS . 6.5 t30 -106.7 -43.03 4.81 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.422 -0.808 . . . . 1.4 111.843 -176.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -138.18 -82.44 0.32 Allowed 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 113.981 1.104 . . . . 0.81 113.981 -176.719 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 508' ' ' GLY . . . . . . . . . . . . . . . -117.2 -112.39 2.64 Favored Glycine 0 C--N 1.335 0.493 0 N-CA-C 116.105 1.202 . . . . 1.2 116.105 -159.355 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 509' ' ' ARG . . . . . 0.427 HH11 ' HD3' ' A' ' 509' ' ' ARG . 0.0 OUTLIER -66.66 -178.77 0.75 Allowed 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 114.747 -0.726 . . . . 4.8 111.858 -169.918 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 510' ' ' GLU . . . . . 0.645 ' HA ' ' HA ' ' A' ' 503' ' ' SER . 8.6 pt-20 -56.98 -50.34 72.98 Favored 'General case' 0 N--CA 1.462 0.16 0 N-CA-C 112.131 0.419 . . . . 2.82 112.131 -167.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 511' ' ' ALA . . . . . 0.533 ' HB2' ' HB2' ' A' ' 522' ' ' ASN . . . 161.15 166.37 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 123.782 0.676 . . . . 0.69 111.161 -178.359 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 67.2 mtt -105.04 -61.68 1.44 Allowed 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 107.838 -1.171 . . . . 2.04 107.838 164.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 19.6 m -118.8 170.92 8.59 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.403 -0.817 . . . . 0.99 110.389 172.018 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 514' ' ' GLU . . . . . 0.574 ' HG2' ' HB3' ' A' ' 522' ' ' ASN . 36.5 mt-10 -101.84 156.95 17.2 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 108.57 -0.9 . . . . 0.98 108.57 171.404 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 515' ' ' CYS . . . . . 0.447 ' HB2' HG23 ' A' ' 521' ' ' VAL . 35.8 t -39.16 108.87 0.09 Allowed 'General case' 0 C--O 1.217 -0.635 0 O-C-N 124.012 0.82 . . . . 0.38 111.347 -176.189 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 32.9 p -63.15 1.23 0.49 Allowed 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.345 0.869 . . . . 0.67 113.345 -169.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -99.32 -11.99 43.39 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.684 -0.77 . . . . 0.4 113.03 176.091 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 24.8 p -161.52 -34.75 0.05 OUTLIER 'General case' 0 CA--C 1.534 0.33 0 CA-C-O 121.542 0.686 . . . . 0.34 111.583 -174.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 519' ' ' HIS . . . . . 0.489 ' HB3' ' HB2' ' A' ' 514' ' ' GLU . 5.5 m170 66.98 32.43 6.37 Favored 'General case' 0 C--O 1.224 -0.268 0 C-N-CA 124.985 1.314 . . . . 0.31 110.099 -176.266 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 51.5 mttp -85.59 -11.82 53.04 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.291 -0.413 . . . . 2.27 111.15 176.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 521' ' ' VAL . . . . . 0.447 HG23 ' HB2' ' A' ' 515' ' ' CYS . 10.5 m -141.29 159.19 22.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 107.475 -1.306 . . . . 0.41 107.475 -177.203 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 522' ' ' ASN . . . . . 0.574 ' HB3' ' HG2' ' A' ' 514' ' ' GLU . 3.0 p-10 -137.48 145.61 43.26 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 121.299 0.571 . . . . 1.19 111.28 -172.104 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 523' ' ' TYR . . . . . 0.892 ' HB3' ' HB2' ' A' ' 528' ' ' CYS . 84.9 m-85 -138.71 147.95 43.36 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 114.947 -1.024 . . . . 0.89 110.192 -172.695 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 524' ' ' CYS . . . . . 0.802 ' HB3' ' HB2' ' A' ' 504' ' ' CYS . 11.6 p -69.43 -36.95 77.16 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 115.39 -0.823 . . . . 0.36 111.166 -174.468 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 45.4 m -127.37 177.57 6.63 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.942 -0.572 . . . . 1.18 111.21 175.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 69.1 m -70.93 -41.59 70.99 Favored 'General case' 0 C--O 1.236 0.355 0 N-CA-C 112.249 0.463 . . . . 0.46 112.249 178.38 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 527' ' ' PHE . . . . . . . . . . . . . 43.1 p90 -58.72 -34.78 71.72 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 120.986 -0.286 . . . . 0.44 110.942 -176.423 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 528' ' ' CYS . . . . . 0.892 ' HB2' ' HB3' ' A' ' 523' ' ' TYR . 2.1 m -56.55 -46.85 80.45 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-O 121.244 0.545 . . . . 0.55 110.907 178.405 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 529' ' ' GLN . . . . . 0.796 ' O ' ' HB3' ' A' ' 533' ' ' TRP . 14.7 tt0 -62.57 -44.19 96.95 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 114.995 -1.002 . . . . 2.38 109.214 -175.175 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 530' ' ' ARG . . . . . 0.573 ' O ' ' HE2' ' A' ' 534' ' ' LYS . 37.8 mtp180 -74.73 -33.81 62.43 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 114.955 -1.021 . . . . 3.94 111.713 -175.572 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 531' ' ' LYS . . . . . 0.711 ' O ' ' HG2' ' A' ' 534' ' ' LYS . 66.6 mttm -77.67 -52.79 8.41 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.029 0.381 . . . . 3.15 112.029 -176.753 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 532' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -66.77 -27.23 67.42 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.344 0.593 . . . . 2.61 111.114 -176.52 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 533' ' ' TRP . . . . . 0.796 ' HB3' ' O ' ' A' ' 529' ' ' GLN . 0.0 OUTLIER -71.24 0.28 8.28 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.639 -0.709 . . . . 0.62 112.329 -171.355 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 534' ' ' LYS . . . . . 0.711 ' HG2' ' O ' ' A' ' 531' ' ' LYS . 65.4 mmtt -60.38 -28.57 68.31 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 108.349 -0.982 . . . . 2.1 108.349 173.719 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 535' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -85.1 -45.43 12.09 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 114.613 -1.176 . . . . 2.04 109.819 173.524 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 536' ' ' HIS . . . . . 0.771 ' HB3' ' HA ' ' A' ' 533' ' ' TRP . 37.9 t60 -67.79 -31.84 72.0 Favored 'General case' 0 CA--C 1.551 1.003 0 N-CA-C 114.164 1.172 . . . . 0.51 114.164 -176.058 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 537' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -50.08 -25.6 3.62 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.136 0.575 . . . . 1.3 112.182 -177.076 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 538' ' ' HIS . . . . . . . . . . . . . 42.4 m-70 -74.7 -17.29 60.69 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.066 -0.516 . . . . 0.72 111.053 -177.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 539' ' ' ILE . . . . . 0.437 HG12 ' O ' ' A' ' 536' ' ' HIS . 29.0 pt -120.87 -7.59 10.26 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 C-N-CA 120.581 -0.448 . . . . 1.42 110.873 -172.48 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 4.7 t -70.31 148.97 47.88 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-O 121.478 0.656 . . . . 0.62 110.153 -177.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . 92.29 -32.8 5.26 Favored Glycine 0 C--N 1.306 -1.138 0 CA-C-N 114.569 -1.196 . . . . 2.02 112.091 178.066 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 -70.07 115.4 9.24 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.122 0.487 . . . . 6.33 110.175 -179.211 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 45.7 m -113.11 3.74 16.25 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.264 0.554 . . . . 6.92 109.592 173.378 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 544' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.833 0 CA-C-N 115.332 -0.849 . . . . 8.83 109.724 178.791 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_