data_2l8e_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 2l8e _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 ' 796' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.233 0.21 0 CA-C-O 121.435 0.636 . . . . 1.6799999999999999 111.522 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 797' ' ' LEU . . . . . 0.44 HD23 ' C ' ' A' ' 807' ' ' ALA . 15.6 mt -98.17 152.6 19.19 Favored 'General case' 0 N--CA 1.441 -0.92 0 CA-C-O 122.093 0.949 . . . . 1.3200000000000001 112.275 -178.643 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 798' ' ' LEU . . . . . 0.494 HD13 ' N ' ' A' ' 799' ' ' LYS . 1.0 OUTLIER -145.23 179.91 7.07 Favored 'General case' 0 C--N 1.305 -1.366 0 N-CA-C 103.717 -2.698 . . . . 1.99 103.717 166.714 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 799' ' ' LYS . . . . . 0.494 ' N ' HD13 ' A' ' 798' ' ' LEU . 0.0 OUTLIER -145.01 148.0 33.25 Favored 'General case' 0 C--N 1.315 -0.892 0 C-N-CA 116.75 -1.98 . . . . 2.3799999999999999 113.547 -176.02 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 800' ' ' CYS . . . . . 0.516 ' C ' ' H ' ' A' ' 802' ' ' TYR . 53.9 t -49.62 111.33 0.49 Allowed 'General case' 0 N--CA 1.44 -0.933 0 CA-C-N 112.366 -2.197 . . . . 0.40999999999999998 111.26 178.742 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 55.4 mm-40 -62.92 12.88 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 112.667 0.617 . . . . 2.4199999999999999 112.667 177.098 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 802' ' ' TYR . . . . . 0.516 ' H ' ' C ' ' A' ' 800' ' ' CYS . 36.0 t80 -105.81 -89.63 0.43 Allowed 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 108.672 -0.862 . . . . 1.21 108.672 171.004 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 3.2 p -65.45 -32.74 74.52 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 113.841 1.052 . . . . 0.51000000000000001 113.841 177.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 90.85 20.13 41.04 Favored Glycine 0 C--N 1.318 -0.46 0 C-N-CA 119.833 -1.175 . . . . 0.27000000000000002 113.358 174.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 805' ' ' LYS . . . . . . . . . . . . . 64.1 mttm -82.16 136.69 35.1 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.688 0.28 . . . . 2.73 110.635 178.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 806' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -88.15 138.41 31.47 Favored 'General case' 0 CA--C 1.514 -0.414 0 CA-C-N 115.752 -0.658 . . . . 1.22 109.83 -177.045 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 807' ' ' ALA . . . . . 0.44 ' C ' HD23 ' A' ' 797' ' ' LEU . . . -157.09 160.68 30.47 Favored Pre-proline 0 C--N 1.315 -0.912 0 CA-C-N 115.386 -0.825 . . . . 1.0800000000000001 109.477 -176.003 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 808' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_exo -63.23 125.85 16.61 Favored 'Trans proline' 0 N--CA 1.451 -0.983 0 C-N-CA 121.37 1.38 . . . . 0.95999999999999996 109.909 176.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 809' ' ' ALA . . . . . 0.468 ' HA ' ' CD1' ' A' ' 812' ' ' PHE . . . -42.08 -26.96 0.11 Allowed 'General case' 0 N--CA 1.477 0.879 0 O-C-N 124.45 1.093 . . . . 1.0600000000000001 113.568 -177.023 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -61.32 -26.35 67.74 Favored 'General case' 0 C--N 1.318 -0.768 0 C-N-CA 122.885 0.474 . . . . 2.8599999999999999 112.2 178.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.29 -2.07 58.36 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.664 0.745 . . . . 1.48 109.769 -177.399 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 812' ' ' PHE . . . . . 0.468 ' CD1' ' HA ' ' A' ' 809' ' ' ALA . 67.6 m-85 -91.86 62.84 4.42 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 122.144 0.973 . . . . 0.68999999999999995 109.089 -176.773 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 813' ' ' ARG . . . . . 0.426 ' C ' ' H ' ' A' ' 815' ' ' SER . 14.1 mmm-85 -71.99 -5.25 33.58 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 113.523 -1.671 . . . . 4.71 110.645 -178.125 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . -82.64 33.83 2.77 Favored Glycine 0 N--CA 1.449 -0.451 0 N-CA-C 111.087 -0.805 . . . . 2.2000000000000002 111.087 173.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 815' ' ' SER . . . . . 0.426 ' H ' ' C ' ' A' ' 813' ' ' ARG . 16.3 m 56.61 47.11 19.12 Favored 'General case' 0 C--O 1.231 0.126 0 C-N-CA 123.29 0.636 . . . . 2.1699999999999999 111.016 -179.349 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp 55.36 58.21 4.81 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 114.891 -1.049 . . . . 2.21 111.299 171.329 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 817' ' ' ARG . . . . . . . . . . . . . 60.0 mtt85 -144.3 -42.56 0.26 Allowed 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 107.865 -1.161 . . . . 3.73 107.865 178.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 818' ' ' PHE . . . . . 0.436 ' HA ' ' HA ' ' A' ' 800' ' ' CYS . 93.0 m-85 -135.98 162.86 31.68 Favored 'General case' 0 N--CA 1.438 -1.066 0 CA-C-N 114.275 -1.329 . . . . 0.57999999999999996 108.585 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 819' ' ' CYS . . . . . . . . . . . . . 1.8 p -68.57 -157.79 0.02 OUTLIER 'General case' 0 C--N 1.315 -0.931 0 N-CA-C 108.822 -0.807 . . . . 1.3600000000000001 108.822 170.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 29.8 p -67.87 -131.04 0.0 OUTLIER 'General case' 0 CA--C 1.55 0.973 0 N-CA-C 113.751 1.019 . . . . 1.76 113.751 -160.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 821' ' ' MET . . . . . 0.618 ' O ' ' HG2' ' A' ' 825' ' ' LYS . 32.4 mmt -78.46 -57.56 3.71 Favored 'General case' 0 CA--C 1.515 -0.394 0 O-C-N 121.001 -1.062 . . . . 2.6000000000000001 112.134 -161.117 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 822' ' ' THR . . . . . 0.411 ' O ' ' HB2' ' A' ' 826' ' ' ARG . 4.1 m -44.35 -51.98 8.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 123.701 0.626 . . . . 1.3300000000000001 112.04 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 823' ' ' CYS . . . . . . . . . . . . . 91.5 m -73.07 -54.04 9.55 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 113.777 1.028 . . . . 0.62 113.777 -175.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 824' ' ' ALA . . . . . . . . . . . . . . . -58.73 -45.08 90.42 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-O 120.652 0.263 . . . . 0.95999999999999996 111.408 -177.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 825' ' ' LYS . . . . . 0.618 ' HG2' ' O ' ' A' ' 821' ' ' MET . 19.1 ptmt -66.12 -27.68 68.23 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 121.018 -0.273 . . . . 2.9900000000000002 111.138 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 826' ' ' ARG . . . . . 0.411 ' HB2' ' O ' ' A' ' 822' ' ' THR . 66.8 ttt180 -73.8 -23.82 59.74 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 121.464 0.649 . . . . 4.1799999999999997 110.069 -173.619 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 827' ' ' TYR . . . . . . . . . . . . . 79.8 t80 . . . . . 0 C--N 1.327 -0.411 0 CA-C-N 115.074 -0.966 . . . . 1.5600000000000001 110.051 177.189 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 796' ' ' ASN . . . . . 0.461 ' N ' HD21 ' A' ' 796' ' ' ASN . 0.0 OUTLIER . . . . . 0 CA--C 1.528 0.112 0 CA-C-O 122.026 0.917 . . . . 1.6799999999999999 109.753 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 797' ' ' LEU . . . . . . . . . . . . . 16.2 mt -90.48 147.29 23.49 Favored 'General case' 0 N--CA 1.442 -0.842 0 CA-C-N 115.624 -0.716 . . . . 1.3200000000000001 111.214 -171.448 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 798' ' ' LEU . . . . . 0.492 ' C ' HD22 ' A' ' 798' ' ' LEU . 0.0 OUTLIER -144.89 171.12 14.89 Favored 'General case' 0 C--N 1.309 -1.171 0 N-CA-C 104.814 -2.291 . . . . 1.99 104.814 169.129 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 799' ' ' LYS . . . . . 0.455 ' HD2' ' CE2' ' A' ' 806' ' ' TYR . 0.0 OUTLIER -135.69 139.92 44.05 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 116.63 -2.028 . . . . 2.3799999999999999 114.203 -171.575 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 800' ' ' CYS . . . . . 0.733 ' HB2' ' SG ' ' A' ' 819' ' ' CYS . 49.0 t -42.55 116.43 0.85 Allowed 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 111.324 -2.671 . . . . 0.40999999999999998 113.105 178.16 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -59.26 -3.48 0.41 Allowed 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 115.293 -0.867 . . . . 2.4199999999999999 112.793 176.284 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 802' ' ' TYR . . . . . 0.481 ' HB2' ' CE1' ' A' ' 818' ' ' PHE . 21.9 t80 -102.68 -49.73 3.75 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.261 -0.576 . . . . 1.21 110.899 -179.602 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 7.7 p -112.4 -27.27 8.34 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.749 0.648 . . . . 0.51000000000000001 112.749 -177.051 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 90.88 19.11 44.67 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.061 -1.066 . . . . 0.27000000000000002 112.718 174.104 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 805' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -79.45 132.02 36.24 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.937 -0.394 . . . . 2.73 109.937 178.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 806' ' ' TYR . . . . . 0.455 ' CE2' ' HD2' ' A' ' 799' ' ' LYS . 73.1 m-85 -89.54 131.09 35.73 Favored 'General case' 0 CA--C 1.515 -0.37 0 N-CA-C 109.644 -0.502 . . . . 1.22 109.644 -179.384 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -156.11 157.12 31.11 Favored Pre-proline 0 C--N 1.319 -0.743 0 CA-C-N 115.62 -0.718 . . . . 1.0800000000000001 109.825 -177.047 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 808' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_exo -58.2 126.98 23.16 Favored 'Trans proline' 0 N--CA 1.461 -0.397 0 C-N-CA 122.602 2.201 . . . . 0.95999999999999996 111.584 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 809' ' ' ALA . . . . . . . . . . . . . . . -44.89 -32.98 1.78 Allowed 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 113.741 1.015 . . . . 1.0600000000000001 113.741 -177.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 2.7 pm0 -58.83 -28.5 66.1 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.025 -0.534 . . . . 2.8599999999999999 111.636 179.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -78.81 -29.6 44.94 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.271 -0.422 . . . . 1.48 110.508 -179.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 812' ' ' PHE . . . . . 0.724 ' HB3' ' HA ' ' A' ' 816' ' ' LYS . 33.6 m-85 -69.84 54.99 0.13 Allowed 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 113.176 0.806 . . . . 0.68999999999999995 113.176 -179.529 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 69.9 mtm-85 -79.39 14.38 1.59 Allowed 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.76 -0.655 . . . . 4.71 110.922 175.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . -94.46 42.57 2.43 Favored Glycine 0 N--CA 1.444 -0.776 0 N-CA-C 110.174 -1.17 . . . . 2.2000000000000002 110.174 167.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 7.8 t 60.76 39.87 16.77 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 121.336 0.588 . . . . 2.1699999999999999 111.118 -178.191 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 816' ' ' LYS . . . . . 0.724 ' HA ' ' HB3' ' A' ' 812' ' ' PHE . 97.4 mttt 47.36 56.46 6.93 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 114.587 -1.188 . . . . 2.21 111.989 165.648 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 817' ' ' ARG . . . . . . . . . . . . . 61.6 mtm180 -153.91 -31.34 0.12 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 113.538 -1.665 . . . . 3.73 109.062 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 818' ' ' PHE . . . . . 0.481 ' CE1' ' HB2' ' A' ' 802' ' ' TYR . 81.2 m-85 -133.5 136.77 45.29 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 109.313 -0.625 . . . . 0.57999999999999996 109.313 175.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 819' ' ' CYS . . . . . 0.733 ' SG ' ' HB2' ' A' ' 800' ' ' CYS . 0.8 OUTLIER -73.98 103.54 4.51 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 116.11 -0.496 . . . . 1.3600000000000001 111.413 -173.303 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 56.5 p 82.75 -154.38 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.573 1.149 . . . . 1.76 110.001 163.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 821' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.9 -60.38 2.03 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.846 0.355 . . . . 2.6000000000000001 111.117 -172.771 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 822' ' ' THR . . . . . 0.432 ' HA ' ' HD3' ' A' ' 825' ' ' LYS . 0.5 OUTLIER -45.56 -41.71 10.18 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 113.649 0.981 . . . . 1.3300000000000001 113.649 177.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 823' ' ' CYS . . . . . 0.591 ' HB2' ' O ' ' A' ' 819' ' ' CYS . 93.2 m -74.41 -43.83 54.62 Favored 'General case' 0 C--N 1.313 -1.003 0 N-CA-C 112.407 0.521 . . . . 0.62 112.407 178.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 824' ' ' ALA . . . . . . . . . . . . . . . -61.84 -44.6 96.51 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.501 -0.318 . . . . 0.95999999999999996 111.324 179.479 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 825' ' ' LYS . . . . . 0.432 ' HD3' ' HA ' ' A' ' 822' ' ' THR . 0.0 OUTLIER -64.7 -27.66 69.07 Favored 'General case' 0 C--O 1.227 -0.121 0 CA-C-O 120.965 0.412 . . . . 2.9900000000000002 110.629 178.478 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 7.4 tpp180 -66.89 -31.03 71.36 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 115.642 -0.708 . . . . 4.1799999999999997 110.873 -176.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 827' ' ' TYR . . . . . . . . . . . . . 88.7 t80 . . . . . 0 C--N 1.329 -0.324 0 C-N-CA 120.743 -0.383 . . . . 1.5600000000000001 110.434 178.013 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 796' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.237 0.422 0 N-CA-C 109.264 -0.643 . . . . 1.6799999999999999 109.264 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 797' ' ' LEU . . . . . . . . . . . . . 22.3 mt -93.57 153.68 18.29 Favored 'General case' 0 N--CA 1.441 -0.914 0 CA-C-O 121.772 0.796 . . . . 1.3200000000000001 111.198 -172.148 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 798' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -150.39 -174.08 4.64 Favored 'General case' 0 C--N 1.308 -1.215 0 N-CA-C 105.031 -2.211 . . . . 1.99 105.031 171.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 799' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.78 143.07 25.15 Favored 'General case' 0 C--N 1.313 -0.989 0 C-N-CA 117.118 -1.833 . . . . 2.3799999999999999 114.292 -174.19 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 800' ' ' CYS . . . . . 0.634 ' HB2' ' SG ' ' A' ' 819' ' ' CYS . 39.8 t -44.75 108.09 0.11 Allowed 'General case' 0 N--CA 1.446 -0.67 0 CA-C-N 112.124 -2.307 . . . . 0.40999999999999998 112.18 178.837 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -65.01 16.2 0.02 OUTLIER 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 113.001 0.741 . . . . 2.4199999999999999 113.001 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 802' ' ' TYR . . . . . 0.49 ' H ' ' C ' ' A' ' 800' ' ' CYS . 27.8 t80 -110.56 -41.3 4.36 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 110.045 -0.354 . . . . 1.21 110.045 173.404 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 803' ' ' CYS . . . . . 0.506 ' SG ' ' SG ' ' A' ' 800' ' ' CYS . 9.1 p -116.56 -35.48 4.23 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 112.77 0.656 . . . . 0.51000000000000001 112.77 -178.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 96.07 22.52 19.9 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.607 -0.806 . . . . 0.27000000000000002 112.761 177.448 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 805' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -84.2 129.72 34.87 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 122.508 -0.407 . . . . 2.73 110.056 179.139 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 806' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -84.56 136.4 33.81 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-O 121.299 0.571 . . . . 1.22 111.187 -173.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -161.53 158.14 22.19 Favored Pre-proline 0 N--CA 1.446 -0.668 0 CA-C-N 114.87 -1.059 . . . . 1.0800000000000001 109.609 -176.328 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 808' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo -59.87 131.17 38.19 Favored 'Trans proline' 0 N--CA 1.457 -0.657 0 C-N-CA 122.349 2.032 . . . . 0.95999999999999996 110.955 174.347 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 809' ' ' ALA . . . . . . . . . . . . . . . -43.22 -21.44 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 113.944 1.091 . . . . 1.0600000000000001 113.944 177.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 810' ' ' GLU . . . . . 0.496 ' O ' ' HG3' ' A' ' 813' ' ' ARG . 3.0 mm-40 -63.38 -26.44 68.75 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.91 0.707 . . . . 2.8599999999999999 112.91 179.392 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -76.5 -28.42 56.43 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.13 -0.693 . . . . 1.48 109.13 -178.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 812' ' ' PHE . . . . . 0.748 ' HB3' ' HA ' ' A' ' 816' ' ' LYS . 2.7 m-85 -70.29 45.13 0.07 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 114.524 -1.216 . . . . 0.68999999999999995 112.967 179.294 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 813' ' ' ARG . . . . . 0.496 ' HG3' ' O ' ' A' ' 810' ' ' GLU . 98.4 mtt180 -82.4 145.35 29.93 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.007 -0.738 . . . . 4.71 109.007 173.724 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 93.71 -41.21 2.67 Favored Glycine 0 N--CA 1.445 -0.735 0 N-CA-C 110.976 -0.849 . . . . 2.2000000000000002 110.976 -170.141 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 12.9 p -171.03 124.98 0.65 Allowed 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 122.584 0.353 . . . . 2.1699999999999999 110.433 177.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 816' ' ' LYS . . . . . 0.748 ' HA ' ' HB3' ' A' ' 812' ' ' PHE . 72.6 mmtt -76.81 54.33 0.98 Allowed 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 121.221 0.534 . . . . 2.21 110.177 179.496 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 817' ' ' ARG . . . . . . . . . . . . . 37.4 mmt180 -140.1 -30.66 0.67 Allowed 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 123.613 0.765 . . . . 3.73 110.233 -171.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 818' ' ' PHE . . . . . 0.577 ' HA ' ' HA ' ' A' ' 800' ' ' CYS . 55.5 m-85 -136.59 164.28 28.57 Favored 'General case' 0 CA--C 1.512 -0.487 0 N-CA-C 109.736 -0.468 . . . . 0.57999999999999996 109.736 -177.629 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 819' ' ' CYS . . . . . 0.634 ' SG ' ' HB2' ' A' ' 800' ' ' CYS . 0.6 OUTLIER -68.37 -157.41 0.02 OUTLIER 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 108.534 -0.913 . . . . 1.3600000000000001 108.534 167.174 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 62.1 p -67.49 -137.1 0.0 OUTLIER 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 113.716 1.006 . . . . 1.76 113.716 -159.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 821' ' ' MET . . . . . 0.412 ' SD ' ' HD2' ' A' ' 825' ' ' LYS . 0.0 OUTLIER -73.89 -51.93 14.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 121.014 -1.053 . . . . 2.6000000000000001 111.153 -159.764 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 822' ' ' THR . . . . . . . . . . . . . 7.4 m -44.23 -50.47 8.81 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 123.548 0.53 . . . . 1.3300000000000001 112.421 177.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 823' ' ' CYS . . . . . . . . . . . . . 69.0 m -72.37 -47.14 51.79 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 113.282 0.845 . . . . 0.62 113.282 -172.269 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 824' ' ' ALA . . . . . . . . . . . . . . . -60.82 -45.23 95.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.323 0.582 . . . . 0.95999999999999996 109.896 175.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 825' ' ' LYS . . . . . 0.412 ' HD2' ' SD ' ' A' ' 821' ' ' MET . 42.1 tttp -58.77 -37.09 75.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.16 -0.927 . . . . 2.9900000000000002 111.867 176.036 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 29.2 tpt180 -66.47 -33.02 74.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 4.1799999999999997 111.586 -175.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 827' ' ' TYR . . . . . . . . . . . . . 50.0 t80 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.294 -0.412 . . . . 1.5600000000000001 110.038 -176.426 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 796' ' ' ASN . . . . . . . . . . . . . 9.7 p30 . . . . . 0 N--CA 1.449 -0.51 0 N-CA-C 108.86 -0.793 . . . . 1.6799999999999999 108.86 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 797' ' ' LEU . . . . . 0.425 HD22 ' HA ' ' A' ' 808' ' ' PRO . 21.6 mt -92.43 147.85 22.58 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-O 121.286 0.565 . . . . 1.3200000000000001 110.444 -170.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 798' ' ' LEU . . . . . 0.532 HD13 ' N ' ' A' ' 799' ' ' LYS . 1.3 pp -146.27 178.95 7.85 Favored 'General case' 0 C--N 1.307 -1.277 0 N-CA-C 105.26 -2.126 . . . . 1.99 105.26 171.579 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 799' ' ' LYS . . . . . 0.532 ' N ' HD13 ' A' ' 798' ' ' LEU . 20.9 pttm -142.02 146.83 35.98 Favored 'General case' 0 N--CA 1.44 -0.963 0 C-N-CA 116.403 -2.119 . . . . 2.3799999999999999 114.118 -171.598 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 800' ' ' CYS . . . . . 0.742 ' HB2' ' SG ' ' A' ' 819' ' ' CYS . 52.6 t -52.19 102.6 0.05 Allowed 'General case' 0 N--CA 1.443 -0.806 0 CA-C-N 111.747 -2.479 . . . . 0.40999999999999998 111.398 174.807 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -67.67 19.13 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 112.973 0.731 . . . . 2.4199999999999999 112.973 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 802' ' ' TYR . . . . . 0.512 ' H ' ' C ' ' A' ' 800' ' ' CYS . 60.5 t80 -105.44 -44.23 4.76 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.454 -0.573 . . . . 1.21 109.454 171.389 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 803' ' ' CYS . . . . . 0.51 ' SG ' ' SG ' ' A' ' 800' ' ' CYS . 19.4 p -114.04 -27.14 7.8 Favored 'General case' 0 N--CA 1.463 0.209 0 N-CA-C 112.414 0.524 . . . . 0.51000000000000001 112.414 -178.466 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 804' ' ' GLY . . . . . 0.453 ' O ' ' HD2' ' A' ' 799' ' ' LYS . . . 91.62 17.61 48.26 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.284 -0.96 . . . . 0.27000000000000002 112.367 173.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 805' ' ' LYS . . . . . 0.403 ' HA ' ' HD3' ' A' ' 805' ' ' LYS . 41.8 mmtm -87.02 131.09 34.2 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 110.29 -0.263 . . . . 2.73 110.29 -177.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 806' ' ' TYR . . . . . 0.468 ' CZ ' ' HD3' ' A' ' 799' ' ' LYS . 24.7 m-85 -88.56 137.94 31.87 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-O 120.922 0.392 . . . . 1.22 110.011 -175.438 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -160.21 162.15 24.48 Favored Pre-proline 0 C--N 1.321 -0.64 0 CA-C-N 115.407 -0.815 . . . . 1.0800000000000001 109.943 -176.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 808' ' ' PRO . . . . . 0.425 ' HA ' HD22 ' A' ' 797' ' ' LEU . 20.2 Cg_exo -66.05 128.61 19.99 Favored 'Trans proline' 0 N--CA 1.462 -0.376 0 C-N-CA 122.435 2.09 . . . . 0.95999999999999996 111.355 -178.243 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 809' ' ' ALA . . . . . 0.476 ' O ' ' HE3' ' A' ' 816' ' ' LYS . . . -42.95 -29.72 0.35 Allowed 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 113.697 0.999 . . . . 1.0600000000000001 113.697 -178.836 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 22.7 tp10 -57.57 -38.94 75.65 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 123.129 0.572 . . . . 2.8599999999999999 112.495 -177.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 811' ' ' GLN . . . . . 0.417 ' HG2' ' O ' ' A' ' 808' ' ' PRO . 7.1 pt20 -75.79 -18.88 59.35 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 121.191 -0.203 . . . . 1.48 111.117 -177.238 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 812' ' ' PHE . . . . . 0.565 ' HB3' ' HA ' ' A' ' 816' ' ' LYS . 77.7 m-85 -69.33 62.96 0.15 Allowed 'General case' 0 CA--C 1.53 0.177 0 CA-C-O 121.733 0.778 . . . . 0.68999999999999995 112.057 174.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 85.8 mtt180 -76.27 -27.28 56.62 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 114.925 -1.034 . . . . 4.71 110.343 174.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . -90.54 51.37 3.31 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.789 -0.72 . . . . 2.2000000000000002 111.302 174.042 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 39.5 m 73.22 142.45 0.06 Allowed 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 123.553 0.741 . . . . 2.1699999999999999 111.129 -175.325 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 816' ' ' LYS . . . . . 0.565 ' HA ' ' HB3' ' A' ' 812' ' ' PHE . 13.7 mptt -76.61 59.65 1.55 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.294 0.568 . . . . 2.21 109.822 178.424 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 817' ' ' ARG . . . . . . . . . . . . . 81.7 mtp180 -145.79 -32.22 0.37 Allowed 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.465 -0.789 . . . . 3.73 109.11 -173.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 818' ' ' PHE . . . . . 0.564 ' HA ' ' HA ' ' A' ' 800' ' ' CYS . 62.6 m-85 -139.6 136.06 33.98 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 108.327 -0.99 . . . . 0.57999999999999996 108.327 177.778 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 819' ' ' CYS . . . . . 0.742 ' SG ' ' HB2' ' A' ' 800' ' ' CYS . 0.8 OUTLIER -73.23 102.1 3.55 Favored 'General case' 0 N--CA 1.445 -0.677 0 C-N-CA 119.742 -0.783 . . . . 1.3600000000000001 112.29 -170.113 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 5.3 t 87.1 -147.86 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 115.729 -0.668 . . . . 1.76 110.214 162.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 821' ' ' MET . . . . . . . . . . . . . 14.3 tpt -85.19 -61.41 1.78 Allowed 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 111.973 0.361 . . . . 2.6000000000000001 111.973 -172.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 822' ' ' THR . . . . . . . . . . . . . 25.9 m -45.5 -44.6 12.64 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 123.547 0.739 . . . . 1.3300000000000001 112.694 177.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 823' ' ' CYS . . . . . 0.545 ' HB3' ' HB3' ' A' ' 818' ' ' PHE . 60.4 m -70.71 -41.67 71.63 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 112.58 0.585 . . . . 0.62 112.58 179.712 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 824' ' ' ALA . . . . . . . . . . . . . . . -61.54 -42.98 99.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.352 0.596 . . . . 0.95999999999999996 110.019 175.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 14.1 tmtt? -61.76 -37.26 83.63 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.23 -0.896 . . . . 2.9900000000000002 110.691 176.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 17.1 tpt180 -64.87 -33.79 76.85 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.866 -0.606 . . . . 4.1799999999999997 111.288 -173.424 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 827' ' ' TYR . . . . . . . . . . . . . 31.6 t80 . . . . . 0 C--N 1.327 -0.403 0 CA-C-O 121.161 0.505 . . . . 1.5600000000000001 111.291 -178.193 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 796' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.234 0.25 0 CA-C-O 121.623 0.725 . . . . 1.6799999999999999 110.221 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 797' ' ' LEU . . . . . . . . . . . . . 6.7 mt -105.6 147.88 27.94 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.425 -0.807 . . . . 1.3200000000000001 110.087 -177.457 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 798' ' ' LEU . . . . . 0.539 HD23 ' C ' ' A' ' 798' ' ' LEU . 0.0 OUTLIER -147.61 176.36 10.14 Favored 'General case' 0 C--N 1.313 -1.009 0 N-CA-C 106.024 -1.843 . . . . 1.99 106.024 173.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 799' ' ' LYS . . . . . 0.479 ' N ' HD23 ' A' ' 798' ' ' LEU . 0.0 OUTLIER -134.78 136.32 42.49 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 117.337 -1.745 . . . . 2.3799999999999999 113.959 -171.42 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 800' ' ' CYS . . . . . 0.59 ' HB2' ' SG ' ' A' ' 819' ' ' CYS . 33.7 t -45.67 118.61 1.86 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 111.9 -2.409 . . . . 0.40999999999999998 112.753 179.297 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 801' ' ' GLU . . . . . 0.405 ' CD ' HH12 ' A' ' 817' ' ' ARG . 36.5 tt0 -61.11 -1.94 0.54 Allowed 'General case' 0 CA--C 1.542 0.673 0 N-CA-C 113.21 0.819 . . . . 2.4199999999999999 113.21 178.661 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 802' ' ' TYR . . . . . . . . . . . . . 19.9 t80 -103.09 -46.16 4.72 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 121.453 -0.779 . . . . 1.21 110.999 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 803' ' ' CYS . . . . . 0.447 ' SG ' ' HG3' ' A' ' 805' ' ' LYS . 8.0 p -115.27 -31.77 5.87 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 112.942 0.719 . . . . 0.51000000000000001 112.942 -178.784 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 96.19 27.07 10.4 Favored Glycine 0 N--CA 1.444 -0.778 0 C-N-CA 120.104 -1.046 . . . . 0.27000000000000002 112.817 177.217 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 805' ' ' LYS . . . . . 0.447 ' HG3' ' SG ' ' A' ' 803' ' ' CYS . 68.8 mttm -75.91 123.73 26.18 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 110.142 -0.318 . . . . 2.73 110.142 176.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 806' ' ' TYR . . . . . . . . . . . . . 70.8 m-85 -86.66 123.99 32.45 Favored 'General case' 0 CA--C 1.512 -0.51 0 N-CA-C 108.429 -0.952 . . . . 1.22 108.429 176.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 807' ' ' ALA . . . . . 0.57 ' HB2' ' HD2' ' A' ' 808' ' ' PRO . . . -157.19 163.11 26.1 Favored Pre-proline 0 C--N 1.315 -0.892 0 CA-C-N 115.61 -0.723 . . . . 1.0800000000000001 110.176 -173.049 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 808' ' ' PRO . . . . . 0.57 ' HD2' ' HB2' ' A' ' 807' ' ' ALA . 35.1 Cg_endo -65.75 132.05 29.42 Favored 'Trans proline' 0 N--CA 1.457 -0.672 0 C-N-CA 122.019 1.813 . . . . 0.95999999999999996 111.179 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 809' ' ' ALA . . . . . . . . . . . . . . . -43.91 -28.01 0.41 Allowed 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 114.917 -1.038 . . . . 1.0600000000000001 112.756 178.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -57.92 -36.43 72.46 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 115.538 -0.756 . . . . 2.8599999999999999 111.13 178.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -82.02 -27.46 33.06 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 116.033 -0.531 . . . . 1.48 109.953 -173.798 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 812' ' ' PHE . . . . . 0.492 ' O ' ' HD2' ' A' ' 816' ' ' LYS . 54.2 m-85 -68.93 57.23 0.09 Allowed 'General case' 0 C--O 1.232 0.147 0 CA-C-O 121.775 0.798 . . . . 0.68999999999999995 112.259 175.466 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 49.3 mtt180 -80.09 17.28 1.03 Allowed 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 114.87 -1.059 . . . . 4.71 110.771 176.29 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . -91.55 36.41 3.65 Favored Glycine 0 N--CA 1.442 -0.918 0 N-CA-C 109.459 -1.456 . . . . 2.2000000000000002 109.459 163.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 20.8 m 59.37 42.37 18.15 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 123.41 0.684 . . . . 2.1699999999999999 111.943 -177.087 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 816' ' ' LYS . . . . . 0.492 ' HD2' ' O ' ' A' ' 812' ' ' PHE . 0.9 OUTLIER 53.25 56.17 7.79 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 115.478 -0.783 . . . . 2.21 111.072 171.948 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 817' ' ' ARG . . . . . 0.405 HH12 ' CD ' ' A' ' 801' ' ' GLU . 15.3 mmm180 -143.53 -42.25 0.29 Allowed 'General case' 0 C--N 1.314 -0.968 0 N-CA-C 107.56 -1.274 . . . . 3.73 107.56 -179.742 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 818' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -134.51 161.41 35.13 Favored 'General case' 0 N--CA 1.435 -1.223 0 CA-C-N 114.155 -1.384 . . . . 0.57999999999999996 108.361 175.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 819' ' ' CYS . . . . . 0.59 ' SG ' ' HB2' ' A' ' 800' ' ' CYS . 0.6 OUTLIER -67.88 -158.62 0.02 OUTLIER 'General case' 0 C--N 1.314 -0.961 0 N-CA-C 108.641 -0.874 . . . . 1.3600000000000001 108.641 171.9 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 19.6 p -67.84 -151.81 0.01 OUTLIER 'General case' 0 CA--C 1.553 1.086 0 CA-C-N 118.642 0.655 . . . . 1.76 112.697 -161.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 821' ' ' MET . . . . . 0.477 ' HE1' ' HA ' ' A' ' 821' ' ' MET . 3.3 mmt -70.18 -48.84 55.45 Favored 'General case' 0 C--N 1.328 -0.329 0 O-C-N 121.085 -1.009 . . . . 2.6000000000000001 112.431 -159.665 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 822' ' ' THR . . . . . . . . . . . . . 8.8 m -45.61 -50.6 13.1 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 123.61 0.569 . . . . 1.3300000000000001 111.944 175.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 823' ' ' CYS . . . . . . . . . . . . . 85.3 m -71.81 -53.36 13.57 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 113.026 0.75 . . . . 0.62 113.026 -176.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 824' ' ' ALA . . . . . . . . . . . . . . . -56.61 -47.59 79.3 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-O 120.507 0.194 . . . . 0.95999999999999996 111.477 -179.164 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 13.6 ptmm? -64.19 -31.93 73.32 Favored 'General case' 0 CA--C 1.522 -0.124 0 CA-C-N 116.716 -0.22 . . . . 2.9900000000000002 111.12 -176.027 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 70.3 ttt180 -72.69 -23.12 60.83 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 121.277 0.56 . . . . 4.1799999999999997 110.343 -174.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 827' ' ' TYR . . . . . . . . . . . . . 70.3 t80 . . . . . 0 C--N 1.326 -0.443 0 CA-C-N 115.631 -0.713 . . . . 1.5600000000000001 109.296 175.755 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 796' ' ' ASN . . . . . . . . . . . . . 5.0 p30 . . . . . 0 CA--C 1.517 -0.306 0 N-CA-C 107.538 -1.282 . . . . 1.6799999999999999 107.538 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 797' ' ' LEU . . . . . . . . . . . . . 11.5 mt -94.8 148.69 22.03 Favored 'General case' 0 N--CA 1.441 -0.878 0 CA-C-O 121.843 0.83 . . . . 1.3200000000000001 111.502 -165.241 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 798' ' ' LEU . . . . . 0.652 HD11 ' N ' ' A' ' 799' ' ' LYS . 3.1 pp -147.32 179.9 7.32 Favored 'General case' 0 C--N 1.31 -1.118 0 N-CA-C 104.444 -2.428 . . . . 1.99 104.444 171.039 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 799' ' ' LYS . . . . . 0.652 ' N ' HD11 ' A' ' 798' ' ' LEU . 0.1 OUTLIER -144.17 141.12 29.75 Favored 'General case' 0 C--N 1.316 -0.881 0 C-N-CA 116.332 -2.147 . . . . 2.3799999999999999 115.08 -173.366 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 800' ' ' CYS . . . . . 0.56 ' HB2' ' SG ' ' A' ' 819' ' ' CYS . 47.3 t -46.02 103.05 0.03 OUTLIER 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 110.907 -2.86 . . . . 0.40999999999999998 112.41 175.036 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -69.72 21.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 113.439 0.903 . . . . 2.4199999999999999 113.439 -177.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 802' ' ' TYR . . . . . 0.431 ' H ' ' C ' ' A' ' 800' ' ' CYS . 85.8 t80 -108.14 -51.95 2.83 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.806 0.336 . . . . 1.21 110.157 169.75 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 803' ' ' CYS . . . . . 0.408 ' SG ' ' SG ' ' A' ' 800' ' ' CYS . 6.4 p -107.42 -24.32 11.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.671 -0.24 . . . . 0.51000000000000001 111.332 -177.575 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 92.36 17.27 46.83 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.653 -0.784 . . . . 0.27000000000000002 113.371 169.468 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 805' ' ' LYS . . . . . 0.445 ' O ' ' HB2' ' A' ' 799' ' ' LYS . 88.0 mttt -84.98 133.07 34.27 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.66 -0.416 . . . . 2.73 110.969 -178.705 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 806' ' ' TYR . . . . . . . . . . . . . 67.2 m-85 -88.82 136.11 33.18 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.621 -0.718 . . . . 1.22 110.201 -178.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 807' ' ' ALA . . . . . 0.621 ' HB3' ' HD2' ' A' ' 808' ' ' PRO . . . -160.84 167.11 14.18 Favored Pre-proline 0 C--N 1.321 -0.636 0 CA-C-N 114.901 -1.045 . . . . 1.0800000000000001 109.712 -174.327 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 808' ' ' PRO . . . . . 0.621 ' HD2' ' HB3' ' A' ' 807' ' ' ALA . 29.8 Cg_endo -64.25 129.82 25.26 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 121.969 1.779 . . . . 0.95999999999999996 111.427 178.496 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 809' ' ' ALA . . . . . . . . . . . . . . . -45.48 -27.07 0.66 Allowed 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 115.132 -0.94 . . . . 1.0600000000000001 112.575 179.341 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -63.6 -27.78 69.48 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 114.981 -1.009 . . . . 2.8599999999999999 111.826 -179.064 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -73.02 -29.11 62.77 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.028 0.442 . . . . 1.48 109.892 -177.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 812' ' ' PHE . . . . . 0.871 ' HB2' ' HD3' ' A' ' 816' ' ' LYS . 43.4 m-85 -73.24 66.3 0.89 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.573 -0.74 . . . . 0.68999999999999995 111.917 -177.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 24.1 mmt180 -77.81 -36.11 50.59 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.778 -0.647 . . . . 4.71 110.796 175.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 814' ' ' GLY . . . . . 0.434 ' O ' ' HB3' ' A' ' 815' ' ' SER . . . -84.25 56.72 5.04 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.725 -0.75 . . . . 2.2000000000000002 111.247 177.128 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 815' ' ' SER . . . . . 0.434 ' HB3' ' O ' ' A' ' 814' ' ' GLY . 33.6 t 76.49 141.9 0.07 Allowed 'General case' 0 CA--C 1.531 0.213 0 CA-C-O 121.528 0.68 . . . . 2.1699999999999999 110.467 -174.223 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 816' ' ' LYS . . . . . 0.871 ' HD3' ' HB2' ' A' ' 812' ' ' PHE . 4.9 tppt? -75.01 15.98 0.35 Allowed 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 115.266 -0.879 . . . . 2.21 111.602 -173.086 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 817' ' ' ARG . . . . . 0.436 ' O ' ' HA ' ' A' ' 800' ' ' CYS . 70.6 mtm180 -95.89 -30.09 13.84 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 123.178 0.591 . . . . 3.73 111.125 -178.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 818' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -136.57 140.03 42.6 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 110.351 -0.24 . . . . 0.57999999999999996 110.351 -170.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 819' ' ' CYS . . . . . 0.56 ' SG ' ' HB2' ' A' ' 800' ' ' CYS . 0.8 OUTLIER -72.5 100.01 2.63 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 120.803 -0.359 . . . . 1.3600000000000001 110.569 -175.098 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 8.6 t 82.5 -165.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.924 -1.139 . . . . 1.76 107.924 168.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 821' ' ' MET . . . . . 0.631 ' O ' ' HG2' ' A' ' 825' ' ' LYS . 2.5 mpt? -91.04 -40.76 11.45 Favored 'General case' 0 C--O 1.22 -0.489 0 CA-C-N 119.775 1.171 . . . . 2.6000000000000001 113.004 -177.711 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 822' ' ' THR . . . . . . . . . . . . . 25.7 m -47.09 -44.23 21.05 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 118.475 0.579 . . . . 1.3300000000000001 111.599 175.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 823' ' ' CYS . . . . . 0.453 ' HB2' ' O ' ' A' ' 819' ' ' CYS . 25.7 m -73.91 -40.1 63.39 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-O 120.854 0.359 . . . . 0.62 111.684 177.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 824' ' ' ALA . . . . . . . . . . . . . . . -58.46 -41.73 85.85 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.769 -0.651 . . . . 0.95999999999999996 111.526 178.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 825' ' ' LYS . . . . . 0.631 ' HG2' ' O ' ' A' ' 821' ' ' MET . 13.3 mmmm -63.2 -39.08 93.62 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-O 121.958 0.885 . . . . 2.9900000000000002 110.342 179.03 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 826' ' ' ARG . . . . . 0.749 ' HA ' ' HE ' ' A' ' 826' ' ' ARG . 0.3 OUTLIER -66.36 -21.47 66.24 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 114.018 -1.446 . . . . 4.1799999999999997 110.755 -172.012 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 827' ' ' TYR . . . . . . . . . . . . . 23.5 t80 . . . . . 0 C--N 1.327 -0.379 0 CA-C-N 115.613 -0.721 . . . . 1.5600000000000001 111.122 176.833 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 796' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 . . . . . 0 N--CA 1.468 0.464 0 CA-C-O 121.29 0.567 . . . . 1.6799999999999999 111.506 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 797' ' ' LEU . . . . . . . . . . . . . 18.8 mt -87.36 150.88 23.54 Favored 'General case' 0 N--CA 1.441 -0.88 0 CA-C-O 121.607 0.717 . . . . 1.3200000000000001 110.532 -171.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 798' ' ' LEU . . . . . 0.499 ' C ' HD21 ' A' ' 798' ' ' LEU . 0.0 OUTLIER -149.94 177.0 10.25 Favored 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 105.259 -2.126 . . . . 1.99 105.259 170.428 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 799' ' ' LYS . . . . . 0.592 ' HD3' ' CZ ' ' A' ' 806' ' ' TYR . 23.0 pttm -137.21 141.56 42.1 Favored 'General case' 0 C--N 1.317 -0.829 0 C-N-CA 117.161 -1.816 . . . . 2.3799999999999999 113.29 -174.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 800' ' ' CYS . . . . . 0.521 ' HA ' ' HA ' ' A' ' 818' ' ' PHE . 36.1 t -45.95 110.54 0.27 Allowed 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 111.488 -2.596 . . . . 0.40999999999999998 111.562 174.244 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 801' ' ' GLU . . . . . 0.51 ' HB3' ' CE1' ' A' ' 818' ' ' PHE . 21.1 tt0 -61.11 0.14 0.27 Allowed 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.061 0.544 . . . . 2.4199999999999999 112.412 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 802' ' ' TYR . . . . . 0.433 ' H ' ' C ' ' A' ' 800' ' ' CYS . 66.2 t80 -98.66 -48.38 4.99 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 121.831 -0.543 . . . . 1.21 110.025 -178.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 803' ' ' CYS . . . . . 0.44 ' SG ' ' SG ' ' A' ' 800' ' ' CYS . 4.9 p -116.28 -27.02 6.97 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 113.276 0.843 . . . . 0.51000000000000001 113.276 -178.766 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 804' ' ' GLY . . . . . 0.435 ' HA2' ' HD2' ' A' ' 799' ' ' LYS . . . 96.35 19.78 27.0 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 119.835 -1.174 . . . . 0.27000000000000002 113.171 175.025 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 805' ' ' LYS . . . . . 0.464 ' HZ2' ' HB3' ' A' ' 805' ' ' LYS . 2.2 mmmp? -78.09 127.18 31.92 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.795 0.298 . . . . 2.73 110.286 179.09 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 806' ' ' TYR . . . . . 0.592 ' CZ ' ' HD3' ' A' ' 799' ' ' LYS . 96.8 m-85 -87.82 133.43 33.89 Favored 'General case' 0 CA--C 1.515 -0.388 0 N-CA-C 109.361 -0.607 . . . . 1.22 109.361 178.747 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -157.51 157.39 30.0 Favored Pre-proline 0 C--N 1.318 -0.764 0 CA-C-N 115.59 -0.732 . . . . 1.0800000000000001 110.047 -173.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 808' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -62.65 128.93 24.72 Favored 'Trans proline' 0 N--CA 1.459 -0.539 0 C-N-CA 122.448 2.099 . . . . 0.95999999999999996 109.737 176.088 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 809' ' ' ALA . . . . . . . . . . . . . . . -41.68 -24.69 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 114.52 1.304 . . . . 1.0600000000000001 114.52 -176.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -62.34 -28.42 69.74 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 111.926 0.343 . . . . 2.8599999999999999 111.926 178.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.45 -1.4 57.01 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.865 0.84 . . . . 1.48 109.37 -173.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 812' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -96.53 67.61 2.44 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.137 -0.938 . . . . 0.68999999999999995 109.495 -177.087 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 10.5 mmm180 -74.45 138.11 43.05 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.242 -1.344 . . . . 4.71 110.432 178.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 99.18 -41.39 2.21 Favored Glycine 0 N--CA 1.443 -0.849 0 N-CA-C 111.195 -0.762 . . . . 2.2000000000000002 111.195 -179.552 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 26.5 t -175.49 137.04 0.36 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.432 -0.581 . . . . 2.1699999999999999 109.432 178.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 70.2 mmtt -76.08 55.04 0.9 Allowed 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 121.348 0.594 . . . . 2.21 109.453 177.355 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 817' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -147.52 -30.34 0.32 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.964 -1.016 . . . . 3.73 109.298 -172.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 818' ' ' PHE . . . . . 0.521 ' HA ' ' HA ' ' A' ' 800' ' ' CYS . 93.6 m-85 -134.13 149.0 51.05 Favored 'General case' 0 N--CA 1.436 -1.131 0 N-CA-C 107.63 -1.248 . . . . 0.57999999999999996 107.63 174.824 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 819' ' ' CYS . . . . . 0.465 ' SG ' ' HB2' ' A' ' 800' ' ' CYS . 1.4 p -68.7 -159.23 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 108.627 -0.879 . . . . 1.3600000000000001 108.627 173.62 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 15.5 p -62.64 -123.1 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 115.145 1.535 . . . . 1.76 115.145 -157.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 821' ' ' MET . . . . . 0.462 ' HA ' ' HE3' ' A' ' 821' ' ' MET . 4.0 mmt -84.25 -54.23 4.95 Favored 'General case' 0 C--N 1.321 -0.661 0 O-C-N 120.907 -1.12 . . . . 2.6000000000000001 111.604 -161.002 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 822' ' ' THR . . . . . . . . . . . . . 86.0 m -44.66 -55.98 4.78 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 123.878 0.736 . . . . 1.3300000000000001 111.78 177.299 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 823' ' ' CYS . . . . . . . . . . . . . 98.1 m -69.3 -53.98 16.97 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 113.632 0.975 . . . . 0.62 113.632 -172.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 824' ' ' ALA . . . . . . . . . . . . . . . -59.67 -43.61 93.92 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 120.96 -0.296 . . . . 0.95999999999999996 111.696 -177.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 825' ' ' LYS . . . . . 0.405 ' HG2' ' O ' ' A' ' 821' ' ' MET . 54.9 pttt -71.35 -35.81 71.28 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.833 -0.347 . . . . 2.9900000000000002 111.494 -178.273 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 1.9 tpm_? -73.5 -21.18 60.48 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.026 0.441 . . . . 4.1799999999999997 110.435 -173.081 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 827' ' ' TYR . . . . . . . . . . . . . 33.9 t80 . . . . . 0 C--N 1.324 -0.539 0 CA-C-N 116.271 -0.422 . . . . 1.5600000000000001 110.972 -178.787 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 796' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.233 0.23 0 N-CA-C 109.375 -0.602 . . . . 1.6799999999999999 109.375 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 797' ' ' LEU . . . . . . . . . . . . . 28.6 mt -93.08 144.66 25.05 Favored 'General case' 0 N--CA 1.44 -0.972 0 CA-C-O 121.18 0.514 . . . . 1.3200000000000001 110.716 -171.199 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 798' ' ' LEU . . . . . 0.483 HD12 ' N ' ' A' ' 799' ' ' LYS . 0.7 OUTLIER -143.0 176.47 9.06 Favored 'General case' 0 C--N 1.305 -1.362 0 N-CA-C 104.309 -2.478 . . . . 1.99 104.309 171.341 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 799' ' ' LYS . . . . . 0.483 ' N ' HD12 ' A' ' 798' ' ' LEU . 18.6 pttp -141.54 151.67 43.43 Favored 'General case' 0 N--CA 1.438 -1.065 0 C-N-CA 116.432 -2.107 . . . . 2.3799999999999999 113.891 -173.191 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 800' ' ' CYS . . . . . 0.559 ' C ' ' H ' ' A' ' 802' ' ' TYR . 52.6 t -51.64 100.83 0.03 OUTLIER 'General case' 0 N--CA 1.436 -1.158 0 CA-C-N 111.628 -2.533 . . . . 0.40999999999999998 110.365 172.471 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -65.43 23.79 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.392 0.516 . . . . 2.4199999999999999 112.392 178.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 802' ' ' TYR . . . . . 0.559 ' H ' ' C ' ' A' ' 800' ' ' CYS . 30.2 t80 -108.86 -85.11 0.54 Allowed 'General case' 0 N--CA 1.442 -0.83 0 N-CA-C 107.952 -1.129 . . . . 1.21 107.952 165.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 803' ' ' CYS . . . . . 0.438 ' SG ' ' SG ' ' A' ' 800' ' ' CYS . 3.8 p -65.25 -39.28 92.47 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 113.098 0.777 . . . . 0.51000000000000001 113.098 177.498 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 804' ' ' GLY . . . . . 0.437 ' CA ' ' HD2' ' A' ' 799' ' ' LYS . . . 97.49 26.62 9.82 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.219 -0.991 . . . . 0.27000000000000002 113.189 179.05 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 805' ' ' LYS . . . . . . . . . . . . . 30.0 mtpp -84.83 128.78 34.77 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.925 0.362 . . . . 2.73 110.198 178.377 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 806' ' ' TYR . . . . . 0.46 ' CZ ' ' HD3' ' A' ' 799' ' ' LYS . 83.3 m-85 -87.11 134.47 33.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.87 0.366 . . . . 1.22 110.126 -178.006 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -157.53 159.61 30.66 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 115.568 -0.742 . . . . 1.0800000000000001 109.754 -175.103 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 808' ' ' PRO . . . . . 0.483 ' HB2' ' HG2' ' A' ' 810' ' ' GLU . 37.3 Cg_exo -62.17 128.61 24.45 Favored 'Trans proline' 0 N--CA 1.462 -0.375 0 C-N-CA 122.12 1.88 . . . . 0.95999999999999996 111.629 178.453 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 809' ' ' ALA . . . . . . . . . . . . . . . -41.7 -27.1 0.09 Allowed 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 114.264 1.209 . . . . 1.0600000000000001 114.264 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 810' ' ' GLU . . . . . 0.483 ' HG2' ' HB2' ' A' ' 808' ' ' PRO . 1.3 pm0 -60.89 -24.93 66.35 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.297 0.481 . . . . 2.8599999999999999 112.297 179.219 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 811' ' ' GLN . . . . . 0.432 ' O ' ' HG2' ' A' ' 811' ' ' GLN . 5.4 tt0 -83.75 -5.17 59.13 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 121.464 0.649 . . . . 1.48 110.026 -177.633 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 812' ' ' PHE . . . . . 0.662 ' HB3' ' HA ' ' A' ' 816' ' ' LYS . 56.0 m-85 -96.59 48.08 1.07 Allowed 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.678 0.752 . . . . 0.68999999999999995 110.02 -171.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 65.3 mtp180 -81.65 -4.79 57.11 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.097 -0.956 . . . . 4.71 110.792 179.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 814' ' ' GLY . . . . . 0.451 ' O ' ' HB2' ' A' ' 815' ' ' SER . . . -96.65 48.37 1.66 Allowed Glycine 0 N--CA 1.446 -0.649 0 N-CA-C 109.959 -1.256 . . . . 2.2000000000000002 109.959 168.765 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 815' ' ' SER . . . . . 0.451 ' HB2' ' O ' ' A' ' 814' ' ' GLY . 74.8 m 71.14 141.71 0.05 Allowed 'General case' 0 C--O 1.234 0.253 0 CA-C-O 121.525 0.679 . . . . 2.1699999999999999 110.485 -169.379 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 816' ' ' LYS . . . . . 0.662 ' HA ' ' HB3' ' A' ' 812' ' ' PHE . 33.0 mmtp -75.39 58.95 1.02 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.639 -0.71 . . . . 2.21 110.086 -177.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 817' ' ' ARG . . . . . . . . . . . . . 29.3 mtm180 -140.86 -36.41 0.46 Allowed 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.08 -0.711 . . . . 3.73 109.08 -173.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 818' ' ' PHE . . . . . 0.536 ' HA ' ' HA ' ' A' ' 800' ' ' CYS . 77.5 m-85 -133.81 159.1 41.63 Favored 'General case' 0 N--CA 1.44 -0.929 0 N-CA-C 108.829 -0.804 . . . . 0.57999999999999996 108.829 -179.706 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 819' ' ' CYS . . . . . 0.55 ' SG ' ' HB2' ' A' ' 800' ' ' CYS . 0.5 OUTLIER -68.28 -161.17 0.03 OUTLIER 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 108.864 -0.791 . . . . 1.3600000000000001 108.864 171.797 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 22.8 t -67.8 -116.67 0.0 OUTLIER 'General case' 0 CA--C 1.547 0.865 0 N-CA-C 113.19 0.811 . . . . 1.76 113.19 -158.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 821' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -85.27 -61.54 1.74 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 120.54 -1.35 . . . . 2.6000000000000001 112.054 -166.818 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 822' ' ' THR . . . . . . . . . . . . . 10.0 m -45.93 -49.05 16.16 Favored 'General case' 0 C--N 1.32 -0.684 0 O-C-N 123.721 0.638 . . . . 1.3300000000000001 112.489 -179.037 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 823' ' ' CYS . . . . . . . . . . . . . 84.5 m -74.5 -44.75 49.91 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 114.23 1.196 . . . . 0.62 114.23 -175.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 824' ' ' ALA . . . . . 0.439 ' O ' ' HB3' ' A' ' 827' ' ' TYR . . . -60.57 -36.34 78.24 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 118.788 0.722 . . . . 0.95999999999999996 109.874 173.779 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 63.6 tttt -62.73 -39.27 93.56 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 115.748 -0.66 . . . . 2.9900000000000002 111.234 172.241 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 73.5 ttt180 -68.79 -24.22 64.38 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.232 -0.895 . . . . 4.1799999999999997 111.105 -175.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 827' ' ' TYR . . . . . 0.439 ' HB3' ' O ' ' A' ' 824' ' ' ALA . 14.3 t80 . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 115.37 -0.832 . . . . 1.5600000000000001 111.292 175.085 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 796' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.233 0.193 0 CA-C-O 121.576 0.703 . . . . 1.6799999999999999 110.071 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 797' ' ' LEU . . . . . . . . . . . . . 18.0 mt -93.16 148.28 22.15 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.505 -0.771 . . . . 1.3200000000000001 109.967 -177.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 798' ' ' LEU . . . . . 0.518 HD23 ' C ' ' A' ' 798' ' ' LEU . 0.0 OUTLIER -146.94 142.22 27.33 Favored 'General case' 0 C--N 1.311 -1.078 0 N-CA-C 107.138 -1.43 . . . . 1.99 107.138 173.558 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 799' ' ' LYS . . . . . 0.445 ' HD3' ' CZ ' ' A' ' 806' ' ' TYR . 22.1 pttm -100.26 135.61 41.43 Favored 'General case' 0 C--N 1.319 -0.741 0 C-N-CA 118.329 -1.348 . . . . 2.3799999999999999 113.372 -165.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 800' ' ' CYS . . . . . 0.527 ' SG ' ' SG ' ' A' ' 823' ' ' CYS . 1.8 t -47.38 112.03 0.49 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 112.816 -1.993 . . . . 0.40999999999999998 112.051 174.487 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -68.02 21.45 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 114.121 1.156 . . . . 2.4199999999999999 114.121 -177.351 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 802' ' ' TYR . . . . . . . . . . . . . 59.5 t80 -110.56 -41.2 4.39 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 121.633 -0.667 . . . . 1.21 109.795 169.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 803' ' ' CYS . . . . . 0.408 ' SG ' ' SG ' ' A' ' 800' ' ' CYS . 7.5 p -114.22 -33.22 5.73 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.41 0.522 . . . . 0.51000000000000001 112.41 -177.325 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 804' ' ' GLY . . . . . 0.404 ' C ' ' HB2' ' A' ' 799' ' ' LYS . . . 96.65 20.0 25.69 Favored Glycine 0 N--CA 1.444 -0.77 0 C-N-CA 120.383 -0.913 . . . . 0.27000000000000002 111.528 178.552 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 805' ' ' LYS . . . . . . . . . . . . . 9.8 ttmm -84.77 132.28 34.45 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.535 -0.543 . . . . 2.73 109.535 -176.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 806' ' ' TYR . . . . . 0.445 ' CZ ' ' HD3' ' A' ' 799' ' ' LYS . 38.4 m-85 -85.4 131.19 34.43 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.475 0.655 . . . . 1.22 110.319 -177.699 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -152.01 153.2 31.08 Favored Pre-proline 0 C--N 1.317 -0.821 0 CA-C-N 114.624 -1.171 . . . . 1.0800000000000001 109.637 -177.277 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 808' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_exo -64.53 129.48 23.88 Favored 'Trans proline' 0 N--CA 1.455 -0.782 0 C-N-CA 122.222 1.948 . . . . 0.95999999999999996 110.839 178.151 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 809' ' ' ALA . . . . . 0.427 ' HB2' ' CE ' ' A' ' 816' ' ' LYS . . . -41.08 -26.22 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 114.108 1.151 . . . . 1.0600000000000001 114.108 179.678 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -61.9 -25.34 67.51 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.819 0.674 . . . . 2.8599999999999999 112.819 179.295 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -83.05 -4.18 58.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.488 0.661 . . . . 1.48 109.98 -177.122 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 812' ' ' PHE . . . . . 0.593 ' HB3' ' HA ' ' A' ' 816' ' ' LYS . 18.9 m-85 -96.03 49.35 1.14 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.582 0.706 . . . . 0.68999999999999995 109.919 -171.466 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 6.2 mmp_? -80.0 139.47 36.97 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.061 -0.972 . . . . 4.71 108.819 175.251 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 96.5 -53.51 1.51 Allowed Glycine 0 N--CA 1.446 -0.653 0 N-CA-C 111.178 -0.769 . . . . 2.2000000000000002 111.178 -174.362 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 815' ' ' SER . . . . . 0.44 ' C ' ' H ' ' A' ' 817' ' ' ARG . 77.4 p -158.02 131.9 7.93 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.735 0.302 . . . . 2.1699999999999999 110.72 177.769 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 816' ' ' LYS . . . . . 0.593 ' HA ' ' HB3' ' A' ' 812' ' ' PHE . 7.4 tptm -77.45 13.68 1.17 Allowed 'General case' 0 CA--C 1.534 0.332 0 CA-C-O 121.238 0.542 . . . . 2.21 110.289 177.419 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 817' ' ' ARG . . . . . 0.44 ' H ' ' C ' ' A' ' 815' ' ' SER . 17.8 mtp180 -95.34 -37.12 11.11 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 123.81 0.844 . . . . 3.73 110.527 -175.347 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 818' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -129.7 165.1 22.54 Favored 'General case' 0 N--CA 1.436 -1.167 0 N-CA-C 109.407 -0.59 . . . . 0.57999999999999996 109.407 -176.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 819' ' ' CYS . . . . . . . . . . . . . 1.2 p -68.24 -157.95 0.02 OUTLIER 'General case' 0 C--N 1.31 -1.128 0 N-CA-C 108.413 -0.958 . . . . 1.3600000000000001 108.413 168.131 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 16.2 p -68.65 -125.86 0.0 OUTLIER 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 113.283 0.846 . . . . 1.76 113.283 -160.306 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 821' ' ' MET . . . . . 0.658 ' O ' ' HG2' ' A' ' 825' ' ' LYS . 0.3 OUTLIER -82.09 -58.86 2.78 Favored 'General case' 0 C--N 1.32 -0.692 0 O-C-N 120.566 -1.334 . . . . 2.6000000000000001 111.584 -167.164 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 822' ' ' THR . . . . . . . . . . . . . 32.3 m -45.46 -49.08 13.77 Favored 'General case' 0 C--N 1.322 -0.607 0 O-C-N 123.767 0.667 . . . . 1.3300000000000001 112.236 -177.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 823' ' ' CYS . . . . . 0.527 ' SG ' ' SG ' ' A' ' 800' ' ' CYS . 5.4 t -73.19 -45.96 53.33 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.453 -0.499 . . . . 0.62 112.18 -173.799 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 824' ' ' ALA . . . . . . . . . . . . . . . -57.64 -38.0 74.29 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 120.727 -0.389 . . . . 0.95999999999999996 110.135 175.311 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 825' ' ' LYS . . . . . 0.658 ' HG2' ' O ' ' A' ' 821' ' ' MET . 13.6 mmmm -64.78 -36.48 84.46 Favored 'General case' 0 C--N 1.341 0.214 0 CA-C-O 121.509 0.671 . . . . 2.9900000000000002 110.993 175.005 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 17.8 tpt180 -68.65 -24.52 64.55 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 114.805 -1.089 . . . . 4.1799999999999997 111.519 -174.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 827' ' ' TYR . . . . . . . . . . . . . 71.8 t80 . . . . . 0 C--N 1.33 -0.259 0 CA-C-O 121.217 0.532 . . . . 1.5600000000000001 110.526 175.962 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 796' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.457 -0.118 0 CA-C-O 121.998 0.904 . . . . 1.6799999999999999 111.654 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 797' ' ' LEU . . . . . . . . . . . . . 18.0 mt -102.93 141.11 36.28 Favored 'General case' 0 N--CA 1.438 -1.073 0 O-C-N 121.574 -0.704 . . . . 1.3200000000000001 109.289 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 798' ' ' LEU . . . . . 0.495 ' C ' HD21 ' A' ' 798' ' ' LEU . 0.0 OUTLIER -144.72 143.22 30.59 Favored 'General case' 0 C--N 1.312 -1.05 0 N-CA-C 107.044 -1.465 . . . . 1.99 107.044 174.677 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 799' ' ' LYS . . . . . 0.412 ' HD3' ' CZ ' ' A' ' 806' ' ' TYR . 23.2 pttm -96.07 135.37 37.95 Favored 'General case' 0 N--CA 1.446 -0.642 0 C-N-CA 118.137 -1.425 . . . . 2.3799999999999999 113.408 -166.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 800' ' ' CYS . . . . . 0.528 ' HB2' ' SG ' ' A' ' 819' ' ' CYS . 46.6 t -43.44 106.21 0.06 Allowed 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 111.965 -2.38 . . . . 0.40999999999999998 111.308 170.65 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -66.46 13.31 0.05 Allowed 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 112.727 0.64 . . . . 2.4199999999999999 112.727 -176.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 802' ' ' TYR . . . . . 0.563 ' HD1' ' HD1' ' A' ' 827' ' ' TYR . 68.7 t80 -103.76 -46.89 4.38 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.669 -0.493 . . . . 1.21 109.669 175.554 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 803' ' ' CYS . . . . . 0.453 ' SG ' ' SG ' ' A' ' 800' ' ' CYS . 6.7 p -115.92 -24.0 8.33 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 113.07 0.767 . . . . 0.51000000000000001 113.07 -179.073 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 94.52 15.89 45.06 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.093 -1.051 . . . . 0.27000000000000002 113.048 173.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 805' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -87.11 135.12 33.41 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 122.602 -0.352 . . . . 2.73 110.295 -179.272 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 806' ' ' TYR . . . . . 0.412 ' CZ ' ' HD3' ' A' ' 799' ' ' LYS . 84.8 m-85 -85.48 134.33 34.05 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.072 0.463 . . . . 1.22 110.655 -178.33 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 807' ' ' ALA . . . . . 0.422 ' HB1' ' HD2' ' A' ' 808' ' ' PRO . . . -154.93 158.01 32.05 Favored Pre-proline 0 C--N 1.321 -0.665 0 CA-C-N 114.992 -1.004 . . . . 1.0800000000000001 109.819 -178.24 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 808' ' ' PRO . . . . . 0.422 ' HD2' ' HB1' ' A' ' 807' ' ' ALA . 44.0 Cg_endo -68.28 130.29 20.94 Favored 'Trans proline' 0 N--CA 1.461 -0.413 0 C-N-CA 122.391 2.061 . . . . 0.95999999999999996 111.323 -178.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 809' ' ' ALA . . . . . . . . . . . . . . . -44.46 -28.88 0.62 Allowed 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 115.059 -0.973 . . . . 1.0600000000000001 113.566 -179.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 -57.25 -33.34 67.48 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 116.043 -0.526 . . . . 2.8599999999999999 111.329 178.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 20.7 tt0 -77.89 -26.8 49.36 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.946 -0.57 . . . . 1.48 110.215 -177.123 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 812' ' ' PHE . . . . . 0.6 ' HB3' ' HA ' ' A' ' 816' ' ' LYS . 24.0 m-85 -69.0 62.5 0.11 Allowed 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.913 0.708 . . . . 0.68999999999999995 112.913 178.4 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 813' ' ' ARG . . . . . 0.499 ' HB2' ' HE1' ' A' ' 821' ' ' MET . 6.3 mmp_? -78.4 140.1 38.73 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.399 -0.819 . . . . 4.71 109.443 172.163 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 95.24 -58.23 1.69 Allowed Glycine 0 N--CA 1.446 -0.69 0 N-CA-C 110.881 -0.888 . . . . 2.2000000000000002 110.881 -175.132 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 815' ' ' SER . . . . . 0.589 ' HB3' ' HE ' ' A' ' 817' ' ' ARG . 65.8 m -154.07 133.8 12.96 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.589 0.233 . . . . 2.1699999999999999 110.891 176.78 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 816' ' ' LYS . . . . . 0.6 ' HA ' ' HB3' ' A' ' 812' ' ' PHE . 0.0 OUTLIER -76.0 54.44 0.84 Allowed 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.346 -0.612 . . . . 2.21 109.346 172.781 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 817' ' ' ARG . . . . . 0.589 ' HE ' ' HB3' ' A' ' 815' ' ' SER . 70.8 mtm180 -142.94 -32.43 0.48 Allowed 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.276 -0.875 . . . . 3.73 109.564 -172.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 818' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -133.95 135.73 43.72 Favored 'General case' 0 CA--C 1.516 -0.351 0 N-CA-C 109.283 -0.636 . . . . 0.57999999999999996 109.283 -177.143 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 819' ' ' CYS . . . . . 0.528 ' SG ' ' HB2' ' A' ' 800' ' ' CYS . 1.8 p -74.7 102.57 4.67 Favored 'General case' 0 N--CA 1.438 -1.058 0 C-N-CA 119.738 -0.785 . . . . 1.3600000000000001 110.656 -174.611 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 52.7 p 84.92 -154.63 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.464 1.105 . . . . 1.76 110.164 161.294 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 821' ' ' MET . . . . . 0.499 ' HE1' ' HB2' ' A' ' 813' ' ' ARG . 0.1 OUTLIER -81.15 -56.3 4.18 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 111.916 0.339 . . . . 2.6000000000000001 111.916 -171.497 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 822' ' ' THR . . . . . . . . . . . . . 28.2 m -44.84 -53.98 6.9 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 112.989 0.737 . . . . 1.3300000000000001 112.989 178.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 823' ' ' CYS . . . . . . . . . . . . . 92.0 m -68.03 -46.89 69.91 Favored 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 113.071 0.767 . . . . 0.62 113.071 -174.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 824' ' ' ALA . . . . . . . . . . . . . . . -60.4 -42.56 96.21 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.445 0.641 . . . . 0.95999999999999996 110.231 178.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -62.7 -45.72 91.44 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 114.961 -1.018 . . . . 2.9900000000000002 111.289 177.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 43.9 ttp180 -77.03 -14.36 59.84 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 116.267 -0.424 . . . . 4.1799999999999997 111.899 -168.257 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 827' ' ' TYR . . . . . 0.563 ' HD1' ' HD1' ' A' ' 802' ' ' TYR . 36.1 t80 . . . . . 0 C--N 1.33 -0.242 0 CA-C-O 121.021 0.438 . . . . 1.5600000000000001 110.945 -178.316 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 796' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 CA-C-O 121.25 0.548 . . . . 1.6799999999999999 110.24 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 797' ' ' LEU . . . . . . . . . . . . . 36.9 mt -95.46 144.91 25.57 Favored 'General case' 0 N--CA 1.437 -1.098 0 CA-C-O 121.175 0.512 . . . . 1.3200000000000001 109.899 -176.615 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 798' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -146.52 177.86 8.73 Favored 'General case' 0 C--N 1.308 -1.226 0 N-CA-C 105.108 -2.182 . . . . 1.99 105.108 175.035 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 799' ' ' LYS . . . . . 0.49 ' HD2' ' O ' ' A' ' 804' ' ' GLY . 63.2 pttt -144.41 139.97 28.72 Favored 'General case' 0 N--CA 1.439 -1.012 0 C-N-CA 116.499 -2.081 . . . . 2.3799999999999999 114.213 -174.231 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 800' ' ' CYS . . . . . 0.608 ' HB2' ' SG ' ' A' ' 819' ' ' CYS . 6.4 t -36.57 111.99 0.17 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 111.176 -2.738 . . . . 0.40999999999999998 113.4 174.52 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -56.36 -6.45 0.28 Allowed 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 115.204 -0.907 . . . . 2.4199999999999999 112.803 172.694 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 802' ' ' TYR . . . . . . . . . . . . . 60.0 t80 -102.43 -48.59 4.12 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 121.383 -0.823 . . . . 1.21 111.266 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 803' ' ' CYS . . . . . 0.514 ' SG ' ' SG ' ' A' ' 800' ' ' CYS . 4.6 p -113.43 -26.98 8.08 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 112.988 0.736 . . . . 0.51000000000000001 112.988 -176.133 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 804' ' ' GLY . . . . . 0.49 ' O ' ' HD2' ' A' ' 799' ' ' LYS . . . 92.46 18.71 40.82 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 119.65 -1.262 . . . . 0.27000000000000002 112.612 172.847 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 805' ' ' LYS . . . . . . . . . . . . . 20.6 ttmt -81.15 134.89 35.71 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 120.662 0.267 . . . . 2.73 110.32 178.539 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 806' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -86.0 137.69 32.52 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.434 -0.803 . . . . 1.22 109.987 -179.578 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 807' ' ' ALA . . . . . 0.423 ' HB2' ' HD2' ' A' ' 808' ' ' PRO . . . -158.42 158.1 29.37 Favored Pre-proline 0 N--CA 1.441 -0.91 0 CA-C-N 115.067 -0.969 . . . . 1.0800000000000001 110.49 -177.322 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 808' ' ' PRO . . . . . 0.622 ' HB2' ' CD ' ' A' ' 810' ' ' GLU . 35.7 Cg_endo -65.0 128.07 19.9 Favored 'Trans proline' 0 N--CA 1.462 -0.374 0 C-N-CA 122.737 2.291 . . . . 0.95999999999999996 110.477 176.585 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 809' ' ' ALA . . . . . . . . . . . . . . . -43.7 -31.78 0.86 Allowed 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 114.327 1.232 . . . . 1.0600000000000001 114.327 -177.176 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 810' ' ' GLU . . . . . 0.622 ' CD ' ' HB2' ' A' ' 808' ' ' PRO . 7.5 pm0 -62.26 -24.61 67.37 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 120.966 0.412 . . . . 2.8599999999999999 111.622 -179.783 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -79.06 -30.01 43.79 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-O 121.085 0.469 . . . . 1.48 110.085 -179.052 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 812' ' ' PHE . . . . . 0.757 ' HB3' ' HA ' ' A' ' 816' ' ' LYS . 61.3 m-85 -70.06 67.65 0.29 Allowed 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.63 -0.714 . . . . 0.68999999999999995 112.503 179.109 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 30.1 mtm180 -75.36 -0.35 19.54 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.347 -0.842 . . . . 4.71 110.169 175.449 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . -94.73 46.82 2.09 Favored Glycine 0 N--CA 1.446 -0.64 0 N-CA-C 111.342 -0.703 . . . . 2.2000000000000002 111.342 172.578 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 8.5 m 58.89 32.27 22.08 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 123.038 0.535 . . . . 2.1699999999999999 112.267 177.303 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 816' ' ' LYS . . . . . 0.757 ' HA ' ' HB3' ' A' ' 812' ' ' PHE . 95.6 mttt 54.46 49.14 18.99 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 121.613 0.72 . . . . 2.21 111.725 170.157 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 817' ' ' ARG . . . . . . . . . . . . . 34.2 mmt180 -140.02 -34.67 0.54 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.827 -1.079 . . . . 3.73 108.346 178.069 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 818' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -133.05 136.33 45.89 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.399 -0.819 . . . . 0.57999999999999996 108.911 175.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 819' ' ' CYS . . . . . 0.608 ' SG ' ' HB2' ' A' ' 800' ' ' CYS . 1.6 p -75.14 104.28 5.65 Favored 'General case' 0 N--CA 1.441 -0.88 0 C-N-CA 120.606 -0.438 . . . . 1.3600000000000001 111.453 -173.292 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 22.9 t 87.41 -154.9 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 122.906 0.482 . . . . 1.76 110.129 162.093 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 821' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -84.54 -62.54 1.53 Allowed 'General case' 0 N--CA 1.466 0.368 0 O-C-N 122.203 -0.311 . . . . 2.6000000000000001 111.749 -174.433 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 822' ' ' THR . . . . . 0.554 ' O ' ' HB2' ' A' ' 826' ' ' ARG . 1.4 m -44.89 -44.14 9.41 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 123.988 0.915 . . . . 1.3300000000000001 112.913 178.823 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 823' ' ' CYS . . . . . 0.516 ' HB2' ' O ' ' A' ' 819' ' ' CYS . 97.3 m -74.67 -42.96 57.51 Favored 'General case' 0 C--N 1.313 -1.016 0 N-CA-C 112.806 0.669 . . . . 0.62 112.806 -178.821 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 824' ' ' ALA . . . . . . . . . . . . . . . -61.03 -44.54 97.25 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 121.119 -0.232 . . . . 0.95999999999999996 111.144 178.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 825' ' ' LYS . . . . . 0.493 ' HG3' ' O ' ' A' ' 822' ' ' THR . 0.0 OUTLIER -66.2 -31.4 72.21 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 121.813 0.816 . . . . 2.9900000000000002 110.063 179.611 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 826' ' ' ARG . . . . . 0.554 ' HB2' ' O ' ' A' ' 822' ' ' THR . 62.8 ttt180 -68.75 -22.68 64.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 114.388 -1.278 . . . . 4.1799999999999997 111.377 -174.384 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 827' ' ' TYR . . . . . . . . . . . . . 13.1 t80 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 115.502 -0.772 . . . . 1.5600000000000001 112.203 179.646 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 796' ' ' ASN . . . . . . . . . . . . . 6.4 p30 . . . . . 0 C--O 1.234 0.242 0 CA-C-O 121.213 0.53 . . . . 1.6799999999999999 109.699 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 797' ' ' LEU . . . . . . . . . . . . . 16.0 mt -90.03 149.13 22.66 Favored 'General case' 0 N--CA 1.444 -0.767 0 CA-C-O 121.448 0.642 . . . . 1.3200000000000001 111.024 -168.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 798' ' ' LEU . . . . . 0.465 ' C ' HD22 ' A' ' 798' ' ' LEU . 0.0 OUTLIER -148.53 165.52 30.97 Favored 'General case' 0 C--N 1.31 -1.14 0 N-CA-C 105.398 -2.075 . . . . 1.99 105.398 171.293 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 799' ' ' LYS . . . . . 0.655 ' HD3' ' CZ ' ' A' ' 806' ' ' TYR . 63.2 pttt -123.23 139.04 54.46 Favored 'General case' 0 C--N 1.32 -0.674 0 C-N-CA 117.188 -1.805 . . . . 2.3799999999999999 113.619 -167.686 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 800' ' ' CYS . . . . . 0.48 ' SG ' ' SG ' ' A' ' 803' ' ' CYS . 17.4 t -47.14 103.82 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 112.01 -2.359 . . . . 0.40999999999999998 111.203 172.716 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -67.4 19.92 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 113.404 0.89 . . . . 2.4199999999999999 113.404 -176.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 802' ' ' TYR . . . . . 0.455 ' H ' ' C ' ' A' ' 800' ' ' CYS . 42.4 t80 -106.95 -41.0 5.31 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.738 -0.467 . . . . 1.21 109.738 172.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 803' ' ' CYS . . . . . 0.48 ' SG ' ' SG ' ' A' ' 800' ' ' CYS . 5.4 p -116.37 -33.96 4.77 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 115.907 -0.588 . . . . 0.51000000000000001 112.361 179.717 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 99.96 22.09 12.71 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.407 -0.901 . . . . 0.27000000000000002 113.176 176.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 805' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp -82.98 129.44 35.03 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 117.349 0.574 . . . . 2.73 110.863 -179.18 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 806' ' ' TYR . . . . . 0.655 ' CZ ' ' HD3' ' A' ' 799' ' ' LYS . 98.4 m-85 -87.04 126.63 34.87 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.451 -0.574 . . . . 1.22 109.451 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 807' ' ' ALA . . . . . 0.487 ' HB1' ' HD2' ' A' ' 808' ' ' PRO . . . -153.32 161.27 29.55 Favored Pre-proline 0 C--N 1.318 -0.792 0 CA-C-N 115.39 -0.823 . . . . 1.0800000000000001 109.613 -174.708 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 808' ' ' PRO . . . . . 0.667 ' HB2' ' HG2' ' A' ' 810' ' ' GLU . 35.8 Cg_endo -67.91 129.23 19.23 Favored 'Trans proline' 0 N--CA 1.458 -0.559 0 C-N-CA 121.976 1.784 . . . . 0.95999999999999996 111.131 -178.072 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 809' ' ' ALA . . . . . . . . . . . . . . . -44.07 -26.5 0.3 Allowed 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 113.783 1.031 . . . . 1.0600000000000001 113.783 -178.541 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 810' ' ' GLU . . . . . 0.667 ' HG2' ' HB2' ' A' ' 808' ' ' PRO . 11.0 pt-20 -60.38 -26.74 66.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.953 0.406 . . . . 2.8599999999999999 111.654 179.739 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -82.14 -28.73 32.0 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.157 -0.474 . . . . 1.48 109.883 -176.088 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 812' ' ' PHE . . . . . 0.689 ' HB3' ' HA ' ' A' ' 816' ' ' LYS . 12.2 m-85 -68.89 63.43 0.12 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.249 -0.887 . . . . 0.68999999999999995 111.87 176.715 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 75.4 mtt180 -78.0 137.94 38.56 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 114.387 -1.278 . . . . 4.71 110.696 177.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 96.92 -66.7 0.92 Allowed Glycine 0 N--CA 1.442 -0.944 0 N-CA-C 110.436 -1.066 . . . . 2.2000000000000002 110.436 -170.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 70.5 m -150.18 135.28 17.86 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 110.681 -0.118 . . . . 2.1699999999999999 110.681 177.367 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 816' ' ' LYS . . . . . 0.689 ' HA ' ' HB3' ' A' ' 812' ' ' PHE . 1.0 OUTLIER -75.62 67.66 2.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.564 0.697 . . . . 2.21 109.911 174.799 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 817' ' ' ARG . . . . . . . . . . . . . 82.9 mtp180 -145.07 -34.8 0.34 Allowed 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.061 -0.972 . . . . 3.73 108.91 -175.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 818' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -135.65 155.41 50.47 Favored 'General case' 0 N--CA 1.442 -0.845 0 N-CA-C 108.431 -0.952 . . . . 0.57999999999999996 108.431 178.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 819' ' ' CYS . . . . . 0.475 ' SG ' ' SG ' ' A' ' 800' ' ' CYS . 0.8 OUTLIER -68.57 -159.48 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.033 -0.729 . . . . 1.3600000000000001 109.033 172.929 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 33.2 p -64.66 -116.94 0.0 OUTLIER 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 114.258 1.207 . . . . 1.76 114.258 -157.145 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 821' ' ' MET . . . . . 0.419 ' HE1' ' HA ' ' A' ' 821' ' ' MET . 1.6 mmt -85.76 -62.0 1.63 Allowed 'General case' 0 C--N 1.321 -0.632 0 O-C-N 120.931 -1.106 . . . . 2.6000000000000001 111.635 -165.552 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 822' ' ' THR . . . . . 0.472 ' O ' ' HB2' ' A' ' 826' ' ' ARG . 3.7 m -45.77 -50.48 13.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 123.764 0.665 . . . . 1.3300000000000001 112.568 -179.232 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 823' ' ' CYS . . . . . . . . . . . . . 57.3 m -71.11 -49.81 40.31 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 113.767 1.025 . . . . 0.62 113.767 -176.072 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 824' ' ' ALA . . . . . . . . . . . . . . . -60.26 -44.51 95.22 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 120.4 -0.52 . . . . 0.95999999999999996 110.768 178.4 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 825' ' ' LYS . . . . . 0.454 ' HE3' ' HB2' ' A' ' 825' ' ' LYS . 0.0 OUTLIER -67.52 -26.14 66.19 Favored 'General case' 0 C--O 1.227 -0.095 0 C-N-CA 120.851 -0.339 . . . . 2.9900000000000002 110.873 178.739 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 826' ' ' ARG . . . . . 0.472 ' HB2' ' O ' ' A' ' 822' ' ' THR . 24.8 tpp180 -66.64 -31.71 72.57 Favored 'General case' 0 CA--C 1.521 -0.166 0 CA-C-O 121.235 0.54 . . . . 4.1799999999999997 110.514 -176.859 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 827' ' ' TYR . . . . . . . . . . . . . 29.8 t80 . . . . . 0 C--N 1.325 -0.476 0 CA-C-N 115.578 -0.737 . . . . 1.5600000000000001 109.855 179.829 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 796' ' ' ASN . . . . . 0.521 ' N ' HD21 ' A' ' 796' ' ' ASN . 0.0 OUTLIER . . . . . 0 CA--C 1.514 -0.413 0 N-CA-C 108.135 -1.061 . . . . 1.6799999999999999 108.135 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 797' ' ' LEU . . . . . . . . . . . . . 11.1 mt -104.76 144.57 31.56 Favored 'General case' 0 N--CA 1.435 -1.213 0 CA-C-O 121.699 0.761 . . . . 1.3200000000000001 111.076 -169.284 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 798' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -145.29 -177.02 5.34 Favored 'General case' 0 C--N 1.304 -1.371 0 N-CA-C 104.786 -2.301 . . . . 1.99 104.786 174.052 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 799' ' ' LYS . . . . . 0.967 ' HD3' ' HA2' ' A' ' 804' ' ' GLY . 0.0 OUTLIER -145.86 141.55 27.97 Favored 'General case' 0 N--CA 1.437 -1.097 0 C-N-CA 116.175 -2.21 . . . . 2.3799999999999999 115.435 -175.556 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 800' ' ' CYS . . . . . 0.525 ' SG ' ' SG ' ' A' ' 803' ' ' CYS . 28.0 t -45.39 104.69 0.05 OUTLIER 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 110.608 -2.996 . . . . 0.40999999999999998 111.67 175.002 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 42.6 mm-40 -64.29 12.38 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 114.035 1.124 . . . . 2.4199999999999999 114.035 -178.329 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 802' ' ' TYR . . . . . 0.448 ' H ' ' C ' ' A' ' 800' ' ' CYS . 35.5 t80 -104.58 -41.89 5.58 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 109.822 -0.436 . . . . 1.21 109.822 175.436 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 803' ' ' CYS . . . . . 0.525 ' SG ' ' SG ' ' A' ' 800' ' ' CYS . 5.3 p -118.52 -24.84 6.65 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 113.258 0.836 . . . . 0.51000000000000001 113.258 -179.796 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 804' ' ' GLY . . . . . 0.967 ' HA2' ' HD3' ' A' ' 799' ' ' LYS . . . 93.44 17.85 40.87 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 119.862 -1.161 . . . . 0.27000000000000002 112.917 175.315 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 805' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -82.38 126.75 32.54 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.747 0.308 . . . . 2.73 110.669 -178.362 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 806' ' ' TYR . . . . . 0.403 ' CZ ' ' HG2' ' A' ' 799' ' ' LYS . 64.5 m-85 -89.21 132.13 35.01 Favored 'General case' 0 CA--C 1.513 -0.469 0 CA-C-N 115.616 -0.72 . . . . 1.22 110.151 -174.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 807' ' ' ALA . . . . . 0.645 ' HB1' ' HD2' ' A' ' 808' ' ' PRO . . . -160.63 168.3 12.06 Favored Pre-proline 0 C--N 1.317 -0.843 0 CA-C-N 114.917 -1.038 . . . . 1.0800000000000001 110.118 -174.179 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 808' ' ' PRO . . . . . 0.645 ' HD2' ' HB1' ' A' ' 807' ' ' ALA . 32.4 Cg_endo -70.05 132.04 22.06 Favored 'Trans proline' 0 N--CA 1.455 -0.778 0 C-N-CA 121.654 1.57 . . . . 0.95999999999999996 111.211 -179.114 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 809' ' ' ALA . . . . . 0.41 ' O ' ' HB2' ' A' ' 812' ' ' PHE . . . -41.84 -27.84 0.13 Allowed 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 114.785 -1.098 . . . . 1.0600000000000001 113.886 178.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 26.6 tp10 -60.67 -37.56 81.98 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 112.849 0.685 . . . . 2.8599999999999999 112.849 -178.258 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 811' ' ' GLN . . . . . 0.524 ' C ' ' H ' ' A' ' 813' ' ' ARG . 6.4 pt20 -76.81 -21.39 55.16 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 109.486 -0.561 . . . . 1.48 109.486 -175.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 812' ' ' PHE . . . . . 0.592 ' HB3' ' HA ' ' A' ' 816' ' ' LYS . 7.7 m-85 -70.72 32.57 0.04 OUTLIER 'General case' 0 C--O 1.222 -0.35 0 CA-C-N 115.54 -0.755 . . . . 0.68999999999999995 112.246 173.853 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 813' ' ' ARG . . . . . 0.524 ' H ' ' C ' ' A' ' 811' ' ' GLN . 7.5 ptm180 -78.21 158.18 29.08 Favored 'General case' 0 C--N 1.309 -1.155 0 N-CA-C 109.013 -0.736 . . . . 4.71 109.013 178.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 88.45 -30.62 5.19 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.555 -0.831 . . . . 2.2000000000000002 112.722 -173.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 9.7 t -145.03 -44.65 0.23 Allowed 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 113.062 0.764 . . . . 2.1699999999999999 113.062 -175.205 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 816' ' ' LYS . . . . . 0.592 ' HA ' ' HB3' ' A' ' 812' ' ' PHE . 24.1 ttmm 53.06 55.33 9.05 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 123.143 1.449 . . . . 2.21 108.937 -169.756 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 817' ' ' ARG . . . . . . . . . . . . . 71.8 mtp180 -155.13 -37.19 0.09 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 112.139 -2.3 . . . . 3.73 108.128 -177.295 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 818' ' ' PHE . . . . . 0.416 ' CE1' ' HB2' ' A' ' 802' ' ' TYR . 79.7 m-85 -133.12 170.19 15.77 Favored 'General case' 0 N--CA 1.441 -0.909 0 CA-C-N 115.004 -0.998 . . . . 0.57999999999999996 108.803 176.529 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 819' ' ' CYS . . . . . 0.524 ' SG ' ' SG ' ' A' ' 800' ' ' CYS . 0.9 OUTLIER -68.87 -158.2 0.02 OUTLIER 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 108.124 -1.065 . . . . 1.3600000000000001 108.124 166.069 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 73.9 p -69.79 -134.71 0.0 OUTLIER 'General case' 0 CA--C 1.55 0.953 0 N-CA-C 113.363 0.875 . . . . 1.76 113.363 -161.361 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 821' ' ' MET . . . . . 0.469 ' HA ' ' HE3' ' A' ' 821' ' ' MET . 32.4 mmt -75.96 -58.26 3.39 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 121.218 -0.926 . . . . 2.6000000000000001 112.432 -161.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 822' ' ' THR . . . . . . . . . . . . . 25.8 m -45.61 -49.77 13.88 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.639 0.607 . . . . 1.3300000000000001 112.639 -179.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 823' ' ' CYS . . . . . . . . . . . . . 87.5 m -71.24 -52.26 20.02 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 113.167 0.803 . . . . 0.62 113.167 -177.254 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 824' ' ' ALA . . . . . . . . . . . . . . . -57.66 -49.07 77.69 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-O 120.525 0.202 . . . . 0.95999999999999996 111.261 -179.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -64.07 -31.46 72.66 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-O 121.014 0.435 . . . . 2.9900000000000002 111.021 -177.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 47.6 ttt180 -71.8 -24.83 61.79 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.244 -0.434 . . . . 4.1799999999999997 111.069 -173.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 827' ' ' TYR . . . . . . . . . . . . . 82.2 t80 . . . . . 0 CA--C 1.535 0.387 0 CA-C-O 121.198 0.523 . . . . 1.5600000000000001 111.379 -179.074 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 796' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.235 0.329 0 CA-C-O 121.609 0.718 . . . . 1.6799999999999999 109.81 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 797' ' ' LEU . . . . . . . . . . . . . 20.3 mt -97.21 146.9 24.65 Favored 'General case' 0 N--CA 1.443 -0.825 0 CA-C-N 115.49 -0.777 . . . . 1.3200000000000001 110.869 -175.545 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 798' ' ' LEU . . . . . 0.513 HD23 ' C ' ' A' ' 798' ' ' LEU . 0.0 OUTLIER -146.28 179.7 7.33 Favored 'General case' 0 C--N 1.31 -1.142 0 N-CA-C 105.444 -2.058 . . . . 1.99 105.444 171.856 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 799' ' ' LYS . . . . . 0.403 ' N ' HD23 ' A' ' 798' ' ' LEU . 0.0 OUTLIER -142.03 142.82 32.91 Favored 'General case' 0 C--N 1.316 -0.885 0 C-N-CA 117.406 -1.718 . . . . 2.3799999999999999 113.291 -175.92 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 800' ' ' CYS . . . . . 0.512 ' HB2' ' SG ' ' A' ' 819' ' ' CYS . 42.6 t -46.85 114.46 0.84 Allowed 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 111.702 -2.499 . . . . 0.40999999999999998 112.237 177.53 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -61.82 3.76 0.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 113.196 0.813 . . . . 2.4199999999999999 113.196 178.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 802' ' ' TYR . . . . . 0.425 ' H ' ' C ' ' A' ' 800' ' ' CYS . 24.4 t80 -103.92 -49.09 3.72 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 121.981 -0.449 . . . . 1.21 110.331 178.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 5.5 p -113.74 -29.12 7.21 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.757 0.651 . . . . 0.51000000000000001 112.757 -178.097 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 94.74 22.25 24.11 Favored Glycine 0 C--N 1.321 -0.283 0 C-N-CA 120.178 -1.01 . . . . 0.27000000000000002 112.79 175.197 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 805' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -77.6 125.35 29.2 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 110.172 -0.307 . . . . 2.73 110.172 178.299 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 806' ' ' TYR . . . . . . . . . . . . . 70.7 m-85 -87.47 130.79 34.56 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.183 -0.673 . . . . 1.22 109.183 -177.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 807' ' ' ALA . . . . . 0.506 ' HB1' ' CE1' ' A' ' 812' ' ' PHE . . . -158.36 161.2 29.02 Favored Pre-proline 0 C--N 1.317 -0.833 0 CA-C-N 115.624 -0.717 . . . . 1.0800000000000001 110.185 -173.557 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 808' ' ' PRO . . . . . 0.479 ' HD2' ' HB3' ' A' ' 807' ' ' ALA . 19.2 Cg_endo -61.24 133.94 49.44 Favored 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 122.341 2.028 . . . . 0.95999999999999996 110.964 176.577 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 809' ' ' ALA . . . . . 0.418 ' HA ' HD11 ' A' ' 798' ' ' LEU . . . -44.03 -38.03 3.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.143 -0.935 . . . . 1.0600000000000001 111.791 177.661 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -63.19 -27.85 69.65 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 114.722 -1.126 . . . . 2.8599999999999999 111.492 -178.223 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.25 -28.63 42.41 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.775 -0.648 . . . . 1.48 109.789 -177.003 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 812' ' ' PHE . . . . . 0.567 ' CB ' ' HA ' ' A' ' 816' ' ' LYS . 75.4 m-85 -71.81 71.45 0.76 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.839 -0.619 . . . . 0.68999999999999995 111.596 176.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 29.8 mtp180 -70.91 -5.05 27.8 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.649 -0.705 . . . . 4.71 109.816 174.355 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . -88.99 48.73 3.5 Favored Glycine 0 N--CA 1.447 -0.626 0 N-CA-C 111.374 -0.69 . . . . 2.2000000000000002 111.374 172.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 815' ' ' SER . . . . . 0.405 ' CB ' HH21 ' A' ' 817' ' ' ARG . 9.0 t 56.24 42.13 28.39 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-O 121.352 0.596 . . . . 2.1699999999999999 111.529 177.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 816' ' ' LYS . . . . . 0.567 ' HA ' ' CB ' ' A' ' 812' ' ' PHE . 31.7 mmtp 55.58 35.51 25.33 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 114.806 -1.088 . . . . 2.21 111.874 164.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 817' ' ' ARG . . . . . 0.405 HH21 ' CB ' ' A' ' 815' ' ' SER . 63.9 mtm180 -144.01 -28.77 0.51 Allowed 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.791 -0.64 . . . . 3.73 110.01 -175.278 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 818' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -136.72 136.06 38.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.229 0.538 . . . . 0.57999999999999996 110.009 177.044 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 819' ' ' CYS . . . . . 0.55 ' O ' ' HB2' ' A' ' 823' ' ' CYS . 1.2 p -76.43 106.79 8.27 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.226 -0.897 . . . . 1.3600000000000001 111.465 -172.558 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 820' ' ' SER . . . . . 0.428 ' HB3' ' O ' ' A' ' 819' ' ' CYS . 30.8 t 89.83 -163.89 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 109.647 -0.501 . . . . 1.76 109.647 164.08 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 821' ' ' MET . . . . . 0.664 ' O ' ' HG2' ' A' ' 825' ' ' LYS . 31.5 mmt -83.07 -59.05 2.6 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.649 0.261 . . . . 2.6000000000000001 110.456 -176.438 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 822' ' ' THR . . . . . . . . . . . . . 14.1 m -43.78 -47.17 7.97 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 123.812 0.845 . . . . 1.3300000000000001 112.938 178.17 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 823' ' ' CYS . . . . . 0.55 ' HB2' ' O ' ' A' ' 819' ' ' CYS . 91.0 m -71.11 -47.78 56.09 Favored 'General case' 0 C--N 1.314 -0.955 0 N-CA-C 111.984 0.364 . . . . 0.62 111.984 -176.494 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 824' ' ' ALA . . . . . . . . . . . . . . . -61.42 -41.74 97.65 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-O 120.891 0.377 . . . . 0.95999999999999996 110.346 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 825' ' ' LYS . . . . . 0.664 ' HG2' ' O ' ' A' ' 821' ' ' MET . 14.1 mmmm -66.94 -30.26 70.34 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-N 116.127 -0.488 . . . . 2.9900000000000002 111.851 179.561 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 66.9 ttt180 -72.43 -24.62 61.25 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.456 0.646 . . . . 4.1799999999999997 110.019 -176.531 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 827' ' ' TYR . . . . . . . . . . . . . 69.6 t80 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 115.288 -0.869 . . . . 1.5600000000000001 109.34 174.803 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 796' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.233 0.205 0 CA-C-O 121.451 0.643 . . . . 1.6799999999999999 109.512 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 797' ' ' LEU . . . . . . . . . . . . . 43.7 mt -100.8 151.67 21.42 Favored 'General case' 0 N--CA 1.439 -1.003 0 CA-C-O 121.687 0.756 . . . . 1.3200000000000001 110.625 -173.308 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 798' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -149.95 -178.5 6.51 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 104.685 -2.339 . . . . 1.99 104.685 173.218 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 799' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.06 142.57 27.57 Favored 'General case' 0 C--N 1.314 -0.969 0 C-N-CA 116.655 -2.018 . . . . 2.3799999999999999 114.334 -174.503 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 800' ' ' CYS . . . . . 0.571 ' HB2' ' SG ' ' A' ' 819' ' ' CYS . 5.5 t -40.6 107.43 0.07 Allowed 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 111.54 -2.573 . . . . 0.40999999999999998 112.732 176.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -61.33 0.53 0.27 Allowed 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 123.319 0.648 . . . . 2.4199999999999999 112.344 176.077 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 802' ' ' TYR . . . . . 0.436 ' H ' ' C ' ' A' ' 800' ' ' CYS . 62.9 t80 -103.0 -48.41 4.06 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 122.063 -0.398 . . . . 1.21 110.605 178.578 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 803' ' ' CYS . . . . . 0.512 ' SG ' ' SG ' ' A' ' 800' ' ' CYS . 7.7 p -115.47 -29.88 6.39 Favored 'General case' 0 N--CA 1.466 0.325 0 N-CA-C 112.68 0.622 . . . . 0.51000000000000001 112.68 -178.478 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 97.99 21.54 17.95 Favored Glycine 0 C--N 1.322 -0.232 0 C-N-CA 120.658 -0.782 . . . . 0.27000000000000002 113.759 172.196 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 805' ' ' LYS . . . . . 0.412 ' HA ' ' HD2' ' A' ' 805' ' ' LYS . 11.3 mmmm -81.76 131.35 35.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 117.439 0.619 . . . . 2.73 110.265 179.81 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 806' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -84.5 131.18 34.67 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.015 -0.539 . . . . 1.22 109.683 -177.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -162.36 165.31 15.78 Favored Pre-proline 0 N--CA 1.445 -0.707 0 CA-C-N 115.38 -0.827 . . . . 1.0800000000000001 110.204 -171.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 808' ' ' PRO . . . . . 0.539 ' HD2' ' OE1' ' A' ' 811' ' ' GLN . 14.7 Cg_exo -71.3 135.34 26.64 Favored 'Trans proline' 0 CA--C 1.517 -0.348 0 C-N-CA 122.683 2.255 . . . . 0.95999999999999996 111.549 -177.206 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 809' ' ' ALA . . . . . . . . . . . . . . . -45.02 -23.8 0.18 Allowed 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 115.447 -0.797 . . . . 1.0600000000000001 113.073 176.303 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -57.05 -53.43 58.22 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 114.026 1.121 . . . . 2.8599999999999999 114.026 -177.516 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 811' ' ' GLN . . . . . 0.539 ' OE1' ' HD2' ' A' ' 808' ' ' PRO . 4.1 pm0 -87.17 23.88 1.71 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 118.682 0.673 . . . . 1.48 110.7 -177.535 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 812' ' ' PHE . . . . . 0.42 ' HB3' ' HD3' ' A' ' 816' ' ' LYS . 8.4 m-85 -96.13 53.98 1.41 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.962 0.887 . . . . 0.68999999999999995 108.704 172.033 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 813' ' ' ARG . . . . . 0.406 HH11 ' HD2' ' A' ' 813' ' ' ARG . 50.2 mtm180 -73.59 147.05 44.23 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.044 -1.435 . . . . 4.71 111.476 179.417 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 83.14 -68.8 3.49 Favored Glycine 0 N--CA 1.448 -0.525 0 CA-C-N 115.8 -0.636 . . . . 2.2000000000000002 111.598 179.514 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 20.6 m -125.15 115.31 20.25 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 109.864 -0.421 . . . . 2.1699999999999999 109.864 178.572 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 816' ' ' LYS . . . . . 0.42 ' HD3' ' HB3' ' A' ' 812' ' ' PHE . 3.1 tppp? -75.78 56.11 0.92 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 122.064 0.935 . . . . 2.21 108.84 176.639 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 817' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -142.28 -33.56 0.48 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 114.351 -1.295 . . . . 3.73 109.683 -171.447 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 818' ' ' PHE . . . . . 0.551 ' HA ' ' HA ' ' A' ' 800' ' ' CYS . 21.1 m-85 -134.06 146.14 50.04 Favored 'General case' 0 CA--C 1.515 -0.38 0 N-CA-C 109.208 -0.664 . . . . 0.57999999999999996 109.208 -172.076 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 819' ' ' CYS . . . . . 0.571 ' SG ' ' HB2' ' A' ' 800' ' ' CYS . 1.6 p -74.77 101.43 4.33 Favored 'General case' 0 N--CA 1.441 -0.88 0 C-N-CA 119.572 -0.851 . . . . 1.3600000000000001 110.93 -177.801 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 20.9 t 88.11 -155.26 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.35 0.66 . . . . 1.76 110.393 161.568 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 821' ' ' MET . . . . . 0.617 ' O ' ' HG2' ' A' ' 825' ' ' LYS . 3.1 mmt -84.21 -59.69 2.32 Favored 'General case' 0 C--O 1.223 -0.306 0 N-CA-C 112.56 0.578 . . . . 2.6000000000000001 112.56 -172.296 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 822' ' ' THR . . . . . . . . . . . . . 13.5 m -44.88 -41.96 7.58 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 123.252 0.621 . . . . 1.3300000000000001 112.394 178.437 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 823' ' ' CYS . . . . . . . . . . . . . 97.1 m -72.63 -41.61 65.33 Favored 'General case' 0 C--N 1.315 -0.908 0 N-CA-C 112.216 0.45 . . . . 0.62 112.216 -179.306 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 824' ' ' ALA . . . . . . . . . . . . . . . -59.03 -44.7 91.78 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.136 0.493 . . . . 0.95999999999999996 109.74 174.004 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 825' ' ' LYS . . . . . 0.617 ' HG2' ' O ' ' A' ' 821' ' ' MET . 31.7 mmmt -62.24 -44.62 96.15 Favored 'General case' 0 N--CA 1.456 -0.126 0 CA-C-O 121.811 0.815 . . . . 2.9900000000000002 111.273 178.703 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 22.8 tpt180 -66.45 -21.99 66.2 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-N 114.33 -1.305 . . . . 4.1799999999999997 110.92 -171.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 827' ' ' TYR . . . . . . . . . . . . . 21.5 t80 . . . . . 0 N--CA 1.452 -0.329 0 CA-C-N 115.456 -0.793 . . . . 1.5600000000000001 111.178 178.778 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 796' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.45 -0.463 0 CA-C-O 121.296 0.569 . . . . 1.6799999999999999 109.661 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 797' ' ' LEU . . . . . . . . . . . . . 21.9 mt -97.54 144.95 26.72 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 115.73 -0.668 . . . . 1.3200000000000001 110.466 -176.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 798' ' ' LEU . . . . . 0.521 HD23 ' C ' ' A' ' 798' ' ' LEU . 0.0 OUTLIER -145.64 149.3 34.23 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 106.985 -1.487 . . . . 1.99 106.985 173.358 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 799' ' ' LYS . . . . . 0.43 ' H ' ' HD3' ' A' ' 799' ' ' LYS . 0.0 OUTLIER -109.46 135.52 50.36 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 117.489 -1.684 . . . . 2.3799999999999999 113.878 -167.216 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 800' ' ' CYS . . . . . 0.686 ' HB2' ' SG ' ' A' ' 819' ' ' CYS . 43.9 t -39.07 109.45 0.11 Allowed 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 112.006 -2.361 . . . . 0.40999999999999998 112.227 171.808 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -62.62 6.0 0.1 Allowed 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 113.609 0.966 . . . . 2.4199999999999999 113.609 178.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 802' ' ' TYR . . . . . . . . . . . . . 26.7 t80 -105.84 -42.08 5.24 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.291 -0.563 . . . . 1.21 110.451 177.123 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 803' ' ' CYS . . . . . 0.428 ' SG ' ' SG ' ' A' ' 800' ' ' CYS . 9.5 p -116.59 -31.4 5.54 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 112.933 0.716 . . . . 0.51000000000000001 112.933 -179.582 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 97.22 22.17 17.98 Favored Glycine 0 C--N 1.32 -0.336 0 C-N-CA 120.103 -1.046 . . . . 0.27000000000000002 113.126 177.581 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 805' ' ' LYS . . . . . . . . . . . . . 32.7 mmtp -81.83 128.88 34.47 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.914 0.357 . . . . 2.73 110.27 178.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 806' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -88.24 128.37 35.47 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.534 -0.543 . . . . 1.22 109.534 179.241 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -155.39 157.78 31.76 Favored Pre-proline 0 C--N 1.316 -0.849 0 CA-C-N 115.074 -0.967 . . . . 1.0800000000000001 109.666 -176.161 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 808' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_exo -62.15 127.49 21.32 Favored 'Trans proline' 0 N--CA 1.456 -0.729 0 C-N-CA 122.175 1.917 . . . . 0.95999999999999996 111.265 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 809' ' ' ALA . . . . . . . . . . . . . . . -43.1 -28.43 0.28 Allowed 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 114.035 1.124 . . . . 1.0600000000000001 114.035 -178.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -59.84 -29.66 68.42 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 120.925 0.393 . . . . 2.8599999999999999 111.864 -179.001 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -76.3 -26.14 55.55 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.222 0.534 . . . . 1.48 110.001 -175.263 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 812' ' ' PHE . . . . . 0.554 ' HB3' ' HA ' ' A' ' 816' ' ' LYS . 14.0 m-85 -70.44 69.06 0.38 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.496 -0.774 . . . . 0.68999999999999995 111.613 176.615 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 39.7 mmt180 -70.83 -40.26 72.51 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.412 -0.813 . . . . 4.71 109.89 175.41 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . -83.27 62.04 4.68 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.862 -0.685 . . . . 2.2000000000000002 111.496 175.04 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 25.7 m 70.42 143.86 0.05 Allowed 'General case' 0 C--O 1.236 0.344 0 CA-C-O 121.415 0.626 . . . . 2.1699999999999999 111.138 -177.341 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 816' ' ' LYS . . . . . 0.554 ' HA ' ' HB3' ' A' ' 812' ' ' PHE . 35.1 mmtp -75.28 56.33 0.82 Allowed 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.703 -0.681 . . . . 2.21 109.961 -179.545 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 817' ' ' ARG . . . . . 0.427 HH11 ' HD3' ' A' ' 817' ' ' ARG . 51.8 mtm-85 -143.76 -29.94 0.5 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.705 -0.679 . . . . 3.73 110.071 -175.119 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 818' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -137.63 112.42 8.92 Favored 'General case' 0 C--N 1.334 -0.093 0 CA-C-O 120.918 0.39 . . . . 0.57999999999999996 110.592 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 819' ' ' CYS . . . . . 0.686 ' SG ' ' HB2' ' A' ' 800' ' ' CYS . 1.8 p -50.2 107.75 0.18 Allowed 'General case' 0 C--O 1.221 -0.405 0 N-CA-C 114.267 1.21 . . . . 1.3600000000000001 114.267 178.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 24.8 p 89.07 -161.07 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.273 1.029 . . . . 1.76 110.505 160.348 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 821' ' ' MET . . . . . 0.523 ' HA ' ' HE3' ' A' ' 821' ' ' MET . 14.7 mmt -85.55 -54.63 4.44 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 122.098 -0.376 . . . . 2.6000000000000001 110.822 -179.317 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 822' ' ' THR . . . . . 0.431 ' O ' ' HB2' ' A' ' 826' ' ' ARG . 51.8 m -45.5 -49.13 13.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.322 -0.854 . . . . 1.3300000000000001 112.835 177.707 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 823' ' ' CYS . . . . . 0.645 ' HB2' ' O ' ' A' ' 819' ' ' CYS . 93.1 m -73.28 -42.74 62.09 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 112.24 0.459 . . . . 0.62 112.24 -176.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 824' ' ' ALA . . . . . . . . . . . . . . . -61.93 -42.76 99.47 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.666 -0.414 . . . . 0.95999999999999996 110.845 179.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -69.41 -28.85 66.51 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-O 121.466 0.651 . . . . 2.9900000000000002 110.485 178.223 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 826' ' ' ARG . . . . . 0.431 ' HB2' ' O ' ' A' ' 822' ' ' THR . 8.6 tpt180 -68.12 -24.3 65.0 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 114.726 -1.124 . . . . 4.1799999999999997 111.405 -175.864 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 827' ' ' TYR . . . . . . . . . . . . . 38.7 t80 . . . . . 0 C--N 1.333 -0.14 0 CA-C-O 121.473 0.654 . . . . 1.5600000000000001 110.911 -179.639 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 796' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.235 0.304 0 CA-C-O 121.526 0.679 . . . . 1.6799999999999999 110.091 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 797' ' ' LEU . . . . . . . . . . . . . 21.4 mt -92.75 149.65 21.16 Favored 'General case' 0 N--CA 1.44 -0.954 0 CA-C-N 115.74 -0.663 . . . . 1.3200000000000001 111.069 -176.363 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 798' ' ' LEU . . . . . 0.532 HD23 ' C ' ' A' ' 798' ' ' LEU . 0.0 OUTLIER -145.98 157.91 43.87 Favored 'General case' 0 C--N 1.311 -1.094 0 N-CA-C 105.453 -2.054 . . . . 1.99 105.453 166.365 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 799' ' ' LYS . . . . . 0.653 ' HD3' ' CZ ' ' A' ' 806' ' ' TYR . 62.4 pttt -116.29 139.65 50.16 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 116.896 -1.922 . . . . 2.3799999999999999 114.318 -164.817 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 800' ' ' CYS . . . . . 0.67 ' HB2' ' SG ' ' A' ' 819' ' ' CYS . 19.1 t -46.83 103.87 0.04 OUTLIER 'General case' 0 N--CA 1.444 -0.758 0 CA-C-N 111.688 -2.506 . . . . 0.40999999999999998 111.656 171.75 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -65.58 18.12 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 113.61 0.967 . . . . 2.4199999999999999 113.61 -176.683 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 802' ' ' TYR . . . . . 0.457 ' H ' ' C ' ' A' ' 800' ' ' CYS . 46.8 t80 -107.78 -45.63 3.97 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.957 0.408 . . . . 1.21 109.952 172.643 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 803' ' ' CYS . . . . . 0.524 ' SG ' ' SG ' ' A' ' 800' ' ' CYS . 10.9 p -113.63 -24.02 9.44 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.173 -0.467 . . . . 0.51000000000000001 111.89 -177.054 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 89.12 19.36 50.8 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.365 -0.922 . . . . 0.27000000000000002 112.475 173.54 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 805' ' ' LYS . . . . . . . . . . . . . 33.1 mmtm -86.3 133.44 33.81 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.827 -0.434 . . . . 2.73 109.827 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 806' ' ' TYR . . . . . 0.653 ' CZ ' ' HD3' ' A' ' 799' ' ' LYS . 98.1 m-85 -84.88 129.22 34.84 Favored 'General case' 0 CA--C 1.513 -0.48 0 CA-C-O 121.254 0.55 . . . . 1.22 109.634 -177.216 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -147.83 155.34 44.5 Favored Pre-proline 0 C--N 1.315 -0.9 0 CA-C-N 114.957 -1.019 . . . . 1.0800000000000001 109.547 -174.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 808' ' ' PRO . . . . . 0.447 ' O ' ' HG3' ' A' ' 811' ' ' GLN . 11.7 Cg_exo -68.93 132.72 25.31 Favored 'Trans proline' 0 N--CA 1.458 -0.616 0 C-N-CA 122.292 1.994 . . . . 0.95999999999999996 111.461 -176.076 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 809' ' ' ALA . . . . . . . . . . . . . . . -42.34 -28.97 0.23 Allowed 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 115.023 -0.989 . . . . 1.0600000000000001 113.357 179.31 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 810' ' ' GLU . . . . . 0.409 ' O ' ' HG3' ' A' ' 813' ' ' ARG . 0.2 OUTLIER -52.33 -47.75 65.86 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 112.523 0.564 . . . . 2.8599999999999999 112.523 178.821 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 811' ' ' GLN . . . . . 0.447 ' HG3' ' O ' ' A' ' 808' ' ' PRO . 0.5 OUTLIER -86.52 15.75 5.23 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 112.063 0.394 . . . . 1.48 112.063 -175.515 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 812' ' ' PHE . . . . . 0.665 ' HB3' ' HD3' ' A' ' 816' ' ' LYS . 36.0 m-85 -100.12 33.33 2.66 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.298 0.57 . . . . 0.68999999999999995 110.704 178.119 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 813' ' ' ARG . . . . . 0.409 ' HG3' ' O ' ' A' ' 810' ' ' GLU . 45.5 mtt180 -82.8 152.51 25.64 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.816 -0.629 . . . . 4.71 110.257 179.394 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 94.56 -54.39 2.02 Favored Glycine 0 N--CA 1.443 -0.838 0 N-CA-C 110.808 -0.917 . . . . 2.2000000000000002 110.808 -169.199 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 65.1 m -158.52 121.3 3.74 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 122.532 0.333 . . . . 2.1699999999999999 110.207 176.478 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 816' ' ' LYS . . . . . 0.665 ' HD3' ' HB3' ' A' ' 812' ' ' PHE . 33.1 mmtp -76.55 63.33 2.05 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 121.132 0.491 . . . . 2.21 110.023 178.334 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 817' ' ' ARG . . . . . . . . . . . . . 15.8 mtt180 -151.26 -32.16 0.16 Allowed 'General case' 0 C--N 1.318 -0.779 0 C-N-CA 123.651 0.78 . . . . 3.73 110.107 -173.199 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 818' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -134.5 163.1 30.46 Favored 'General case' 0 N--CA 1.442 -0.864 0 N-CA-C 109.479 -0.563 . . . . 0.57999999999999996 109.479 -178.283 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 819' ' ' CYS . . . . . 0.67 ' SG ' ' HB2' ' A' ' 800' ' ' CYS . 0.0 OUTLIER -66.22 -161.04 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.767 -0.827 . . . . 1.3600000000000001 108.767 168.58 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 21.3 m -69.38 -119.42 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 112.906 0.706 . . . . 1.76 112.906 -162.271 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 821' ' ' MET . . . . . 0.436 ' O ' ' HB3' ' A' ' 825' ' ' LYS . 42.7 mmm -81.49 -54.71 5.21 Favored 'General case' 0 CA--C 1.506 -0.731 0 O-C-N 120.97 -1.081 . . . . 2.6000000000000001 111.37 -170.599 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 822' ' ' THR . . . . . . . . . . . . . 1.6 m -45.95 -54.49 8.2 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 123.775 0.672 . . . . 1.3300000000000001 112.088 -178.344 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 823' ' ' CYS . . . . . . . . . . . . . 58.0 m -72.64 -44.98 61.19 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 113.064 0.764 . . . . 0.62 113.064 -174.224 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 824' ' ' ALA . . . . . . . . . . . . . . . -60.89 -41.23 95.62 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.575 -0.45 . . . . 0.95999999999999996 110.553 176.484 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 825' ' ' LYS . . . . . 0.436 ' HB3' ' O ' ' A' ' 821' ' ' MET . 57.4 tttt -62.53 -38.56 90.46 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-O 121.635 0.731 . . . . 2.9900000000000002 111.308 174.234 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 826' ' ' ARG . . . . . 0.448 ' HG3' ' CE2' ' A' ' 802' ' ' TYR . 17.4 tpp180 -68.41 -27.95 66.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 114.663 -1.153 . . . . 4.1799999999999997 111.266 -175.228 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 827' ' ' TYR . . . . . . . . . . . . . 37.5 t80 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.057 -0.52 . . . . 1.5600000000000001 111.481 -179.522 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 796' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.234 0.257 0 CA-C-O 121.783 0.801 . . . . 1.6799999999999999 109.591 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 797' ' ' LEU . . . . . . . . . . . . . 22.4 mt -94.89 152.58 18.25 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-O 121.816 0.817 . . . . 1.3200000000000001 111.724 -171.041 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 798' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -147.93 179.36 7.79 Favored 'General case' 0 C--N 1.312 -1.063 0 N-CA-C 104.699 -2.334 . . . . 1.99 104.699 169.507 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 799' ' ' LYS . . . . . 0.433 ' HB2' ' O ' ' A' ' 805' ' ' LYS . 0.0 OUTLIER -147.28 146.18 29.65 Favored 'General case' 0 N--CA 1.442 -0.833 0 C-N-CA 116.22 -2.192 . . . . 2.3799999999999999 115.226 -172.782 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 800' ' ' CYS . . . . . 0.547 ' HB2' ' SG ' ' A' ' 819' ' ' CYS . 6.9 t -41.85 104.21 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 111.319 -2.673 . . . . 0.40999999999999998 112.779 175.244 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -61.91 7.52 0.05 Allowed 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 113.171 0.804 . . . . 2.4199999999999999 113.171 174.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 802' ' ' TYR . . . . . 0.445 ' H ' ' C ' ' A' ' 800' ' ' CYS . 18.3 t80 -105.58 -46.85 4.07 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 122.078 -0.389 . . . . 1.21 110.118 177.158 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 803' ' ' CYS . . . . . 0.494 ' SG ' ' SG ' ' A' ' 800' ' ' CYS . 5.5 p -117.39 -27.08 6.49 Favored 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 112.964 0.728 . . . . 0.51000000000000001 112.964 -177.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 96.52 23.53 16.06 Favored Glycine 0 CA--C 1.517 0.213 0 C-N-CA 120.469 -0.872 . . . . 0.27000000000000002 113.41 173.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 805' ' ' LYS . . . . . 0.433 ' O ' ' HB2' ' A' ' 799' ' ' LYS . 0.0 OUTLIER -82.27 124.44 29.95 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.832 0.316 . . . . 2.73 110.453 178.687 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 806' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -87.54 129.06 35.22 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-O 121.1 0.476 . . . . 1.22 109.881 -178.322 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -158.48 165.66 18.09 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-N 115.047 -0.978 . . . . 1.0800000000000001 110.237 -172.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 808' ' ' PRO . . . . . . . . . . . . . 15.2 Cg_exo -68.28 130.0 20.35 Favored 'Trans proline' 0 N--CA 1.459 -0.527 0 C-N-CA 122.145 1.897 . . . . 0.95999999999999996 111.674 -178.358 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 809' ' ' ALA . . . . . . . . . . . . . . . -43.01 -27.94 0.23 Allowed 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 114.88 -1.055 . . . . 1.0600000000000001 113.509 178.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -57.41 -38.83 74.94 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.915 0.709 . . . . 2.8599999999999999 112.915 -176.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -74.48 -20.75 59.88 Favored 'General case' 0 C--O 1.234 0.273 0 C-N-CA 121.225 -0.19 . . . . 1.48 111.212 -176.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 812' ' ' PHE . . . . . 0.576 ' HB3' ' HA ' ' A' ' 816' ' ' LYS . 11.5 m-85 -70.54 60.83 0.22 Allowed 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 112.713 0.634 . . . . 0.68999999999999995 112.713 179.046 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 14.3 mmm180 -73.7 -22.19 60.0 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.492 -0.776 . . . . 4.71 110.878 173.585 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . -97.84 58.73 1.06 Allowed Glycine 0 N--CA 1.444 -0.807 0 N-CA-C 110.793 -0.923 . . . . 2.2000000000000002 110.793 175.53 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 28.7 t 73.99 138.09 0.06 Allowed 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.502 0.668 . . . . 2.1699999999999999 110.458 -175.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 816' ' ' LYS . . . . . 0.576 ' HA ' ' HB3' ' A' ' 812' ' ' PHE . 30.8 mmtp -76.5 56.83 1.14 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.572 -0.74 . . . . 2.21 109.633 179.669 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 817' ' ' ARG . . . . . . . . . . . . . 68.9 mtm180 -147.71 -29.47 0.33 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.95 -1.023 . . . . 3.73 109.945 -174.398 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 818' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -132.62 132.83 42.9 Favored 'General case' 0 CA--C 1.516 -0.337 0 N-CA-C 109.678 -0.49 . . . . 0.57999999999999996 109.678 -179.096 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 819' ' ' CYS . . . . . 0.547 ' SG ' ' HB2' ' A' ' 800' ' ' CYS . 2.6 p -74.97 104.85 5.72 Favored 'General case' 0 N--CA 1.439 -0.984 0 C-N-CA 120.525 -0.47 . . . . 1.3600000000000001 111.0 -173.079 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 27.6 p 87.51 -154.74 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.199 0.999 . . . . 1.76 110.248 161.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 821' ' ' MET . . . . . 0.458 ' HA ' ' HE2' ' A' ' 821' ' ' MET . 31.3 mmt -85.29 -59.72 2.24 Favored 'General case' 0 C--N 1.328 -0.346 0 O-C-N 122.229 -0.295 . . . . 2.6000000000000001 111.34 -172.413 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 822' ' ' THR . . . . . . . . . . . . . 25.9 m -44.97 -50.28 10.69 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 123.494 0.718 . . . . 1.3300000000000001 112.822 177.546 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 823' ' ' CYS . . . . . 0.517 ' HB2' ' O ' ' A' ' 819' ' ' CYS . 72.9 m -69.77 -43.42 72.22 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 112.779 0.659 . . . . 0.62 112.779 -176.689 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 824' ' ' ALA . . . . . . . . . . . . . . . -62.03 -43.83 98.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.098 0.475 . . . . 0.95999999999999996 110.246 177.137 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 825' ' ' LYS . . . . . 0.405 ' HE2' ' HB3' ' A' ' 825' ' ' LYS . 50.6 mtpt -65.05 -30.25 71.21 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-N 115.788 -0.642 . . . . 2.9900000000000002 111.162 177.124 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 22.2 tpt180 -65.18 -28.17 69.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.303 0.573 . . . . 4.1799999999999997 110.008 -177.172 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 827' ' ' TYR . . . . . . . . . . . . . 46.3 t80 . . . . . 0 C--N 1.327 -0.39 0 CA-C-N 115.538 -0.756 . . . . 1.5600000000000001 110.116 177.055 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 796' ' ' ASN . . . . . 0.468 ' N ' HD21 ' A' ' 796' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.464 0.242 0 CA-C-O 121.655 0.74 . . . . 1.6799999999999999 111.422 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 797' ' ' LEU . . . . . . . . . . . . . 16.8 mt -104.9 147.7 27.48 Favored 'General case' 0 N--CA 1.445 -0.678 0 O-C-N 121.763 -0.586 . . . . 1.3200000000000001 110.011 -178.006 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 798' ' ' LEU . . . . . 0.546 HD21 ' N ' ' A' ' 799' ' ' LYS . 0.0 OUTLIER -151.07 173.26 14.56 Favored 'General case' 0 C--N 1.312 -1.065 0 N-CA-C 105.84 -1.911 . . . . 1.99 105.84 172.518 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 799' ' ' LYS . . . . . 0.546 ' N ' HD21 ' A' ' 798' ' ' LEU . 0.0 OUTLIER -131.0 144.73 51.7 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 116.896 -1.921 . . . . 2.3799999999999999 114.503 -168.041 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 800' ' ' CYS . . . . . 0.498 ' C ' ' H ' ' A' ' 802' ' ' TYR . 43.7 t -47.3 112.2 0.5 Allowed 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 111.451 -2.613 . . . . 0.40999999999999998 111.595 177.289 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -62.31 13.9 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 113.089 0.774 . . . . 2.4199999999999999 113.089 176.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 802' ' ' TYR . . . . . 0.498 ' H ' ' C ' ' A' ' 800' ' ' CYS . 30.6 t80 -108.43 -88.72 0.48 Allowed 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.664 -0.865 . . . . 1.21 108.664 169.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 803' ' ' CYS . . . . . 0.416 ' SG ' ' SG ' ' A' ' 800' ' ' CYS . 7.6 p -62.89 -42.98 99.97 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 113.124 0.787 . . . . 0.51000000000000001 113.124 176.329 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 95.52 23.78 17.93 Favored Glycine 0 C--N 1.315 -0.628 0 C-N-CA 120.072 -1.061 . . . . 0.27000000000000002 112.872 176.547 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 805' ' ' LYS . . . . . . . . . . . . . 23.6 ttpt -83.61 140.51 32.16 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.679 0.276 . . . . 2.73 110.462 177.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 806' ' ' TYR . . . . . 0.542 ' CZ ' ' HD2' ' A' ' 799' ' ' LYS . 29.7 m-85 -83.88 135.06 34.64 Favored 'General case' 0 CA--C 1.515 -0.379 0 CA-C-N 115.718 -0.674 . . . . 1.22 110.85 -176.847 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -157.68 155.3 26.73 Favored Pre-proline 0 C--N 1.317 -0.817 0 CA-C-N 115.057 -0.974 . . . . 1.0800000000000001 110.328 -175.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 808' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_exo -62.67 128.12 22.52 Favored 'Trans proline' 0 N--CA 1.458 -0.597 0 C-N-CA 122.285 1.99 . . . . 0.95999999999999996 111.022 177.12 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 809' ' ' ALA . . . . . . . . . . . . . . . -44.02 -23.98 0.12 Allowed 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 113.84 1.052 . . . . 1.0600000000000001 113.84 179.664 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.44 -34.22 68.74 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 122.961 0.504 . . . . 2.8599999999999999 110.683 178.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -78.68 -25.16 44.78 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 116.133 -0.485 . . . . 1.48 110.789 -174.203 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 812' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -68.64 58.54 0.09 Allowed 'General case' 0 CA--C 1.531 0.239 0 CA-C-O 121.76 0.79 . . . . 0.68999999999999995 111.699 175.385 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 68.1 mtt180 -82.41 144.48 30.46 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 114.537 -1.211 . . . . 4.71 110.087 177.742 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 91.49 -48.67 2.87 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.876 -0.678 . . . . 2.2000000000000002 111.791 -176.403 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 12.1 p -160.74 126.11 3.82 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.712 0.291 . . . . 2.1699999999999999 110.847 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -78.4 57.93 2.04 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 121.542 0.687 . . . . 2.21 110.045 179.456 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 817' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -136.23 -34.85 0.77 Allowed 'General case' 0 C--N 1.319 -0.76 0 C-N-CA 124.001 0.92 . . . . 3.73 109.167 -175.499 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 818' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -136.44 164.26 28.58 Favored 'General case' 0 N--CA 1.442 -0.863 0 N-CA-C 108.377 -0.971 . . . . 0.57999999999999996 108.377 -176.207 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 819' ' ' CYS . . . . . 0.492 ' SG ' ' SG ' ' A' ' 800' ' ' CYS . 1.3 p -67.21 -158.82 0.02 OUTLIER 'General case' 0 C--N 1.31 -1.121 0 N-CA-C 108.488 -0.93 . . . . 1.3600000000000001 108.488 168.664 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 48.4 p -67.26 -120.49 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 113.985 1.106 . . . . 1.76 113.985 -158.188 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 821' ' ' MET . . . . . 0.548 ' O ' ' HG2' ' A' ' 825' ' ' LYS . 32.5 mmt -83.67 -64.58 1.14 Allowed 'General case' 0 C--N 1.319 -0.726 0 O-C-N 120.95 -1.093 . . . . 2.6000000000000001 111.836 -163.052 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 822' ' ' THR . . . . . . . . . . . . . 18.2 m -45.55 -46.09 13.88 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 112.847 0.684 . . . . 1.3300000000000001 112.847 -178.046 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 823' ' ' CYS . . . . . . . . . . . . . 86.9 m -73.52 -50.31 22.11 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 112.811 0.671 . . . . 0.62 112.811 -174.66 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 824' ' ' ALA . . . . . . . . . . . . . . . -57.75 -42.74 84.56 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-O 121.116 0.484 . . . . 0.95999999999999996 110.213 178.708 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 825' ' ' LYS . . . . . 0.548 ' HG2' ' O ' ' A' ' 821' ' ' MET . 25.9 mmmt -65.7 -39.28 91.09 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.606 -0.724 . . . . 2.9900000000000002 111.633 -179.549 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 826' ' ' ARG . . . . . 0.6 ' HA ' ' NE ' ' A' ' 826' ' ' ARG . 1.4 tpm_? -69.69 -27.47 65.03 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.796 -0.361 . . . . 4.1799999999999997 111.565 -171.055 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 827' ' ' TYR . . . . . . . . . . . . . 63.1 t80 . . . . . 0 C--N 1.326 -0.441 0 N-CA-C 109.638 -0.504 . . . . 1.5600000000000001 109.638 -177.74 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 796' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 . . . . . 0 N--CA 1.45 -0.431 0 N-CA-C 106.676 -1.602 . . . . 1.6799999999999999 106.676 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 797' ' ' LEU . . . . . . . . . . . . . 10.2 mt -88.76 153.96 20.66 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 112.767 -2.015 . . . . 1.3200000000000001 112.247 -167.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 798' ' ' LEU . . . . . 0.504 HD23 ' C ' ' A' ' 798' ' ' LEU . 0.0 OUTLIER -145.85 142.95 29.3 Favored 'General case' 0 C--N 1.315 -0.908 0 N-CA-C 106.271 -1.751 . . . . 1.99 106.271 166.796 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 799' ' ' LYS . . . . . 0.548 ' H ' ' HD3' ' A' ' 799' ' ' LYS . 0.0 OUTLIER -99.77 136.43 39.7 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 118.117 -1.433 . . . . 2.3799999999999999 114.401 -164.581 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 800' ' ' CYS . . . . . 0.553 ' HB2' ' SG ' ' A' ' 819' ' ' CYS . 46.8 t -43.12 107.38 0.08 Allowed 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 111.885 -2.416 . . . . 0.40999999999999998 112.264 171.714 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -62.82 5.69 0.12 Allowed 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 113.115 0.784 . . . . 2.4199999999999999 113.115 -179.455 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 802' ' ' TYR . . . . . 0.426 ' HB2' ' CD1' ' A' ' 818' ' ' PHE . 37.8 t80 -103.27 -49.16 3.8 Favored 'General case' 0 C--N 1.328 -0.354 0 O-C-N 121.41 -0.806 . . . . 1.21 110.335 178.803 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 803' ' ' CYS . . . . . 0.451 ' SG ' ' SG ' ' A' ' 800' ' ' CYS . 7.0 p -112.29 -20.09 11.98 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 111.865 0.32 . . . . 0.51000000000000001 111.865 -178.76 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 93.08 14.22 54.93 Favored Glycine 0 N--CA 1.445 -0.722 0 C-N-CA 120.306 -0.95 . . . . 0.27000000000000002 112.599 172.284 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 805' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -85.89 136.23 33.37 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 110.325 -0.25 . . . . 2.73 110.325 -176.226 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 806' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -87.07 131.72 34.04 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.01 0.433 . . . . 1.22 110.021 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -149.4 153.88 37.82 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-N 115.395 -0.82 . . . . 1.0800000000000001 109.901 -177.605 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 808' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -63.0 128.6 23.41 Favored 'Trans proline' 0 N--CA 1.46 -0.449 0 C-N-CA 122.335 2.023 . . . . 0.95999999999999996 111.692 -178.049 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 809' ' ' ALA . . . . . . . . . . . . . . . -45.41 -29.52 1.11 Allowed 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 114.879 -1.055 . . . . 1.0600000000000001 113.316 -177.509 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -51.66 -37.68 51.53 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 123.385 0.674 . . . . 2.8599999999999999 111.503 178.08 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -77.89 -24.8 48.33 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.737 -0.665 . . . . 1.48 111.257 -175.348 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 812' ' ' PHE . . . . . 0.653 ' HB3' ' HA ' ' A' ' 816' ' ' LYS . 36.7 m-85 -69.81 49.84 0.1 Allowed 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 113.941 1.089 . . . . 0.68999999999999995 113.941 179.558 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 75.2 mtt180 -81.4 145.33 30.86 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.733 -0.667 . . . . 4.71 109.407 173.041 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 94.84 -54.48 1.92 Allowed Glycine 0 N--CA 1.445 -0.727 0 N-CA-C 110.921 -0.871 . . . . 2.2000000000000002 110.921 -172.514 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 18.5 p -161.56 123.5 2.92 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.422 0.153 . . . . 2.1699999999999999 110.63 178.465 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 816' ' ' LYS . . . . . 0.653 ' HA ' ' HB3' ' A' ' 812' ' ' PHE . 96.0 mttt -78.51 64.89 3.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.694 0.759 . . . . 2.21 109.544 177.539 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 817' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -148.03 -34.37 0.23 Allowed 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 114.52 -1.218 . . . . 3.73 109.458 -172.449 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 818' ' ' PHE . . . . . 0.426 ' CD1' ' HB2' ' A' ' 802' ' ' TYR . 69.5 m-85 -136.75 139.81 42.12 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.189 -0.671 . . . . 0.57999999999999996 109.189 -175.116 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 819' ' ' CYS . . . . . 0.553 ' SG ' ' HB2' ' A' ' 800' ' ' CYS . 2.0 p -75.0 102.86 4.97 Favored 'General case' 0 N--CA 1.439 -1.015 0 C-N-CA 119.754 -0.778 . . . . 1.3600000000000001 111.001 -174.231 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 820' ' ' SER . . . . . 0.412 ' HB3' ' O ' ' A' ' 819' ' ' CYS . 34.9 t 88.36 -158.21 0.01 OUTLIER 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.132 0.573 . . . . 1.76 109.905 162.154 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 821' ' ' MET . . . . . 0.459 ' HE1' ' HA ' ' A' ' 821' ' ' MET . 31.7 mmt -82.66 -54.71 4.93 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 111.718 0.266 . . . . 2.6000000000000001 111.718 -173.121 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 822' ' ' THR . . . . . . . . . . . . . 3.9 m -44.17 -52.49 7.29 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 123.786 0.834 . . . . 1.3300000000000001 112.837 177.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 823' ' ' CYS . . . . . . . . . . . . . 98.4 m -69.92 -48.15 59.64 Favored 'General case' 0 C--N 1.312 -1.051 0 N-CA-C 112.778 0.658 . . . . 0.62 112.778 -176.134 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 824' ' ' ALA . . . . . . . . . . . . . . . -60.45 -46.74 88.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.248 -0.433 . . . . 0.95999999999999996 111.485 -177.361 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 19.9 ptmt -65.78 -30.9 71.62 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 116.013 -0.539 . . . . 2.9900000000000002 110.298 -178.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 43.9 ttt180 -70.63 -25.1 62.87 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.562 -0.745 . . . . 4.1799999999999997 110.646 -173.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 827' ' ' TYR . . . . . . . . . . . . . 81.2 t80 . . . . . 0 CA--C 1.535 0.384 0 CA-C-O 121.914 0.864 . . . . 1.5600000000000001 109.909 177.017 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.675 0 N-CA-C 111.968 -0.453 . . . . 12.74 111.968 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.4 p -93.92 34.68 1.21 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.946 0.403 . . . . 11.16 112.016 -177.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 80.4 mtp180 -109.77 107.02 16.86 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.329 -0.396 . . . . 13.42 110.121 177.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . 96.74 31.12 7.2 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.946 -0.645 . . . . 8.5 112.592 179.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 784' ' ' VAL . . . . . . . . . . . . . 61.6 t -82.95 -67.76 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 O-C-N 122.699 -0.295 . . . . 10.69 110.432 179.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -89.28 44.07 1.19 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.538 0.685 . . . . 11.27 110.146 178.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 786' ' ' SER . . . . . 0.406 ' OG ' ' HB2' ' A' ' 793' ' ' LYS . 5.0 m -122.6 120.2 27.96 Favored Pre-proline 0 C--N 1.32 -0.715 0 CA-C-N 116.089 -0.505 . . . . 9.1699999999999999 112.185 -171.803 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 787' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_exo -71.76 -41.01 2.4 Favored 'Trans proline' 0 N--CA 1.46 -0.477 0 C-N-CA 122.751 2.301 . . . . 11.58 109.853 168.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 788' ' ' SER . . . . . . . . . . . . . 17.5 m -87.47 52.76 2.58 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 115.006 -0.997 . . . . 10.779999999999999 109.641 173.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -60.11 -34.48 73.55 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.076 -0.511 . . . . 9.4100000000000001 110.882 -178.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 790' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -59.7 -36.49 76.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.703 -0.681 . . . . 9.3399999999999999 111.099 178.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 791' ' ' LEU . . . . . . . . . . . . . 89.5 mt -92.81 18.16 9.36 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.219 0.533 . . . . 9.25 110.058 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 792' ' ' ASP . . . . . 0.466 ' C ' ' H ' ' A' ' 794' ' ' LYS . 16.3 t70 56.12 41.63 29.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 114.561 -1.199 . . . . 7.0999999999999996 111.476 175.382 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 793' ' ' LYS . . . . . 0.458 ' HB3' ' O ' ' A' ' 792' ' ' ASP . 51.0 tptt 73.92 -23.66 0.22 Allowed 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 116.012 -0.54 . . . . 6.6299999999999999 111.667 176.288 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 794' ' ' LYS . . . . . 0.675 ' HB3' HD21 ' A' ' 797' ' ' LEU . 0.0 OUTLIER 56.31 46.98 20.07 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.228 -0.896 . . . . 6.8600000000000003 108.691 -167.893 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -74.26 -62.97 1.33 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.243 -0.889 . . . . 2.0600000000000001 111.17 175.095 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 796' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -77.7 77.15 4.22 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 114.322 -1.308 . . . . 1.6799999999999999 111.522 -176.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 797' ' ' LEU . . . . . 0.675 HD21 ' HB3' ' A' ' 794' ' ' LYS . 15.6 mt -98.17 152.6 19.19 Favored 'General case' 0 N--CA 1.441 -0.92 0 CA-C-O 122.093 0.949 . . . . 1.3200000000000001 112.275 -178.643 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 798' ' ' LEU . . . . . 0.494 HD13 ' N ' ' A' ' 799' ' ' LYS . 1.0 OUTLIER -145.23 179.91 7.07 Favored 'General case' 0 C--N 1.305 -1.366 0 N-CA-C 103.717 -2.698 . . . . 1.99 103.717 166.714 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 799' ' ' LYS . . . . . 0.494 ' N ' HD13 ' A' ' 798' ' ' LEU . 0.0 OUTLIER -145.01 148.0 33.25 Favored 'General case' 0 C--N 1.315 -0.892 0 C-N-CA 116.75 -1.98 . . . . 2.3799999999999999 113.547 -176.02 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 800' ' ' CYS . . . . . 0.516 ' C ' ' H ' ' A' ' 802' ' ' TYR . 53.9 t -49.62 111.33 0.49 Allowed 'General case' 0 N--CA 1.44 -0.933 0 CA-C-N 112.366 -2.197 . . . . 0.40999999999999998 111.26 178.742 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 55.4 mm-40 -62.92 12.88 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 112.667 0.617 . . . . 2.4199999999999999 112.667 177.098 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 802' ' ' TYR . . . . . 0.516 ' H ' ' C ' ' A' ' 800' ' ' CYS . 36.0 t80 -105.81 -89.63 0.43 Allowed 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 108.672 -0.862 . . . . 1.21 108.672 171.004 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 3.2 p -65.45 -32.74 74.52 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 113.841 1.052 . . . . 0.51000000000000001 113.841 177.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 90.85 20.13 41.04 Favored Glycine 0 C--N 1.318 -0.46 0 C-N-CA 119.833 -1.175 . . . . 0.27000000000000002 113.358 174.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 805' ' ' LYS . . . . . . . . . . . . . 64.1 mttm -82.16 136.69 35.1 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.688 0.28 . . . . 2.73 110.635 178.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 806' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -88.15 138.41 31.47 Favored 'General case' 0 CA--C 1.514 -0.414 0 CA-C-N 115.752 -0.658 . . . . 1.22 109.83 -177.045 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 807' ' ' ALA . . . . . 0.44 ' C ' HD23 ' A' ' 797' ' ' LEU . . . -157.09 160.68 30.47 Favored Pre-proline 0 C--N 1.315 -0.912 0 CA-C-N 115.386 -0.825 . . . . 1.0800000000000001 109.477 -176.003 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 808' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_exo -63.23 125.85 16.61 Favored 'Trans proline' 0 N--CA 1.451 -0.983 0 C-N-CA 121.37 1.38 . . . . 0.95999999999999996 109.909 176.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 809' ' ' ALA . . . . . 0.468 ' HA ' ' CD1' ' A' ' 812' ' ' PHE . . . -42.08 -26.96 0.11 Allowed 'General case' 0 N--CA 1.477 0.879 0 O-C-N 124.45 1.093 . . . . 1.0600000000000001 113.568 -177.023 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -61.32 -26.35 67.74 Favored 'General case' 0 C--N 1.318 -0.768 0 C-N-CA 122.885 0.474 . . . . 2.8599999999999999 112.2 178.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.29 -2.07 58.36 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.664 0.745 . . . . 1.48 109.769 -177.399 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 812' ' ' PHE . . . . . 0.468 ' CD1' ' HA ' ' A' ' 809' ' ' ALA . 67.6 m-85 -91.86 62.84 4.42 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 122.144 0.973 . . . . 0.68999999999999995 109.089 -176.773 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 813' ' ' ARG . . . . . 0.426 ' C ' ' H ' ' A' ' 815' ' ' SER . 14.1 mmm-85 -71.99 -5.25 33.58 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 113.523 -1.671 . . . . 4.71 110.645 -178.125 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . -82.64 33.83 2.77 Favored Glycine 0 N--CA 1.449 -0.451 0 N-CA-C 111.087 -0.805 . . . . 2.2000000000000002 111.087 173.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 815' ' ' SER . . . . . 0.426 ' H ' ' C ' ' A' ' 813' ' ' ARG . 16.3 m 56.61 47.11 19.12 Favored 'General case' 0 C--O 1.231 0.126 0 C-N-CA 123.29 0.636 . . . . 2.1699999999999999 111.016 -179.349 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp 55.36 58.21 4.81 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 114.891 -1.049 . . . . 2.21 111.299 171.329 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 817' ' ' ARG . . . . . . . . . . . . . 60.0 mtt85 -144.3 -42.56 0.26 Allowed 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 107.865 -1.161 . . . . 3.73 107.865 178.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 818' ' ' PHE . . . . . 0.436 ' HA ' ' HA ' ' A' ' 800' ' ' CYS . 93.0 m-85 -135.98 162.86 31.68 Favored 'General case' 0 N--CA 1.438 -1.066 0 CA-C-N 114.275 -1.329 . . . . 0.57999999999999996 108.585 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 819' ' ' CYS . . . . . . . . . . . . . 1.8 p -68.57 -157.79 0.02 OUTLIER 'General case' 0 C--N 1.315 -0.931 0 N-CA-C 108.822 -0.807 . . . . 1.3600000000000001 108.822 170.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 29.8 p -67.87 -131.04 0.0 OUTLIER 'General case' 0 CA--C 1.55 0.973 0 N-CA-C 113.751 1.019 . . . . 1.76 113.751 -160.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 821' ' ' MET . . . . . 0.618 ' O ' ' HG2' ' A' ' 825' ' ' LYS . 32.4 mmt -78.46 -57.56 3.71 Favored 'General case' 0 CA--C 1.515 -0.394 0 O-C-N 121.001 -1.062 . . . . 2.6000000000000001 112.134 -161.117 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 822' ' ' THR . . . . . 0.411 ' O ' ' HB2' ' A' ' 826' ' ' ARG . 4.1 m -44.35 -51.98 8.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 123.701 0.626 . . . . 1.3300000000000001 112.04 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 823' ' ' CYS . . . . . . . . . . . . . 91.5 m -73.07 -54.04 9.55 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 113.777 1.028 . . . . 0.62 113.777 -175.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 824' ' ' ALA . . . . . . . . . . . . . . . -58.73 -45.08 90.42 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-O 120.652 0.263 . . . . 0.95999999999999996 111.408 -177.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 825' ' ' LYS . . . . . 0.618 ' HG2' ' O ' ' A' ' 821' ' ' MET . 19.1 ptmt -66.12 -27.68 68.23 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 121.018 -0.273 . . . . 2.9900000000000002 111.138 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 826' ' ' ARG . . . . . 0.411 ' HB2' ' O ' ' A' ' 822' ' ' THR . 66.8 ttt180 -73.8 -23.82 59.74 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 121.464 0.649 . . . . 4.1799999999999997 110.069 -173.619 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 827' ' ' TYR . . . . . . . . . . . . . 79.8 t80 -85.58 -34.0 21.56 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.074 -0.966 . . . . 1.5600000000000001 110.051 177.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 828' ' ' ASN . . . . . . . . . . . . . 48.8 m-80 . . . . . 0 C--O 1.252 1.202 0 CA-C-N 115.63 -0.714 . . . . 3.1000000000000001 110.833 -178.152 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 829' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.916 0 N-CA-C 111.749 -0.54 . . . . 12.74 111.749 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 22.5 m -137.32 88.8 2.37 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.06 0.457 . . . . 11.16 110.472 -179.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 25.5 ttm180 -68.66 151.53 46.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.091 -0.504 . . . . 13.42 111.265 178.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . 134.02 -11.14 4.79 Favored Glycine 0 N--CA 1.45 -0.385 0 N-CA-C 111.323 -0.711 . . . . 8.5 111.323 -179.029 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 784' ' ' VAL . . . . . . . . . . . . . 15.0 p -123.96 -22.75 2.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 121.545 0.688 . . . . 10.69 109.951 178.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -77.25 -26.73 52.83 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.448 -0.796 . . . . 11.27 109.94 176.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 786' ' ' SER . . . . . . . . . . . . . 49.5 m -114.69 141.84 27.36 Favored Pre-proline 0 N--CA 1.446 -0.627 0 CA-C-N 115.419 -0.81 . . . . 9.1699999999999999 111.025 -175.183 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 787' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -64.15 -17.49 59.94 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.926 2.417 . . . . 11.58 111.376 173.471 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 788' ' ' SER . . . . . . . . . . . . . 14.2 m -81.43 61.24 4.81 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 108.934 -0.765 . . . . 10.779999999999999 108.934 169.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -61.32 -48.46 81.23 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.456 -0.793 . . . . 9.4100000000000001 111.809 -172.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 790' ' ' GLU . . . . . 0.634 ' HA ' ' HB2' ' A' ' 793' ' ' LYS . 48.5 mt-10 -74.49 -6.54 48.94 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.266 0.469 . . . . 9.3399999999999999 112.266 -175.222 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 791' ' ' LEU . . . . . 0.505 ' O ' ' HG ' ' A' ' 791' ' ' LEU . 57.4 tp -78.22 41.09 0.37 Allowed 'General case' 0 N--CA 1.447 -0.579 0 CA-C-O 122.254 1.026 . . . . 9.25 110.234 -176.233 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 792' ' ' ASP . . . . . 0.472 ' H ' ' C ' ' A' ' 790' ' ' GLU . 17.8 t70 177.95 -33.02 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 114.342 -1.299 . . . . 7.0999999999999996 108.483 -179.65 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 793' ' ' LYS . . . . . 0.634 ' HB2' ' HA ' ' A' ' 790' ' ' GLU . 31.4 mmmt -69.79 -47.5 62.62 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 114.174 -1.376 . . . . 6.6299999999999999 110.973 178.37 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 794' ' ' LYS . . . . . 0.496 ' HG3' ' H ' ' A' ' 795' ' ' ALA . 14.2 pttp -162.69 -76.88 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.221 -0.445 . . . . 6.8600000000000003 110.988 179.254 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 795' ' ' ALA . . . . . 0.496 ' H ' ' HG3' ' A' ' 794' ' ' LYS . . . 45.08 39.13 3.61 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 121.075 0.464 . . . . 2.0600000000000001 111.738 -176.807 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 796' ' ' ASN . . . . . 0.461 ' N ' HD21 ' A' ' 796' ' ' ASN . 0.0 OUTLIER -75.34 74.26 2.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 122.026 0.917 . . . . 1.6799999999999999 109.753 174.418 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 797' ' ' LEU . . . . . . . . . . . . . 16.2 mt -90.48 147.29 23.49 Favored 'General case' 0 N--CA 1.442 -0.842 0 CA-C-N 115.624 -0.716 . . . . 1.3200000000000001 111.214 -171.448 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 798' ' ' LEU . . . . . 0.492 ' C ' HD22 ' A' ' 798' ' ' LEU . 0.0 OUTLIER -144.89 171.12 14.89 Favored 'General case' 0 C--N 1.309 -1.171 0 N-CA-C 104.814 -2.291 . . . . 1.99 104.814 169.129 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 799' ' ' LYS . . . . . 0.455 ' HD2' ' CE2' ' A' ' 806' ' ' TYR . 0.0 OUTLIER -135.69 139.92 44.05 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 116.63 -2.028 . . . . 2.3799999999999999 114.203 -171.575 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 800' ' ' CYS . . . . . 0.733 ' HB2' ' SG ' ' A' ' 819' ' ' CYS . 49.0 t -42.55 116.43 0.85 Allowed 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 111.324 -2.671 . . . . 0.40999999999999998 113.105 178.16 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -59.26 -3.48 0.41 Allowed 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 115.293 -0.867 . . . . 2.4199999999999999 112.793 176.284 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 802' ' ' TYR . . . . . 0.481 ' HB2' ' CE1' ' A' ' 818' ' ' PHE . 21.9 t80 -102.68 -49.73 3.75 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.261 -0.576 . . . . 1.21 110.899 -179.602 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 7.7 p -112.4 -27.27 8.34 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.749 0.648 . . . . 0.51000000000000001 112.749 -177.051 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 90.88 19.11 44.67 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.061 -1.066 . . . . 0.27000000000000002 112.718 174.104 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 805' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -79.45 132.02 36.24 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.937 -0.394 . . . . 2.73 109.937 178.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 806' ' ' TYR . . . . . 0.455 ' CE2' ' HD2' ' A' ' 799' ' ' LYS . 73.1 m-85 -89.54 131.09 35.73 Favored 'General case' 0 CA--C 1.515 -0.37 0 N-CA-C 109.644 -0.502 . . . . 1.22 109.644 -179.384 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -156.11 157.12 31.11 Favored Pre-proline 0 C--N 1.319 -0.743 0 CA-C-N 115.62 -0.718 . . . . 1.0800000000000001 109.825 -177.047 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 808' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_exo -58.2 126.98 23.16 Favored 'Trans proline' 0 N--CA 1.461 -0.397 0 C-N-CA 122.602 2.201 . . . . 0.95999999999999996 111.584 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 809' ' ' ALA . . . . . . . . . . . . . . . -44.89 -32.98 1.78 Allowed 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 113.741 1.015 . . . . 1.0600000000000001 113.741 -177.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 2.7 pm0 -58.83 -28.5 66.1 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.025 -0.534 . . . . 2.8599999999999999 111.636 179.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -78.81 -29.6 44.94 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.271 -0.422 . . . . 1.48 110.508 -179.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 812' ' ' PHE . . . . . 0.724 ' HB3' ' HA ' ' A' ' 816' ' ' LYS . 33.6 m-85 -69.84 54.99 0.13 Allowed 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 113.176 0.806 . . . . 0.68999999999999995 113.176 -179.529 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 69.9 mtm-85 -79.39 14.38 1.59 Allowed 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.76 -0.655 . . . . 4.71 110.922 175.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . -94.46 42.57 2.43 Favored Glycine 0 N--CA 1.444 -0.776 0 N-CA-C 110.174 -1.17 . . . . 2.2000000000000002 110.174 167.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 7.8 t 60.76 39.87 16.77 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 121.336 0.588 . . . . 2.1699999999999999 111.118 -178.191 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 816' ' ' LYS . . . . . 0.724 ' HA ' ' HB3' ' A' ' 812' ' ' PHE . 97.4 mttt 47.36 56.46 6.93 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 114.587 -1.188 . . . . 2.21 111.989 165.648 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 817' ' ' ARG . . . . . . . . . . . . . 61.6 mtm180 -153.91 -31.34 0.12 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 113.538 -1.665 . . . . 3.73 109.062 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 818' ' ' PHE . . . . . 0.481 ' CE1' ' HB2' ' A' ' 802' ' ' TYR . 81.2 m-85 -133.5 136.77 45.29 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 109.313 -0.625 . . . . 0.57999999999999996 109.313 175.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 819' ' ' CYS . . . . . 0.733 ' SG ' ' HB2' ' A' ' 800' ' ' CYS . 0.8 OUTLIER -73.98 103.54 4.51 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 116.11 -0.496 . . . . 1.3600000000000001 111.413 -173.303 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 56.5 p 82.75 -154.38 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.573 1.149 . . . . 1.76 110.001 163.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 821' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.9 -60.38 2.03 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.846 0.355 . . . . 2.6000000000000001 111.117 -172.771 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 822' ' ' THR . . . . . 0.432 ' HA ' ' HD3' ' A' ' 825' ' ' LYS . 0.5 OUTLIER -45.56 -41.71 10.18 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 113.649 0.981 . . . . 1.3300000000000001 113.649 177.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 823' ' ' CYS . . . . . 0.591 ' HB2' ' O ' ' A' ' 819' ' ' CYS . 93.2 m -74.41 -43.83 54.62 Favored 'General case' 0 C--N 1.313 -1.003 0 N-CA-C 112.407 0.521 . . . . 0.62 112.407 178.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 824' ' ' ALA . . . . . . . . . . . . . . . -61.84 -44.6 96.51 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.501 -0.318 . . . . 0.95999999999999996 111.324 179.479 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 825' ' ' LYS . . . . . 0.432 ' HD3' ' HA ' ' A' ' 822' ' ' THR . 0.0 OUTLIER -64.7 -27.66 69.07 Favored 'General case' 0 C--O 1.227 -0.121 0 CA-C-O 120.965 0.412 . . . . 2.9900000000000002 110.629 178.478 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 7.4 tpp180 -66.89 -31.03 71.36 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 115.642 -0.708 . . . . 4.1799999999999997 110.873 -176.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 827' ' ' TYR . . . . . . . . . . . . . 88.7 t80 -87.59 -13.22 43.4 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.743 -0.383 . . . . 1.5600000000000001 110.434 178.013 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 828' ' ' ASN . . . . . . . . . . . . . 12.9 m120 . . . . . 0 C--O 1.251 1.138 0 CA-C-O 118.789 -0.624 . . . . 3.1000000000000001 110.818 -179.498 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 829' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.889 0 N-CA-C 111.68 -0.568 . . . . 12.74 111.68 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 55.1 m 74.98 -48.22 0.63 Allowed 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.21 0.604 . . . . 11.16 112.237 173.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 44.0 mtp180 -87.27 -74.28 0.44 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.784 0.325 . . . . 13.42 110.641 178.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . 140.72 -164.05 26.44 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.742 -0.742 . . . . 8.5 112.071 -179.187 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 784' ' ' VAL . . . . . 0.476 ' HA ' ' OE1' ' A' ' 810' ' ' GLU . 93.6 t 77.33 -56.97 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.472 0 C-N-CA 123.345 0.658 . . . . 10.69 110.252 178.05 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -119.29 95.5 4.83 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 108.47 -0.937 . . . . 11.27 108.47 170.253 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 786' ' ' SER . . . . . 0.476 ' HA ' ' HD3' ' A' ' 787' ' ' PRO . 53.4 m -136.42 132.63 18.92 Favored Pre-proline 0 C--N 1.318 -0.766 0 CA-C-N 116.302 -0.408 . . . . 9.1699999999999999 111.663 -175.423 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 787' ' ' PRO . . . . . 0.476 ' HD3' ' HA ' ' A' ' 786' ' ' SER . 5.3 Cg_endo -87.38 5.37 5.66 Favored 'Trans proline' 0 N--CA 1.456 -0.677 0 C-N-CA 123.5 2.8 . . . . 11.58 111.023 173.585 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 788' ' ' SER . . . . . . . . . . . . . 21.8 t -135.61 157.02 47.91 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-N 114.981 -1.008 . . . . 10.779999999999999 108.602 179.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -76.34 68.55 2.73 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.873 0.368 . . . . 9.4100000000000001 111.396 -177.443 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 790' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -116.28 -7.42 11.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.02 -0.536 . . . . 9.3399999999999999 111.498 178.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 791' ' ' LEU . . . . . . . . . . . . . 4.2 pp -85.67 -3.65 58.94 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 119.709 -0.796 . . . . 9.25 110.258 -175.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -88.13 2.7 51.45 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 114.708 -1.133 . . . . 7.0999999999999996 109.399 173.447 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 793' ' ' LYS . . . . . 0.573 ' HZ1' ' HB3' ' A' ' 793' ' ' LYS . 7.1 ttpm? -74.64 -32.78 62.38 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.376 -0.829 . . . . 6.6299999999999999 110.761 179.041 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 2.0 mmmp? -78.28 -174.76 3.87 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.472 -0.786 . . . . 6.8600000000000003 110.745 -176.432 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -161.17 33.14 0.14 Allowed 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.635 -0.711 . . . . 2.0600000000000001 109.997 -179.402 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 796' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -78.91 86.21 4.82 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.974 -1.012 . . . . 1.6799999999999999 109.264 172.282 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 797' ' ' LEU . . . . . . . . . . . . . 22.3 mt -93.57 153.68 18.29 Favored 'General case' 0 N--CA 1.441 -0.914 0 CA-C-O 121.772 0.796 . . . . 1.3200000000000001 111.198 -172.148 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 798' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -150.39 -174.08 4.64 Favored 'General case' 0 C--N 1.308 -1.215 0 N-CA-C 105.031 -2.211 . . . . 1.99 105.031 171.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 799' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.78 143.07 25.15 Favored 'General case' 0 C--N 1.313 -0.989 0 C-N-CA 117.118 -1.833 . . . . 2.3799999999999999 114.292 -174.19 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 800' ' ' CYS . . . . . 0.634 ' HB2' ' SG ' ' A' ' 819' ' ' CYS . 39.8 t -44.75 108.09 0.11 Allowed 'General case' 0 N--CA 1.446 -0.67 0 CA-C-N 112.124 -2.307 . . . . 0.40999999999999998 112.18 178.837 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -65.01 16.2 0.02 OUTLIER 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 113.001 0.741 . . . . 2.4199999999999999 113.001 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 802' ' ' TYR . . . . . 0.49 ' H ' ' C ' ' A' ' 800' ' ' CYS . 27.8 t80 -110.56 -41.3 4.36 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 110.045 -0.354 . . . . 1.21 110.045 173.404 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 9.1 p -116.56 -35.48 4.23 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 112.77 0.656 . . . . 0.51000000000000001 112.77 -178.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 96.07 22.52 19.9 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.607 -0.806 . . . . 0.27000000000000002 112.761 177.448 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 805' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -84.2 129.72 34.87 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 122.508 -0.407 . . . . 2.73 110.056 179.139 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 806' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -84.56 136.4 33.81 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-O 121.299 0.571 . . . . 1.22 111.187 -173.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -161.53 158.14 22.19 Favored Pre-proline 0 N--CA 1.446 -0.668 0 CA-C-N 114.87 -1.059 . . . . 1.0800000000000001 109.609 -176.328 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 808' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo -59.87 131.17 38.19 Favored 'Trans proline' 0 N--CA 1.457 -0.657 0 C-N-CA 122.349 2.032 . . . . 0.95999999999999996 110.955 174.347 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 809' ' ' ALA . . . . . . . . . . . . . . . -43.22 -21.44 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 113.944 1.091 . . . . 1.0600000000000001 113.944 177.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 810' ' ' GLU . . . . . 0.496 ' O ' ' HG3' ' A' ' 813' ' ' ARG . 3.0 mm-40 -63.38 -26.44 68.75 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.91 0.707 . . . . 2.8599999999999999 112.91 179.392 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -76.5 -28.42 56.43 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.13 -0.693 . . . . 1.48 109.13 -178.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 812' ' ' PHE . . . . . 0.748 ' HB3' ' HA ' ' A' ' 816' ' ' LYS . 2.7 m-85 -70.29 45.13 0.07 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 114.524 -1.216 . . . . 0.68999999999999995 112.967 179.294 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 813' ' ' ARG . . . . . 0.496 ' HG3' ' O ' ' A' ' 810' ' ' GLU . 98.4 mtt180 -82.4 145.35 29.93 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.007 -0.738 . . . . 4.71 109.007 173.724 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 93.71 -41.21 2.67 Favored Glycine 0 N--CA 1.445 -0.735 0 N-CA-C 110.976 -0.849 . . . . 2.2000000000000002 110.976 -170.141 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 12.9 p -171.03 124.98 0.65 Allowed 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 122.584 0.353 . . . . 2.1699999999999999 110.433 177.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 816' ' ' LYS . . . . . 0.748 ' HA ' ' HB3' ' A' ' 812' ' ' PHE . 72.6 mmtt -76.81 54.33 0.98 Allowed 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 121.221 0.534 . . . . 2.21 110.177 179.496 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 817' ' ' ARG . . . . . . . . . . . . . 37.4 mmt180 -140.1 -30.66 0.67 Allowed 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 123.613 0.765 . . . . 3.73 110.233 -171.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 818' ' ' PHE . . . . . 0.577 ' HA ' ' HA ' ' A' ' 800' ' ' CYS . 55.5 m-85 -136.59 164.28 28.57 Favored 'General case' 0 CA--C 1.512 -0.487 0 N-CA-C 109.736 -0.468 . . . . 0.57999999999999996 109.736 -177.629 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 819' ' ' CYS . . . . . 0.634 ' SG ' ' HB2' ' A' ' 800' ' ' CYS . 0.6 OUTLIER -68.37 -157.41 0.02 OUTLIER 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 108.534 -0.913 . . . . 1.3600000000000001 108.534 167.174 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 62.1 p -67.49 -137.1 0.0 OUTLIER 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 113.716 1.006 . . . . 1.76 113.716 -159.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 821' ' ' MET . . . . . 0.412 ' SD ' ' HD2' ' A' ' 825' ' ' LYS . 0.0 OUTLIER -73.89 -51.93 14.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 121.014 -1.053 . . . . 2.6000000000000001 111.153 -159.764 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 822' ' ' THR . . . . . . . . . . . . . 7.4 m -44.23 -50.47 8.81 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 123.548 0.53 . . . . 1.3300000000000001 112.421 177.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 823' ' ' CYS . . . . . . . . . . . . . 69.0 m -72.37 -47.14 51.79 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 113.282 0.845 . . . . 0.62 113.282 -172.269 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 824' ' ' ALA . . . . . . . . . . . . . . . -60.82 -45.23 95.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.323 0.582 . . . . 0.95999999999999996 109.896 175.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 825' ' ' LYS . . . . . 0.412 ' HD2' ' SD ' ' A' ' 821' ' ' MET . 42.1 tttp -58.77 -37.09 75.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.16 -0.927 . . . . 2.9900000000000002 111.867 176.036 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 29.2 tpt180 -66.47 -33.02 74.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 4.1799999999999997 111.586 -175.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 827' ' ' TYR . . . . . . . . . . . . . 50.0 t80 -85.63 -2.12 57.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.294 -0.412 . . . . 1.5600000000000001 110.038 -176.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 828' ' ' ASN . . . . . . . . . . . . . 13.4 m120 . . . . . 0 C--O 1.25 1.115 0 CA-C-N 115.929 -0.578 . . . . 3.1000000000000001 111.64 172.421 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 829' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.744 0 N-CA-C 111.48 -0.648 . . . . 12.74 111.48 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.3 t -93.04 170.25 9.8 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.964 0.412 . . . . 11.16 110.827 -175.325 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 73.1 mtm180 -101.1 115.99 31.79 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.071 -0.513 . . . . 13.42 110.188 -178.43 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . 121.78 44.64 0.37 Allowed Glycine 0 N--CA 1.451 -0.352 0 N-CA-C 111.386 -0.685 . . . . 8.5 111.386 -176.146 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 784' ' ' VAL . . . . . . . . . . . . . 62.4 t -99.37 -54.16 7.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 121.08 0.466 . . . . 10.69 110.777 -177.004 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -80.4 -5.91 57.22 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.43 0.634 . . . . 11.27 109.647 178.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 786' ' ' SER . . . . . 0.693 ' HB3' ' HB2' ' A' ' 792' ' ' ASP . 7.9 m -72.61 144.14 85.8 Favored Pre-proline 0 C--N 1.32 -0.715 0 CA-C-N 114.836 -1.075 . . . . 9.1699999999999999 111.206 -178.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 787' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -76.91 -16.47 16.11 Favored 'Trans proline' 0 N--CA 1.464 -0.239 0 C-N-CA 122.919 2.413 . . . . 11.58 112.258 178.302 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 788' ' ' SER . . . . . . . . . . . . . 1.3 m -111.48 165.0 12.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.006 -0.543 . . . . 10.779999999999999 109.665 178.224 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -72.69 -78.24 0.09 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.669 0.271 . . . . 9.4100000000000001 111.322 178.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 790' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -105.73 -2.01 23.77 Favored 'General case' 0 CA--C 1.518 -0.255 0 N-CA-C 112.069 0.396 . . . . 9.3399999999999999 112.069 -178.156 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 791' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -77.42 -14.15 59.77 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.581 0.705 . . . . 9.25 110.74 -176.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 792' ' ' ASP . . . . . 0.693 ' HB2' ' HB3' ' A' ' 786' ' ' SER . 30.1 m-20 -118.4 17.08 13.85 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-N 115.062 -0.972 . . . . 7.0999999999999996 109.238 176.615 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 793' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -71.0 -24.01 62.3 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 115.026 -0.988 . . . . 6.6299999999999999 109.574 178.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 794' ' ' LYS . . . . . 0.615 ' HA ' ' HG ' ' A' ' 797' ' ' LEU . 23.4 pttm -75.99 85.48 2.9 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 115.61 -0.723 . . . . 6.8600000000000003 110.677 177.204 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -69.88 -27.06 64.51 Favored 'General case' 0 CA--C 1.515 -0.378 0 CA-C-O 122.009 0.909 . . . . 2.0600000000000001 109.102 176.293 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 796' ' ' ASN . . . . . . . . . . . . . 9.7 p30 -161.79 24.45 0.12 Allowed 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 113.906 -1.497 . . . . 1.6799999999999999 108.86 175.145 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 797' ' ' LEU . . . . . 0.615 ' HG ' ' HA ' ' A' ' 794' ' ' LYS . 21.6 mt -92.43 147.85 22.58 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-O 121.286 0.565 . . . . 1.3200000000000001 110.444 -170.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 798' ' ' LEU . . . . . 0.532 HD13 ' N ' ' A' ' 799' ' ' LYS . 1.3 pp -146.27 178.95 7.85 Favored 'General case' 0 C--N 1.307 -1.277 0 N-CA-C 105.26 -2.126 . . . . 1.99 105.26 171.579 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 799' ' ' LYS . . . . . 0.532 ' N ' HD13 ' A' ' 798' ' ' LEU . 20.9 pttm -142.02 146.83 35.98 Favored 'General case' 0 N--CA 1.44 -0.963 0 C-N-CA 116.403 -2.119 . . . . 2.3799999999999999 114.118 -171.598 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 800' ' ' CYS . . . . . 0.742 ' HB2' ' SG ' ' A' ' 819' ' ' CYS . 52.6 t -52.19 102.6 0.05 Allowed 'General case' 0 N--CA 1.443 -0.806 0 CA-C-N 111.747 -2.479 . . . . 0.40999999999999998 111.398 174.807 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -67.67 19.13 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 112.973 0.731 . . . . 2.4199999999999999 112.973 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 802' ' ' TYR . . . . . 0.512 ' H ' ' C ' ' A' ' 800' ' ' CYS . 60.5 t80 -105.44 -44.23 4.76 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.454 -0.573 . . . . 1.21 109.454 171.389 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 19.4 p -114.04 -27.14 7.8 Favored 'General case' 0 N--CA 1.463 0.209 0 N-CA-C 112.414 0.524 . . . . 0.51000000000000001 112.414 -178.466 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 804' ' ' GLY . . . . . 0.453 ' O ' ' HD2' ' A' ' 799' ' ' LYS . . . 91.62 17.61 48.26 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.284 -0.96 . . . . 0.27000000000000002 112.367 173.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 805' ' ' LYS . . . . . 0.403 ' HA ' ' HD3' ' A' ' 805' ' ' LYS . 41.8 mmtm -87.02 131.09 34.2 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 110.29 -0.263 . . . . 2.73 110.29 -177.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 806' ' ' TYR . . . . . 0.468 ' CZ ' ' HD3' ' A' ' 799' ' ' LYS . 24.7 m-85 -88.56 137.94 31.87 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-O 120.922 0.392 . . . . 1.22 110.011 -175.438 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -160.21 162.15 24.48 Favored Pre-proline 0 C--N 1.321 -0.64 0 CA-C-N 115.407 -0.815 . . . . 1.0800000000000001 109.943 -176.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 808' ' ' PRO . . . . . 0.425 ' HA ' HD22 ' A' ' 797' ' ' LEU . 20.2 Cg_exo -66.05 128.61 19.99 Favored 'Trans proline' 0 N--CA 1.462 -0.376 0 C-N-CA 122.435 2.09 . . . . 0.95999999999999996 111.355 -178.243 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 809' ' ' ALA . . . . . 0.476 ' O ' ' HE3' ' A' ' 816' ' ' LYS . . . -42.95 -29.72 0.35 Allowed 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 113.697 0.999 . . . . 1.0600000000000001 113.697 -178.836 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 22.7 tp10 -57.57 -38.94 75.65 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 123.129 0.572 . . . . 2.8599999999999999 112.495 -177.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 811' ' ' GLN . . . . . 0.417 ' HG2' ' O ' ' A' ' 808' ' ' PRO . 7.1 pt20 -75.79 -18.88 59.35 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 121.191 -0.203 . . . . 1.48 111.117 -177.238 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 812' ' ' PHE . . . . . 0.565 ' HB3' ' HA ' ' A' ' 816' ' ' LYS . 77.7 m-85 -69.33 62.96 0.15 Allowed 'General case' 0 CA--C 1.53 0.177 0 CA-C-O 121.733 0.778 . . . . 0.68999999999999995 112.057 174.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 85.8 mtt180 -76.27 -27.28 56.62 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 114.925 -1.034 . . . . 4.71 110.343 174.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . -90.54 51.37 3.31 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.789 -0.72 . . . . 2.2000000000000002 111.302 174.042 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 39.5 m 73.22 142.45 0.06 Allowed 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 123.553 0.741 . . . . 2.1699999999999999 111.129 -175.325 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 816' ' ' LYS . . . . . 0.565 ' HA ' ' HB3' ' A' ' 812' ' ' PHE . 13.7 mptt -76.61 59.65 1.55 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.294 0.568 . . . . 2.21 109.822 178.424 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 817' ' ' ARG . . . . . . . . . . . . . 81.7 mtp180 -145.79 -32.22 0.37 Allowed 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.465 -0.789 . . . . 3.73 109.11 -173.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 818' ' ' PHE . . . . . 0.564 ' HA ' ' HA ' ' A' ' 800' ' ' CYS . 62.6 m-85 -139.6 136.06 33.98 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 108.327 -0.99 . . . . 0.57999999999999996 108.327 177.778 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 819' ' ' CYS . . . . . 0.742 ' SG ' ' HB2' ' A' ' 800' ' ' CYS . 0.8 OUTLIER -73.23 102.1 3.55 Favored 'General case' 0 N--CA 1.445 -0.677 0 C-N-CA 119.742 -0.783 . . . . 1.3600000000000001 112.29 -170.113 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 5.3 t 87.1 -147.86 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 115.729 -0.668 . . . . 1.76 110.214 162.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 821' ' ' MET . . . . . . . . . . . . . 14.3 tpt -85.19 -61.41 1.78 Allowed 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 111.973 0.361 . . . . 2.6000000000000001 111.973 -172.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 822' ' ' THR . . . . . . . . . . . . . 25.9 m -45.5 -44.6 12.64 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 123.547 0.739 . . . . 1.3300000000000001 112.694 177.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 823' ' ' CYS . . . . . 0.545 ' HB3' ' HB3' ' A' ' 818' ' ' PHE . 60.4 m -70.71 -41.67 71.63 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 112.58 0.585 . . . . 0.62 112.58 179.712 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 824' ' ' ALA . . . . . . . . . . . . . . . -61.54 -42.98 99.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.352 0.596 . . . . 0.95999999999999996 110.019 175.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 14.1 tmtt? -61.76 -37.26 83.63 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.23 -0.896 . . . . 2.9900000000000002 110.691 176.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 17.1 tpt180 -64.87 -33.79 76.85 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.866 -0.606 . . . . 4.1799999999999997 111.288 -173.424 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 827' ' ' TYR . . . . . . . . . . . . . 31.6 t80 -90.78 24.67 2.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.161 0.505 . . . . 1.5600000000000001 111.291 -178.193 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 828' ' ' ASN . . . . . . . . . . . . . 2.1 p30 . . . . . 0 C--O 1.251 1.138 0 CA-C-O 118.773 -0.632 . . . . 3.1000000000000001 109.509 175.963 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 829' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.768 0 N-CA-C 112.243 -0.343 . . . . 12.74 112.243 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.3 p -76.2 67.47 2.48 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.385 0.612 . . . . 11.16 111.747 -178.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 12.7 ptm180 -151.32 27.19 0.68 Allowed 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.518 0.675 . . . . 13.42 109.56 177.284 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . 87.42 153.45 24.92 Favored Glycine 0 N--CA 1.445 -0.765 0 CA-C-N 115.443 -0.798 . . . . 8.5 111.277 -174.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 784' ' ' VAL . . . . . 0.439 HG21 ' HG3' ' A' ' 790' ' ' GLU . 17.0 m -111.11 3.67 8.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-O 121.024 0.44 . . . . 10.69 110.189 -179.589 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 62.14 10.45 3.74 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 115.132 -0.94 . . . . 11.27 111.702 -179.44 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 786' ' ' SER . . . . . 0.49 ' O ' ' HB2' ' A' ' 791' ' ' LEU . 64.9 m -77.21 151.85 81.51 Favored Pre-proline 0 C--N 1.324 -0.531 0 N-CA-C 109.917 -0.401 . . . . 9.1699999999999999 109.917 176.561 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 787' ' ' PRO . . . . . 0.442 ' HA ' HD21 ' A' ' 791' ' ' LEU . 17.1 Cg_exo -68.03 35.82 0.17 Allowed 'Trans proline' 0 N--CA 1.478 0.575 0 C-N-CA 123.638 2.892 . . . . 11.58 114.021 -175.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 788' ' ' SER . . . . . 0.437 ' H ' ' C ' ' A' ' 786' ' ' SER . 29.4 t -105.7 -159.18 0.69 Allowed 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 108.426 -0.953 . . . . 10.779999999999999 108.426 174.798 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -59.92 -26.13 65.69 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.054 0.454 . . . . 9.4100000000000001 110.722 178.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 790' ' ' GLU . . . . . 0.698 ' HA ' ' HB2' ' A' ' 793' ' ' LYS . 19.1 mm-40 -65.13 -24.6 67.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.701 -0.681 . . . . 9.3399999999999999 112.258 -178.578 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 791' ' ' LEU . . . . . 0.49 ' HB2' ' O ' ' A' ' 786' ' ' SER . 60.5 tp -67.59 -29.66 69.07 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-O 121.591 0.71 . . . . 9.25 110.973 -172.549 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -113.28 9.18 18.29 Favored 'General case' 0 C--N 1.309 -1.177 0 CA-C-N 114.937 -1.029 . . . . 7.0999999999999996 109.25 178.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 793' ' ' LYS . . . . . 0.698 ' HB2' ' HA ' ' A' ' 790' ' ' GLU . 20.5 ttpp -70.28 -19.2 63.12 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.593 -0.73 . . . . 6.6299999999999999 110.456 -175.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 60.1 mttm -69.91 -32.97 71.56 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.652 -0.704 . . . . 6.8600000000000003 110.232 -179.103 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . 66.43 -3.84 0.79 Allowed 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 115.309 -0.86 . . . . 2.0600000000000001 113.136 174.333 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 796' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -77.5 68.38 3.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.623 0.725 . . . . 1.6799999999999999 110.221 178.215 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 797' ' ' LEU . . . . . . . . . . . . . 6.7 mt -105.6 147.88 27.94 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.425 -0.807 . . . . 1.3200000000000001 110.087 -177.457 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 798' ' ' LEU . . . . . 0.539 HD23 ' C ' ' A' ' 798' ' ' LEU . 0.0 OUTLIER -147.61 176.36 10.14 Favored 'General case' 0 C--N 1.313 -1.009 0 N-CA-C 106.024 -1.843 . . . . 1.99 106.024 173.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 799' ' ' LYS . . . . . 0.479 ' N ' HD23 ' A' ' 798' ' ' LEU . 0.0 OUTLIER -134.78 136.32 42.49 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 117.337 -1.745 . . . . 2.3799999999999999 113.959 -171.42 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 800' ' ' CYS . . . . . 0.589 ' HB2' ' SG ' ' A' ' 819' ' ' CYS . 33.7 t -45.67 118.61 1.86 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 111.9 -2.409 . . . . 0.40999999999999998 112.753 179.297 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 801' ' ' GLU . . . . . 0.405 ' CD ' HH12 ' A' ' 817' ' ' ARG . 36.5 tt0 -61.11 -1.94 0.54 Allowed 'General case' 0 CA--C 1.542 0.673 0 N-CA-C 113.21 0.819 . . . . 2.4199999999999999 113.21 178.661 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 802' ' ' TYR . . . . . . . . . . . . . 19.9 t80 -103.09 -46.16 4.72 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 121.453 -0.779 . . . . 1.21 110.999 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 803' ' ' CYS . . . . . 0.447 ' SG ' ' HG3' ' A' ' 805' ' ' LYS . 8.0 p -115.27 -31.77 5.87 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 112.942 0.719 . . . . 0.51000000000000001 112.942 -178.784 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 96.19 27.07 10.4 Favored Glycine 0 N--CA 1.444 -0.778 0 C-N-CA 120.104 -1.046 . . . . 0.27000000000000002 112.817 177.217 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 805' ' ' LYS . . . . . 0.447 ' HG3' ' SG ' ' A' ' 803' ' ' CYS . 68.8 mttm -75.91 123.73 26.18 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 110.142 -0.318 . . . . 2.73 110.142 176.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 806' ' ' TYR . . . . . . . . . . . . . 70.8 m-85 -86.66 123.99 32.45 Favored 'General case' 0 CA--C 1.512 -0.51 0 N-CA-C 108.429 -0.952 . . . . 1.22 108.429 176.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 807' ' ' ALA . . . . . 0.57 ' HB2' ' HD2' ' A' ' 808' ' ' PRO . . . -157.19 163.11 26.1 Favored Pre-proline 0 C--N 1.315 -0.892 0 CA-C-N 115.61 -0.723 . . . . 1.0800000000000001 110.176 -173.049 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 808' ' ' PRO . . . . . 0.57 ' HD2' ' HB2' ' A' ' 807' ' ' ALA . 35.1 Cg_endo -65.75 132.05 29.42 Favored 'Trans proline' 0 N--CA 1.457 -0.672 0 C-N-CA 122.019 1.813 . . . . 0.95999999999999996 111.179 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 809' ' ' ALA . . . . . . . . . . . . . . . -43.91 -28.01 0.41 Allowed 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 114.917 -1.038 . . . . 1.0600000000000001 112.756 178.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -57.92 -36.43 72.46 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 115.538 -0.756 . . . . 2.8599999999999999 111.13 178.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -82.02 -27.46 33.06 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 116.033 -0.531 . . . . 1.48 109.953 -173.798 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 812' ' ' PHE . . . . . 0.492 ' O ' ' HD2' ' A' ' 816' ' ' LYS . 54.2 m-85 -68.93 57.23 0.09 Allowed 'General case' 0 C--O 1.232 0.147 0 CA-C-O 121.775 0.798 . . . . 0.68999999999999995 112.259 175.466 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 49.3 mtt180 -80.09 17.28 1.03 Allowed 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 114.87 -1.059 . . . . 4.71 110.771 176.29 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . -91.55 36.41 3.65 Favored Glycine 0 N--CA 1.442 -0.918 0 N-CA-C 109.459 -1.456 . . . . 2.2000000000000002 109.459 163.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 20.8 m 59.37 42.37 18.15 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 123.41 0.684 . . . . 2.1699999999999999 111.943 -177.087 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 816' ' ' LYS . . . . . 0.492 ' HD2' ' O ' ' A' ' 812' ' ' PHE . 0.9 OUTLIER 53.25 56.17 7.79 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 115.478 -0.783 . . . . 2.21 111.072 171.948 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 817' ' ' ARG . . . . . 0.405 HH12 ' CD ' ' A' ' 801' ' ' GLU . 15.3 mmm180 -143.53 -42.25 0.29 Allowed 'General case' 0 C--N 1.314 -0.968 0 N-CA-C 107.56 -1.274 . . . . 3.73 107.56 -179.742 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 818' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -134.51 161.41 35.13 Favored 'General case' 0 N--CA 1.435 -1.223 0 CA-C-N 114.155 -1.384 . . . . 0.57999999999999996 108.361 175.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 819' ' ' CYS . . . . . 0.589 ' SG ' ' HB2' ' A' ' 800' ' ' CYS . 0.6 OUTLIER -67.88 -158.62 0.02 OUTLIER 'General case' 0 C--N 1.314 -0.961 0 N-CA-C 108.641 -0.874 . . . . 1.3600000000000001 108.641 171.9 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 19.6 p -67.84 -151.81 0.01 OUTLIER 'General case' 0 CA--C 1.553 1.086 0 CA-C-N 118.642 0.655 . . . . 1.76 112.697 -161.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 821' ' ' MET . . . . . 0.477 ' HE1' ' HA ' ' A' ' 821' ' ' MET . 3.3 mmt -70.18 -48.84 55.45 Favored 'General case' 0 C--N 1.328 -0.329 0 O-C-N 121.085 -1.009 . . . . 2.6000000000000001 112.431 -159.665 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 822' ' ' THR . . . . . . . . . . . . . 8.8 m -45.61 -50.6 13.1 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 123.61 0.569 . . . . 1.3300000000000001 111.944 175.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 823' ' ' CYS . . . . . . . . . . . . . 85.3 m -71.81 -53.36 13.57 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 113.026 0.75 . . . . 0.62 113.026 -176.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 824' ' ' ALA . . . . . . . . . . . . . . . -56.61 -47.59 79.3 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-O 120.507 0.194 . . . . 0.95999999999999996 111.477 -179.164 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 13.6 ptmm? -64.19 -31.93 73.32 Favored 'General case' 0 CA--C 1.522 -0.124 0 CA-C-N 116.716 -0.22 . . . . 2.9900000000000002 111.12 -176.027 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 70.3 ttt180 -72.69 -23.12 60.83 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 121.277 0.56 . . . . 4.1799999999999997 110.343 -174.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 827' ' ' TYR . . . . . 0.4 ' O ' ' HB2' ' A' ' 828' ' ' ASN . 70.3 t80 -85.39 -13.37 49.58 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.631 -0.713 . . . . 1.5600000000000001 109.296 175.755 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 828' ' ' ASN . . . . . 0.4 ' HB2' ' O ' ' A' ' 827' ' ' TYR . 0.9 OUTLIER . . . . . 0 C--O 1.246 0.91 0 CA-C-O 118.206 -0.902 . . . . 3.1000000000000001 110.795 177.604 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 829' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.569 0 N-CA-C 112.074 -0.41 . . . . 12.74 112.074 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 26.4 m -90.14 98.24 11.66 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 110.176 -0.305 . . . . 11.16 110.176 179.274 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.411 ' O ' ' HD2' ' A' ' 793' ' ' LYS . 79.7 ttt180 -94.74 -39.58 10.22 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.329 -0.619 . . . . 13.42 109.329 176.457 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 783' ' ' GLY . . . . . 0.698 ' HA3' ' HD3' ' A' ' 793' ' ' LYS . . . 163.74 112.32 0.27 Allowed Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.973 -0.632 . . . . 8.5 112.458 178.439 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 784' ' ' VAL . . . . . . . . . . . . . 41.2 t -97.83 89.75 2.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 110.14 -0.319 . . . . 10.69 110.14 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 37.3 t70 66.2 113.81 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.547 0 O-C-N 124.199 0.937 . . . . 11.27 111.379 -179.259 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 786' ' ' SER . . . . . . . . . . . . . 34.5 m -54.46 120.49 26.93 Favored Pre-proline 0 C--N 1.326 -0.452 0 CA-C-N 115.766 -0.652 . . . . 9.1699999999999999 111.795 -177.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 787' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_endo -76.11 -9.79 19.3 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.761 2.308 . . . . 11.58 112.063 178.49 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 788' ' ' SER . . . . . . . . . . . . . 70.9 m -158.13 147.9 19.89 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.38 -0.827 . . . . 10.779999999999999 108.978 179.212 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -78.31 -42.34 31.07 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.217 -0.447 . . . . 9.4100000000000001 111.375 -176.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 790' ' ' GLU . . . . . . . . . . . . . 50.2 mm-40 -84.6 -50.44 7.68 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.266 0.555 . . . . 9.3399999999999999 109.693 177.286 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 791' ' ' LEU . . . . . 0.672 HD11 ' HG2' ' A' ' 810' ' ' GLU . 92.4 mt -82.93 50.35 1.7 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.522 -0.763 . . . . 9.25 110.176 177.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 792' ' ' ASP . . . . . 0.479 ' C ' ' H ' ' A' ' 794' ' ' LYS . 8.2 t70 -67.84 93.07 0.38 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.684 -0.689 . . . . 7.0999999999999996 110.864 -179.769 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 793' ' ' LYS . . . . . 0.698 ' HD3' ' HA3' ' A' ' 783' ' ' GLY . 35.6 mtmm 69.22 -4.85 1.19 Allowed 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.725 -0.67 . . . . 6.6299999999999999 111.645 173.615 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 794' ' ' LYS . . . . . 0.611 ' HZ2' ' HB2' ' A' ' 794' ' ' LYS . 0.1 OUTLIER 75.71 115.7 0.06 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 114.603 -1.181 . . . . 6.8600000000000003 110.94 179.661 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -167.04 56.73 0.08 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 122.085 0.945 . . . . 2.0600000000000001 109.461 -178.001 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 796' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -158.19 59.53 0.46 Allowed 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 114.205 -1.361 . . . . 1.6799999999999999 107.538 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 797' ' ' LEU . . . . . . . . . . . . . 11.5 mt -94.8 148.69 22.03 Favored 'General case' 0 N--CA 1.441 -0.878 0 CA-C-O 121.843 0.83 . . . . 1.3200000000000001 111.502 -165.241 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 798' ' ' LEU . . . . . 0.652 HD11 ' N ' ' A' ' 799' ' ' LYS . 3.1 pp -147.32 179.9 7.32 Favored 'General case' 0 C--N 1.31 -1.118 0 N-CA-C 104.444 -2.428 . . . . 1.99 104.444 171.039 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 799' ' ' LYS . . . . . 0.652 ' N ' HD11 ' A' ' 798' ' ' LEU . 0.1 OUTLIER -144.17 141.12 29.75 Favored 'General case' 0 C--N 1.316 -0.881 0 C-N-CA 116.332 -2.147 . . . . 2.3799999999999999 115.08 -173.366 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 800' ' ' CYS . . . . . 0.547 ' HB2' ' SG ' ' A' ' 819' ' ' CYS . 47.3 t -46.02 103.05 0.03 OUTLIER 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 110.907 -2.86 . . . . 0.40999999999999998 112.41 175.036 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -69.72 21.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 113.439 0.903 . . . . 2.4199999999999999 113.439 -177.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 802' ' ' TYR . . . . . 0.431 ' H ' ' C ' ' A' ' 800' ' ' CYS . 85.8 t80 -108.14 -51.95 2.83 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.806 0.336 . . . . 1.21 110.157 169.75 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 6.4 p -107.42 -24.32 11.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.671 -0.24 . . . . 0.51000000000000001 111.332 -177.575 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 92.36 17.27 46.83 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.653 -0.784 . . . . 0.27000000000000002 113.371 169.468 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 805' ' ' LYS . . . . . 0.445 ' O ' ' HB2' ' A' ' 799' ' ' LYS . 88.0 mttt -84.98 133.07 34.27 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.66 -0.416 . . . . 2.73 110.969 -178.705 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 806' ' ' TYR . . . . . . . . . . . . . 67.2 m-85 -88.82 136.11 33.18 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.621 -0.718 . . . . 1.22 110.201 -178.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 807' ' ' ALA . . . . . 0.621 ' HB3' ' HD2' ' A' ' 808' ' ' PRO . . . -160.84 167.11 14.18 Favored Pre-proline 0 C--N 1.321 -0.636 0 CA-C-N 114.901 -1.045 . . . . 1.0800000000000001 109.712 -174.327 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 808' ' ' PRO . . . . . 0.621 ' HD2' ' HB3' ' A' ' 807' ' ' ALA . 29.8 Cg_endo -64.25 129.82 25.26 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 121.969 1.779 . . . . 0.95999999999999996 111.427 178.496 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 809' ' ' ALA . . . . . . . . . . . . . . . -45.48 -27.07 0.66 Allowed 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 115.132 -0.94 . . . . 1.0600000000000001 112.575 179.341 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 810' ' ' GLU . . . . . 0.672 ' HG2' HD11 ' A' ' 791' ' ' LEU . 2.4 tp10 -63.6 -27.78 69.48 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 114.981 -1.009 . . . . 2.8599999999999999 111.826 -179.064 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -73.02 -29.11 62.77 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.028 0.442 . . . . 1.48 109.892 -177.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 812' ' ' PHE . . . . . 0.871 ' HB2' ' HD3' ' A' ' 816' ' ' LYS . 43.4 m-85 -73.24 66.3 0.89 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.573 -0.74 . . . . 0.68999999999999995 111.917 -177.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 24.1 mmt180 -77.81 -36.11 50.59 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.778 -0.647 . . . . 4.71 110.796 175.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 814' ' ' GLY . . . . . 0.434 ' O ' ' HB3' ' A' ' 815' ' ' SER . . . -84.25 56.72 5.04 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.725 -0.75 . . . . 2.2000000000000002 111.247 177.128 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 815' ' ' SER . . . . . 0.434 ' HB3' ' O ' ' A' ' 814' ' ' GLY . 33.6 t 76.49 141.9 0.07 Allowed 'General case' 0 CA--C 1.531 0.213 0 CA-C-O 121.528 0.68 . . . . 2.1699999999999999 110.467 -174.223 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 816' ' ' LYS . . . . . 0.871 ' HD3' ' HB2' ' A' ' 812' ' ' PHE . 4.9 tppt? -75.01 15.98 0.35 Allowed 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 115.266 -0.879 . . . . 2.21 111.602 -173.086 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 817' ' ' ARG . . . . . 0.436 ' O ' ' HA ' ' A' ' 800' ' ' CYS . 70.6 mtm180 -95.89 -30.09 13.84 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 123.178 0.591 . . . . 3.73 111.125 -178.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 818' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -136.57 140.03 42.6 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 110.351 -0.24 . . . . 0.57999999999999996 110.351 -170.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 819' ' ' CYS . . . . . 0.547 ' SG ' ' HB2' ' A' ' 800' ' ' CYS . 0.8 OUTLIER -72.5 100.01 2.63 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 120.803 -0.359 . . . . 1.3600000000000001 110.569 -175.098 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 8.6 t 82.5 -165.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.924 -1.139 . . . . 1.76 107.924 168.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 821' ' ' MET . . . . . 0.631 ' O ' ' HG2' ' A' ' 825' ' ' LYS . 2.5 mpt? -91.04 -40.76 11.45 Favored 'General case' 0 C--O 1.22 -0.489 0 CA-C-N 119.775 1.171 . . . . 2.6000000000000001 113.004 -177.711 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 822' ' ' THR . . . . . . . . . . . . . 25.7 m -47.09 -44.23 21.05 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 118.475 0.579 . . . . 1.3300000000000001 111.599 175.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 823' ' ' CYS . . . . . 0.453 ' HB2' ' O ' ' A' ' 819' ' ' CYS . 25.7 m -73.91 -40.1 63.39 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-O 120.854 0.359 . . . . 0.62 111.684 177.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 824' ' ' ALA . . . . . . . . . . . . . . . -58.46 -41.73 85.85 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.769 -0.651 . . . . 0.95999999999999996 111.526 178.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 825' ' ' LYS . . . . . 0.631 ' HG2' ' O ' ' A' ' 821' ' ' MET . 13.3 mmmm -63.2 -39.08 93.62 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-O 121.958 0.885 . . . . 2.9900000000000002 110.342 179.03 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 826' ' ' ARG . . . . . 0.749 ' HA ' ' HE ' ' A' ' 826' ' ' ARG . 0.3 OUTLIER -66.36 -21.47 66.24 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 114.018 -1.446 . . . . 4.1799999999999997 110.755 -172.012 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 827' ' ' TYR . . . . . . . . . . . . . 23.5 t80 -57.96 -43.49 86.49 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.613 -0.721 . . . . 1.5600000000000001 111.122 176.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 828' ' ' ASN . . . . . 0.591 ' N ' HD21 ' A' ' 828' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.039 0 CA-C-N 115.245 -0.888 . . . . 3.1000000000000001 110.616 -173.434 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 829' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.853 0 N-CA-C 112.142 -0.383 . . . . 12.74 112.142 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 95.2 m -75.38 114.12 13.54 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.074 0.464 . . . . 11.16 111.058 -177.117 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 82.9 mtt180 -111.48 78.89 1.15 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.716 -0.675 . . . . 13.42 109.431 175.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -102.08 23.51 34.28 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.749 -0.738 . . . . 8.5 112.116 -176.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 784' ' ' VAL . . . . . . . . . . . . . 45.0 t -116.9 93.25 2.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 109.797 -0.446 . . . . 10.69 109.797 -179.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 19.2 t70 61.26 79.24 0.26 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.508 -0.769 . . . . 11.27 110.741 178.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 786' ' ' SER . . . . . 0.409 ' O ' ' HB2' ' A' ' 790' ' ' GLU . 66.6 m -147.12 121.57 5.13 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 115.75 -0.659 . . . . 9.1699999999999999 110.871 -177.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 787' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -68.27 -24.06 38.08 Favored 'Trans proline' 0 CA--C 1.533 0.432 0 C-N-CA 122.813 2.342 . . . . 11.58 113.157 -176.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 788' ' ' SER . . . . . . . . . . . . . 70.1 m -109.66 -41.65 4.5 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.022 0.439 . . . . 10.779999999999999 110.839 177.215 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -85.2 10.37 12.52 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.554 0.575 . . . . 9.4100000000000001 112.554 -171.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 790' ' ' GLU . . . . . 0.409 ' HB2' ' O ' ' A' ' 786' ' ' SER . 30.5 mt-10 -117.98 13.12 13.89 Favored 'General case' 0 CA--C 1.512 -0.516 0 C-N-CA 120.966 -0.294 . . . . 9.3399999999999999 111.265 173.179 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 791' ' ' LEU . . . . . . . . . . . . . 82.6 mt -78.53 6.67 8.1 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.741 0.781 . . . . 9.25 110.554 -177.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -108.17 22.23 16.24 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 114.387 -1.279 . . . . 7.0999999999999996 109.714 175.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 793' ' ' LYS . . . . . . . . . . . . . 26.6 ttpp -160.84 -48.91 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.736 -0.666 . . . . 6.6299999999999999 110.032 -172.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm -90.41 34.76 0.87 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.179 -0.464 . . . . 6.8600000000000003 111.296 178.142 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -73.29 -87.2 0.03 OUTLIER 'General case' 0 N--CA 1.444 -0.736 0 N-CA-C 109.397 -0.594 . . . . 2.0600000000000001 109.397 179.019 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 796' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 33.9 54.2 0.54 Allowed 'General case' 0 N--CA 1.468 0.464 0 O-C-N 124.444 1.09 . . . . 1.6799999999999999 111.506 178.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 797' ' ' LEU . . . . . . . . . . . . . 18.8 mt -87.36 150.88 23.54 Favored 'General case' 0 N--CA 1.441 -0.88 0 CA-C-O 121.607 0.717 . . . . 1.3200000000000001 110.532 -171.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 798' ' ' LEU . . . . . 0.499 ' C ' HD21 ' A' ' 798' ' ' LEU . 0.0 OUTLIER -149.94 177.0 10.25 Favored 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 105.259 -2.126 . . . . 1.99 105.259 170.428 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 799' ' ' LYS . . . . . 0.592 ' HD3' ' CZ ' ' A' ' 806' ' ' TYR . 23.0 pttm -137.21 141.56 42.1 Favored 'General case' 0 C--N 1.317 -0.829 0 C-N-CA 117.161 -1.816 . . . . 2.3799999999999999 113.29 -174.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 800' ' ' CYS . . . . . 0.521 ' HA ' ' HA ' ' A' ' 818' ' ' PHE . 36.1 t -45.95 110.54 0.27 Allowed 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 111.488 -2.596 . . . . 0.40999999999999998 111.562 174.244 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 801' ' ' GLU . . . . . 0.51 ' HB3' ' CE1' ' A' ' 818' ' ' PHE . 21.1 tt0 -61.11 0.14 0.27 Allowed 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.061 0.544 . . . . 2.4199999999999999 112.412 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 802' ' ' TYR . . . . . 0.433 ' H ' ' C ' ' A' ' 800' ' ' CYS . 66.2 t80 -98.66 -48.38 4.99 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 121.831 -0.543 . . . . 1.21 110.025 -178.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 4.9 p -116.28 -27.02 6.97 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 113.276 0.843 . . . . 0.51000000000000001 113.276 -178.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 804' ' ' GLY . . . . . 0.435 ' HA2' ' HD2' ' A' ' 799' ' ' LYS . . . 96.35 19.78 27.0 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 119.835 -1.174 . . . . 0.27000000000000002 113.171 175.025 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 805' ' ' LYS . . . . . 0.464 ' HZ2' ' HB3' ' A' ' 805' ' ' LYS . 2.2 mmmp? -78.09 127.18 31.92 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.795 0.298 . . . . 2.73 110.286 179.09 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 806' ' ' TYR . . . . . 0.592 ' CZ ' ' HD3' ' A' ' 799' ' ' LYS . 96.8 m-85 -87.82 133.43 33.89 Favored 'General case' 0 CA--C 1.515 -0.388 0 N-CA-C 109.361 -0.607 . . . . 1.22 109.361 178.747 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -157.51 157.39 30.0 Favored Pre-proline 0 C--N 1.318 -0.764 0 CA-C-N 115.59 -0.732 . . . . 1.0800000000000001 110.047 -173.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 808' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -62.65 128.93 24.72 Favored 'Trans proline' 0 N--CA 1.459 -0.539 0 C-N-CA 122.448 2.099 . . . . 0.95999999999999996 109.737 176.088 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 809' ' ' ALA . . . . . . . . . . . . . . . -41.68 -24.69 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 114.52 1.304 . . . . 1.0600000000000001 114.52 -176.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -62.34 -28.42 69.74 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 111.926 0.343 . . . . 2.8599999999999999 111.926 178.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.45 -1.4 57.01 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.865 0.84 . . . . 1.48 109.37 -173.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 812' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -96.53 67.61 2.44 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.137 -0.938 . . . . 0.68999999999999995 109.495 -177.087 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 10.5 mmm180 -74.45 138.11 43.05 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.242 -1.344 . . . . 4.71 110.432 178.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 99.18 -41.39 2.21 Favored Glycine 0 N--CA 1.443 -0.849 0 N-CA-C 111.195 -0.762 . . . . 2.2000000000000002 111.195 -179.552 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 26.5 t -175.49 137.04 0.36 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.432 -0.581 . . . . 2.1699999999999999 109.432 178.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 70.2 mmtt -76.08 55.04 0.9 Allowed 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 121.348 0.594 . . . . 2.21 109.453 177.355 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 817' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -147.52 -30.34 0.32 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.964 -1.016 . . . . 3.73 109.298 -172.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 818' ' ' PHE . . . . . 0.521 ' HA ' ' HA ' ' A' ' 800' ' ' CYS . 93.6 m-85 -134.13 149.0 51.05 Favored 'General case' 0 N--CA 1.436 -1.131 0 N-CA-C 107.63 -1.248 . . . . 0.57999999999999996 107.63 174.824 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 819' ' ' CYS . . . . . 0.458 ' SG ' ' HB2' ' A' ' 800' ' ' CYS . 1.4 p -68.7 -159.23 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 108.627 -0.879 . . . . 1.3600000000000001 108.627 173.62 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 15.5 p -62.64 -123.1 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 115.145 1.535 . . . . 1.76 115.145 -157.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 821' ' ' MET . . . . . 0.462 ' HA ' ' HE3' ' A' ' 821' ' ' MET . 4.0 mmt -84.25 -54.23 4.95 Favored 'General case' 0 C--N 1.321 -0.661 0 O-C-N 120.907 -1.12 . . . . 2.6000000000000001 111.604 -161.002 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 822' ' ' THR . . . . . . . . . . . . . 86.0 m -44.66 -55.98 4.78 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 123.878 0.736 . . . . 1.3300000000000001 111.78 177.299 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 823' ' ' CYS . . . . . . . . . . . . . 98.1 m -69.3 -53.98 16.97 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 113.632 0.975 . . . . 0.62 113.632 -172.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 824' ' ' ALA . . . . . . . . . . . . . . . -59.67 -43.61 93.92 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 120.96 -0.296 . . . . 0.95999999999999996 111.696 -177.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 825' ' ' LYS . . . . . 0.405 ' HG2' ' O ' ' A' ' 821' ' ' MET . 54.9 pttt -71.35 -35.81 71.28 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.833 -0.347 . . . . 2.9900000000000002 111.494 -178.273 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 1.9 tpm_? -73.5 -21.18 60.48 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.026 0.441 . . . . 4.1799999999999997 110.435 -173.081 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 827' ' ' TYR . . . . . . . . . . . . . 33.9 t80 -82.85 12.2 5.13 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.271 -0.422 . . . . 1.5600000000000001 110.972 -178.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 828' ' ' ASN . . . . . . . . . . . . . 6.6 p30 . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.255 -0.879 . . . . 3.1000000000000001 109.652 175.555 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 829' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.639 0 N-CA-C 112.323 -0.311 . . . . 12.74 112.323 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.531 ' HA ' ' HB3' ' A' ' 791' ' ' LEU . 3.7 m 58.69 52.52 6.71 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-O 121.486 0.66 . . . . 11.16 110.665 179.546 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 22.5 tpp180 -146.68 103.23 3.63 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.112 -0.494 . . . . 13.42 110.789 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -137.56 158.59 24.57 Favored Glycine 0 N--CA 1.443 -0.843 0 N-CA-C 111.107 -0.797 . . . . 8.5 111.107 175.187 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 784' ' ' VAL . . . . . . . . . . . . . 39.1 t -70.4 -67.3 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 109.701 -0.481 . . . . 10.69 109.701 179.206 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -151.22 72.94 1.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.771 -0.825 . . . . 11.27 108.771 174.017 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 786' ' ' SER . . . . . . . . . . . . . 14.6 m -113.03 120.07 41.25 Favored Pre-proline 0 C--N 1.319 -0.734 0 CA-C-N 115.641 -0.709 . . . . 9.1699999999999999 111.474 -173.066 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 787' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -83.24 -14.97 8.04 Favored 'Trans proline' 0 N--CA 1.461 -0.431 0 C-N-CA 122.855 2.37 . . . . 11.58 111.196 171.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 788' ' ' SER . . . . . . . . . . . . . 6.6 p -90.11 179.37 5.95 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.506 -0.77 . . . . 10.779999999999999 110.4 179.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -83.0 52.27 2.13 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.082 0.468 . . . . 9.4100000000000001 111.297 -176.139 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 790' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -87.95 8.75 24.87 Favored 'General case' 0 CA--C 1.516 -0.355 0 CA-C-N 116.16 -0.473 . . . . 9.3399999999999999 111.514 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 791' ' ' LEU . . . . . 0.531 ' HB3' ' HA ' ' A' ' 2' ' ' THR . 81.5 mt -79.96 7.23 9.35 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.218 0.532 . . . . 9.25 110.565 -176.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -113.38 7.33 17.59 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.101 -0.954 . . . . 7.0999999999999996 109.783 -179.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 793' ' ' LYS . . . . . . . . . . . . . 50.7 mtpt -72.79 -18.94 61.43 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.329 -0.85 . . . . 6.6299999999999999 111.829 -178.139 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 794' ' ' LYS . . . . . 0.402 ' HE2' ' OD1' ' A' ' 796' ' ' ASN . 14.0 mmmm -74.36 117.43 16.16 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.415 0.626 . . . . 6.8600000000000003 110.282 -178.837 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -159.08 30.03 0.21 Allowed 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 114.95 -1.023 . . . . 2.0600000000000001 109.587 179.104 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 796' ' ' ASN . . . . . 0.402 ' OD1' ' HE2' ' A' ' 794' ' ' LYS . 0.8 OUTLIER -82.49 89.11 6.61 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.448 -1.251 . . . . 1.6799999999999999 109.375 174.685 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 797' ' ' LEU . . . . . . . . . . . . . 28.6 mt -93.08 144.66 25.05 Favored 'General case' 0 N--CA 1.44 -0.972 0 CA-C-O 121.18 0.514 . . . . 1.3200000000000001 110.716 -171.199 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 798' ' ' LEU . . . . . 0.483 HD12 ' N ' ' A' ' 799' ' ' LYS . 0.7 OUTLIER -143.0 176.47 9.06 Favored 'General case' 0 C--N 1.305 -1.362 0 N-CA-C 104.309 -2.478 . . . . 1.99 104.309 171.341 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 799' ' ' LYS . . . . . 0.483 ' N ' HD12 ' A' ' 798' ' ' LEU . 18.6 pttp -141.54 151.67 43.43 Favored 'General case' 0 N--CA 1.438 -1.065 0 C-N-CA 116.432 -2.107 . . . . 2.3799999999999999 113.891 -173.191 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 800' ' ' CYS . . . . . 0.559 ' C ' ' H ' ' A' ' 802' ' ' TYR . 52.6 t -51.64 100.83 0.03 OUTLIER 'General case' 0 N--CA 1.436 -1.158 0 CA-C-N 111.628 -2.533 . . . . 0.40999999999999998 110.365 172.471 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -65.43 23.79 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.392 0.516 . . . . 2.4199999999999999 112.392 178.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 802' ' ' TYR . . . . . 0.559 ' H ' ' C ' ' A' ' 800' ' ' CYS . 30.2 t80 -108.86 -85.11 0.54 Allowed 'General case' 0 N--CA 1.442 -0.83 0 N-CA-C 107.952 -1.129 . . . . 1.21 107.952 165.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 3.8 p -65.25 -39.28 92.47 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 113.098 0.777 . . . . 0.51000000000000001 113.098 177.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 804' ' ' GLY . . . . . 0.437 ' CA ' ' HD2' ' A' ' 799' ' ' LYS . . . 97.49 26.62 9.82 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.219 -0.991 . . . . 0.27000000000000002 113.189 179.05 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 805' ' ' LYS . . . . . . . . . . . . . 30.0 mtpp -84.83 128.78 34.77 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.925 0.362 . . . . 2.73 110.198 178.377 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 806' ' ' TYR . . . . . 0.46 ' CZ ' ' HD3' ' A' ' 799' ' ' LYS . 83.3 m-85 -87.11 134.47 33.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.87 0.366 . . . . 1.22 110.126 -178.006 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -157.53 159.61 30.66 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 115.568 -0.742 . . . . 1.0800000000000001 109.754 -175.103 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 808' ' ' PRO . . . . . 0.483 ' HB2' ' HG2' ' A' ' 810' ' ' GLU . 37.3 Cg_exo -62.17 128.61 24.45 Favored 'Trans proline' 0 N--CA 1.462 -0.375 0 C-N-CA 122.12 1.88 . . . . 0.95999999999999996 111.629 178.453 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 809' ' ' ALA . . . . . . . . . . . . . . . -41.7 -27.1 0.09 Allowed 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 114.264 1.209 . . . . 1.0600000000000001 114.264 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 810' ' ' GLU . . . . . 0.483 ' HG2' ' HB2' ' A' ' 808' ' ' PRO . 1.3 pm0 -60.89 -24.93 66.35 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.297 0.481 . . . . 2.8599999999999999 112.297 179.219 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 811' ' ' GLN . . . . . 0.432 ' O ' ' HG2' ' A' ' 811' ' ' GLN . 5.4 tt0 -83.75 -5.17 59.13 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 121.464 0.649 . . . . 1.48 110.026 -177.633 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 812' ' ' PHE . . . . . 0.662 ' HB3' ' HA ' ' A' ' 816' ' ' LYS . 56.0 m-85 -96.59 48.08 1.07 Allowed 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.678 0.752 . . . . 0.68999999999999995 110.02 -171.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 65.3 mtp180 -81.65 -4.79 57.11 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.097 -0.956 . . . . 4.71 110.792 179.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 814' ' ' GLY . . . . . 0.451 ' O ' ' HB2' ' A' ' 815' ' ' SER . . . -96.65 48.37 1.66 Allowed Glycine 0 N--CA 1.446 -0.649 0 N-CA-C 109.959 -1.256 . . . . 2.2000000000000002 109.959 168.765 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 815' ' ' SER . . . . . 0.451 ' HB2' ' O ' ' A' ' 814' ' ' GLY . 74.8 m 71.14 141.71 0.05 Allowed 'General case' 0 C--O 1.234 0.253 0 CA-C-O 121.525 0.679 . . . . 2.1699999999999999 110.485 -169.379 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 816' ' ' LYS . . . . . 0.662 ' HA ' ' HB3' ' A' ' 812' ' ' PHE . 33.0 mmtp -75.39 58.95 1.02 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.639 -0.71 . . . . 2.21 110.086 -177.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 817' ' ' ARG . . . . . . . . . . . . . 29.3 mtm180 -140.86 -36.41 0.46 Allowed 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.08 -0.711 . . . . 3.73 109.08 -173.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 818' ' ' PHE . . . . . 0.536 ' HA ' ' HA ' ' A' ' 800' ' ' CYS . 77.5 m-85 -133.81 159.1 41.63 Favored 'General case' 0 N--CA 1.44 -0.929 0 N-CA-C 108.829 -0.804 . . . . 0.57999999999999996 108.829 -179.706 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 819' ' ' CYS . . . . . 0.55 ' SG ' ' HB2' ' A' ' 800' ' ' CYS . 0.5 OUTLIER -68.28 -161.17 0.03 OUTLIER 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 108.864 -0.791 . . . . 1.3600000000000001 108.864 171.797 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 22.8 t -67.8 -116.67 0.0 OUTLIER 'General case' 0 CA--C 1.547 0.865 0 N-CA-C 113.19 0.811 . . . . 1.76 113.19 -158.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 821' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -85.27 -61.54 1.74 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 120.54 -1.35 . . . . 2.6000000000000001 112.054 -166.818 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 822' ' ' THR . . . . . . . . . . . . . 10.0 m -45.93 -49.05 16.16 Favored 'General case' 0 C--N 1.32 -0.684 0 O-C-N 123.721 0.638 . . . . 1.3300000000000001 112.489 -179.037 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 823' ' ' CYS . . . . . . . . . . . . . 84.5 m -74.5 -44.75 49.91 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 114.23 1.196 . . . . 0.62 114.23 -175.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 824' ' ' ALA . . . . . 0.439 ' O ' ' HB3' ' A' ' 827' ' ' TYR . . . -60.57 -36.34 78.24 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 118.788 0.722 . . . . 0.95999999999999996 109.874 173.779 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 63.6 tttt -62.73 -39.27 93.56 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 115.748 -0.66 . . . . 2.9900000000000002 111.234 172.241 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 73.5 ttt180 -68.79 -24.22 64.38 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.232 -0.895 . . . . 4.1799999999999997 111.105 -175.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 827' ' ' TYR . . . . . 0.439 ' HB3' ' O ' ' A' ' 824' ' ' ALA . 14.3 t80 -57.67 -28.69 64.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.37 -0.832 . . . . 1.5600000000000001 111.292 175.085 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 828' ' ' ASN . . . . . . . . . . . . . 12.6 m120 . . . . . 0 C--O 1.249 1.033 0 CA-C-N 115.008 -0.997 . . . . 3.1000000000000001 109.871 -175.28 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 829' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.784 0 N-CA-C 112.382 -0.287 . . . . 12.74 112.382 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.9 t -144.14 -179.02 6.24 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.707 -0.479 . . . . 11.16 109.707 178.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 52.1 mtt180 -132.41 151.07 52.02 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 110.312 -0.255 . . . . 13.42 110.312 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . 80.83 161.89 26.79 Favored Glycine 0 N--CA 1.447 -0.616 0 CA-C-N 115.852 -0.613 . . . . 8.5 113.322 172.17 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 784' ' ' VAL . . . . . . . . . . . . . 58.1 t -94.96 -41.63 12.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 121.5 0.666 . . . . 10.69 109.221 176.138 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -125.75 80.35 1.89 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.111 -0.949 . . . . 11.27 109.569 175.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 786' ' ' SER . . . . . . . . . . . . . 43.4 m -135.7 121.41 13.85 Favored Pre-proline 0 C--N 1.321 -0.658 0 CA-C-N 116.122 -0.49 . . . . 9.1699999999999999 110.489 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 787' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_exo -66.77 -49.14 1.67 Allowed 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 123.176 2.584 . . . . 11.58 111.947 177.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 788' ' ' SER . . . . . 0.512 ' HB3' ' HB2' ' A' ' 791' ' ' LEU . 29.2 t -94.81 137.45 33.88 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.046 -0.525 . . . . 10.779999999999999 110.063 176.575 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -78.5 -10.88 59.89 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.834 -0.621 . . . . 9.4100000000000001 111.062 178.151 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 790' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -104.35 -40.99 5.89 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.13 0.491 . . . . 9.3399999999999999 110.437 176.181 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 791' ' ' LEU . . . . . 0.512 ' HB2' ' HB3' ' A' ' 788' ' ' SER . 3.7 mm? -93.4 57.95 2.72 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.847 -0.615 . . . . 9.25 109.483 176.819 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -74.12 74.44 1.75 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.735 -0.666 . . . . 7.0999999999999996 111.912 -176.171 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 793' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp 70.74 -71.21 0.13 Allowed 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 115.551 -0.749 . . . . 6.6299999999999999 110.942 178.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 69.2 mmtt 67.61 -73.28 0.08 Allowed 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 123.534 0.734 . . . . 6.8600000000000003 112.395 175.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . 60.65 33.77 20.23 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.467 0.651 . . . . 2.0600000000000001 110.116 -171.125 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 796' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -78.67 89.32 4.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.383 -0.826 . . . . 1.6799999999999999 110.071 176.06 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 797' ' ' LEU . . . . . . . . . . . . . 18.0 mt -93.16 148.28 22.15 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.505 -0.771 . . . . 1.3200000000000001 109.967 -177.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 798' ' ' LEU . . . . . 0.518 HD23 ' C ' ' A' ' 798' ' ' LEU . 0.0 OUTLIER -146.94 142.22 27.33 Favored 'General case' 0 C--N 1.311 -1.078 0 N-CA-C 107.138 -1.43 . . . . 1.99 107.138 173.558 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 799' ' ' LYS . . . . . 0.445 ' HD3' ' CZ ' ' A' ' 806' ' ' TYR . 22.1 pttm -100.26 135.61 41.43 Favored 'General case' 0 C--N 1.319 -0.741 0 C-N-CA 118.329 -1.348 . . . . 2.3799999999999999 113.372 -165.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 800' ' ' CYS . . . . . . . . . . . . . 1.8 t -47.38 112.03 0.49 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 112.816 -1.993 . . . . 0.40999999999999998 112.051 174.487 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -68.02 21.45 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 114.121 1.156 . . . . 2.4199999999999999 114.121 -177.351 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 802' ' ' TYR . . . . . . . . . . . . . 59.5 t80 -110.56 -41.2 4.39 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 121.633 -0.667 . . . . 1.21 109.795 169.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 7.5 p -114.22 -33.22 5.73 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.41 0.522 . . . . 0.51000000000000001 112.41 -177.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 804' ' ' GLY . . . . . 0.404 ' C ' ' HB2' ' A' ' 799' ' ' LYS . . . 96.65 20.0 25.69 Favored Glycine 0 N--CA 1.444 -0.77 0 C-N-CA 120.383 -0.913 . . . . 0.27000000000000002 111.528 178.552 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 805' ' ' LYS . . . . . . . . . . . . . 9.8 ttmm -84.77 132.28 34.45 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.535 -0.543 . . . . 2.73 109.535 -176.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 806' ' ' TYR . . . . . 0.445 ' CZ ' ' HD3' ' A' ' 799' ' ' LYS . 38.4 m-85 -85.4 131.19 34.43 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.475 0.655 . . . . 1.22 110.319 -177.699 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -152.01 153.2 31.08 Favored Pre-proline 0 C--N 1.317 -0.821 0 CA-C-N 114.624 -1.171 . . . . 1.0800000000000001 109.637 -177.277 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 808' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_exo -64.53 129.48 23.88 Favored 'Trans proline' 0 N--CA 1.455 -0.782 0 C-N-CA 122.222 1.948 . . . . 0.95999999999999996 110.839 178.151 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 809' ' ' ALA . . . . . 0.427 ' HB2' ' CE ' ' A' ' 816' ' ' LYS . . . -41.08 -26.22 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 114.108 1.151 . . . . 1.0600000000000001 114.108 179.678 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -61.9 -25.34 67.51 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.819 0.674 . . . . 2.8599999999999999 112.819 179.295 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -83.05 -4.18 58.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.488 0.661 . . . . 1.48 109.98 -177.122 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 812' ' ' PHE . . . . . 0.593 ' HB3' ' HA ' ' A' ' 816' ' ' LYS . 18.9 m-85 -96.03 49.35 1.14 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.582 0.706 . . . . 0.68999999999999995 109.919 -171.466 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 6.2 mmp_? -80.0 139.47 36.97 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.061 -0.972 . . . . 4.71 108.819 175.251 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 96.5 -53.51 1.51 Allowed Glycine 0 N--CA 1.446 -0.653 0 N-CA-C 111.178 -0.769 . . . . 2.2000000000000002 111.178 -174.362 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 815' ' ' SER . . . . . 0.44 ' C ' ' H ' ' A' ' 817' ' ' ARG . 77.4 p -158.02 131.9 7.93 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.735 0.302 . . . . 2.1699999999999999 110.72 177.769 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 816' ' ' LYS . . . . . 0.593 ' HA ' ' HB3' ' A' ' 812' ' ' PHE . 7.4 tptm -77.45 13.68 1.17 Allowed 'General case' 0 CA--C 1.534 0.332 0 CA-C-O 121.238 0.542 . . . . 2.21 110.289 177.419 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 817' ' ' ARG . . . . . 0.44 ' H ' ' C ' ' A' ' 815' ' ' SER . 17.8 mtp180 -95.34 -37.12 11.11 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 123.81 0.844 . . . . 3.73 110.527 -175.347 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 818' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -129.7 165.1 22.54 Favored 'General case' 0 N--CA 1.436 -1.167 0 N-CA-C 109.407 -0.59 . . . . 0.57999999999999996 109.407 -176.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 819' ' ' CYS . . . . . . . . . . . . . 1.2 p -68.24 -157.95 0.02 OUTLIER 'General case' 0 C--N 1.31 -1.128 0 N-CA-C 108.413 -0.958 . . . . 1.3600000000000001 108.413 168.131 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 16.2 p -68.65 -125.86 0.0 OUTLIER 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 113.283 0.846 . . . . 1.76 113.283 -160.306 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 821' ' ' MET . . . . . 0.658 ' O ' ' HG2' ' A' ' 825' ' ' LYS . 0.3 OUTLIER -82.09 -58.86 2.78 Favored 'General case' 0 C--N 1.32 -0.692 0 O-C-N 120.566 -1.334 . . . . 2.6000000000000001 111.584 -167.164 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 822' ' ' THR . . . . . . . . . . . . . 32.3 m -45.46 -49.08 13.77 Favored 'General case' 0 C--N 1.322 -0.607 0 O-C-N 123.767 0.667 . . . . 1.3300000000000001 112.236 -177.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 823' ' ' CYS . . . . . . . . . . . . . 5.4 t -73.19 -45.96 53.33 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.453 -0.499 . . . . 0.62 112.18 -173.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 824' ' ' ALA . . . . . . . . . . . . . . . -57.64 -38.0 74.29 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 120.727 -0.389 . . . . 0.95999999999999996 110.135 175.311 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 825' ' ' LYS . . . . . 0.658 ' HG2' ' O ' ' A' ' 821' ' ' MET . 13.6 mmmm -64.78 -36.48 84.46 Favored 'General case' 0 C--N 1.341 0.214 0 CA-C-O 121.509 0.671 . . . . 2.9900000000000002 110.993 175.005 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 17.8 tpt180 -68.65 -24.52 64.55 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 114.805 -1.089 . . . . 4.1799999999999997 111.519 -174.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 827' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -56.8 -28.7 61.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.217 0.532 . . . . 1.5600000000000001 110.526 175.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 828' ' ' ASN . . . . . . . . . . . . . 14.9 m120 . . . . . 0 C--O 1.246 0.909 0 CA-C-O 117.635 -1.174 . . . . 3.1000000000000001 110.342 -179.167 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 829' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.677 0 N-CA-C 111.877 -0.489 . . . . 12.74 111.877 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 22.4 m -81.33 100.46 9.22 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.864 0.364 . . . . 11.16 110.478 179.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 38.3 mtm180 -116.18 155.27 28.57 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.187 -0.46 . . . . 13.42 110.059 -179.452 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -74.35 100.32 1.16 Allowed Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.906 -0.664 . . . . 8.5 111.859 176.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 784' ' ' VAL . . . . . . . . . . . . . 32.9 t -128.71 78.01 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 109.092 -0.707 . . . . 10.69 109.092 177.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 51.72 40.68 28.01 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.853 -0.612 . . . . 11.27 110.7 -174.238 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 786' ' ' SER . . . . . 0.457 ' C ' ' H ' ' A' ' 788' ' ' SER . 14.2 m -68.08 134.39 91.67 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 115.382 -0.826 . . . . 9.1699999999999999 110.279 -179.236 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 787' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 786' ' ' SER . 13.4 Cg_exo -72.27 26.18 0.26 Allowed 'Trans proline' 0 CA--C 1.536 0.59 0 C-N-CA 123.523 2.816 . . . . 11.58 113.066 -179.275 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 788' ' ' SER . . . . . 0.457 ' H ' ' C ' ' A' ' 786' ' ' SER . 25.5 t -148.4 119.67 7.82 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.271 -1.011 . . . . 10.779999999999999 108.271 177.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -60.52 -32.29 71.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.758 -0.655 . . . . 9.4100000000000001 111.605 -173.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 790' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -57.55 -24.44 56.15 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 112.082 0.401 . . . . 9.3399999999999999 112.082 -179.096 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 791' ' ' LEU . . . . . 0.452 HD12 ' HB3' ' A' ' 786' ' ' SER . 96.6 mt -83.97 15.41 3.4 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.967 0.413 . . . . 9.25 111.494 -174.137 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 792' ' ' ASP . . . . . 0.419 ' O ' ' HB2' ' A' ' 793' ' ' LYS . 21.4 t70 -91.59 -1.06 57.62 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.557 0.694 . . . . 7.0999999999999996 109.305 175.653 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 793' ' ' LYS . . . . . 0.419 ' HB2' ' O ' ' A' ' 792' ' ' ASP . 75.3 mmtt 75.26 -69.32 0.18 Allowed 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 114.735 -1.121 . . . . 6.6299999999999999 110.986 -178.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 794' ' ' LYS . . . . . 0.659 ' HB2' HD23 ' A' ' 797' ' ' LEU . 0.1 OUTLIER -75.67 -45.67 35.72 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.247 -0.649 . . . . 6.8600000000000003 109.247 173.92 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 795' ' ' ALA . . . . . 0.442 ' H ' ' HG2' ' A' ' 794' ' ' LYS . . . 51.57 -94.77 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.145 0 N-CA-C 113.806 1.039 . . . . 2.0600000000000001 113.806 166.487 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 796' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -74.32 92.37 2.27 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.998 0.904 . . . . 1.6799999999999999 111.654 -176.107 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 797' ' ' LEU . . . . . 0.659 HD23 ' HB2' ' A' ' 794' ' ' LYS . 18.0 mt -102.93 141.11 36.28 Favored 'General case' 0 N--CA 1.438 -1.073 0 O-C-N 121.574 -0.704 . . . . 1.3200000000000001 109.289 -179.843 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 798' ' ' LEU . . . . . 0.495 ' C ' HD21 ' A' ' 798' ' ' LEU . 0.0 OUTLIER -144.72 143.22 30.59 Favored 'General case' 0 C--N 1.312 -1.05 0 N-CA-C 107.044 -1.465 . . . . 1.99 107.044 174.677 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 799' ' ' LYS . . . . . 0.412 ' HD3' ' CZ ' ' A' ' 806' ' ' TYR . 23.2 pttm -96.07 135.37 37.95 Favored 'General case' 0 N--CA 1.446 -0.642 0 C-N-CA 118.137 -1.425 . . . . 2.3799999999999999 113.408 -166.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 800' ' ' CYS . . . . . 0.526 ' HB2' ' SG ' ' A' ' 819' ' ' CYS . 46.6 t -43.44 106.21 0.06 Allowed 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 111.965 -2.38 . . . . 0.40999999999999998 111.308 170.65 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -66.46 13.31 0.05 Allowed 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 112.727 0.64 . . . . 2.4199999999999999 112.727 -176.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 802' ' ' TYR . . . . . 0.563 ' HD1' ' HD1' ' A' ' 827' ' ' TYR . 68.7 t80 -103.76 -46.89 4.38 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.669 -0.493 . . . . 1.21 109.669 175.554 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 6.7 p -115.92 -24.0 8.33 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 113.07 0.767 . . . . 0.51000000000000001 113.07 -179.073 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 94.52 15.89 45.06 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.093 -1.051 . . . . 0.27000000000000002 113.048 173.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 805' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -87.11 135.12 33.41 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 122.602 -0.352 . . . . 2.73 110.295 -179.272 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 806' ' ' TYR . . . . . 0.412 ' CZ ' ' HD3' ' A' ' 799' ' ' LYS . 84.8 m-85 -85.48 134.33 34.05 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.072 0.463 . . . . 1.22 110.655 -178.33 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 807' ' ' ALA . . . . . 0.422 ' HB1' ' HD2' ' A' ' 808' ' ' PRO . . . -154.93 158.01 32.05 Favored Pre-proline 0 C--N 1.321 -0.665 0 CA-C-N 114.992 -1.004 . . . . 1.0800000000000001 109.819 -178.24 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 808' ' ' PRO . . . . . 0.422 ' HD2' ' HB1' ' A' ' 807' ' ' ALA . 44.0 Cg_endo -68.28 130.29 20.94 Favored 'Trans proline' 0 N--CA 1.461 -0.413 0 C-N-CA 122.391 2.061 . . . . 0.95999999999999996 111.323 -178.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 809' ' ' ALA . . . . . . . . . . . . . . . -44.46 -28.88 0.62 Allowed 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 115.059 -0.973 . . . . 1.0600000000000001 113.566 -179.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 -57.25 -33.34 67.48 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 116.043 -0.526 . . . . 2.8599999999999999 111.329 178.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 20.7 tt0 -77.89 -26.8 49.36 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.946 -0.57 . . . . 1.48 110.215 -177.123 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 812' ' ' PHE . . . . . 0.6 ' HB3' ' HA ' ' A' ' 816' ' ' LYS . 24.0 m-85 -69.0 62.5 0.11 Allowed 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.913 0.708 . . . . 0.68999999999999995 112.913 178.4 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 813' ' ' ARG . . . . . 0.499 ' HB2' ' HE1' ' A' ' 821' ' ' MET . 6.3 mmp_? -78.4 140.1 38.73 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.399 -0.819 . . . . 4.71 109.443 172.163 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 95.24 -58.23 1.69 Allowed Glycine 0 N--CA 1.446 -0.69 0 N-CA-C 110.881 -0.888 . . . . 2.2000000000000002 110.881 -175.132 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 815' ' ' SER . . . . . 0.589 ' HB3' ' HE ' ' A' ' 817' ' ' ARG . 65.8 m -154.07 133.8 12.96 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.589 0.233 . . . . 2.1699999999999999 110.891 176.78 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 816' ' ' LYS . . . . . 0.6 ' HA ' ' HB3' ' A' ' 812' ' ' PHE . 0.0 OUTLIER -76.0 54.44 0.84 Allowed 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.346 -0.612 . . . . 2.21 109.346 172.781 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 817' ' ' ARG . . . . . 0.589 ' HE ' ' HB3' ' A' ' 815' ' ' SER . 70.8 mtm180 -142.94 -32.43 0.48 Allowed 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.276 -0.875 . . . . 3.73 109.564 -172.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 818' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -133.95 135.73 43.72 Favored 'General case' 0 CA--C 1.516 -0.351 0 N-CA-C 109.283 -0.636 . . . . 0.57999999999999996 109.283 -177.143 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 819' ' ' CYS . . . . . 0.526 ' SG ' ' HB2' ' A' ' 800' ' ' CYS . 1.8 p -74.7 102.57 4.67 Favored 'General case' 0 N--CA 1.438 -1.058 0 C-N-CA 119.738 -0.785 . . . . 1.3600000000000001 110.656 -174.611 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 52.7 p 84.92 -154.63 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.464 1.105 . . . . 1.76 110.164 161.294 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 821' ' ' MET . . . . . 0.499 ' HE1' ' HB2' ' A' ' 813' ' ' ARG . 0.1 OUTLIER -81.15 -56.3 4.18 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 111.916 0.339 . . . . 2.6000000000000001 111.916 -171.497 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 822' ' ' THR . . . . . . . . . . . . . 28.2 m -44.84 -53.98 6.9 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 112.989 0.737 . . . . 1.3300000000000001 112.989 178.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 823' ' ' CYS . . . . . . . . . . . . . 92.0 m -68.03 -46.89 69.91 Favored 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 113.071 0.767 . . . . 0.62 113.071 -174.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 824' ' ' ALA . . . . . . . . . . . . . . . -60.4 -42.56 96.21 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.445 0.641 . . . . 0.95999999999999996 110.231 178.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -62.7 -45.72 91.44 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 114.961 -1.018 . . . . 2.9900000000000002 111.289 177.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 43.9 ttp180 -77.03 -14.36 59.84 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 116.267 -0.424 . . . . 4.1799999999999997 111.899 -168.257 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 827' ' ' TYR . . . . . 0.563 ' HD1' ' HD1' ' A' ' 802' ' ' TYR . 36.1 t80 -57.76 -43.67 85.63 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.021 0.438 . . . . 1.5600000000000001 110.945 -178.316 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 828' ' ' ASN . . . . . . . . . . . . . 64.6 m-80 . . . . . 0 C--O 1.249 1.027 0 CA-C-N 114.896 -1.047 . . . . 3.1000000000000001 111.39 -178.111 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 829' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.672 0 N-CA-C 111.951 -0.46 . . . . 12.74 111.951 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 22.9 m -83.15 93.45 7.64 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.044 0.449 . . . . 11.16 110.201 179.333 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 15.7 mtp180 -94.16 100.35 12.45 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.234 -0.439 . . . . 13.42 110.768 177.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -115.64 -156.31 10.97 Favored Glycine 0 N--CA 1.441 -0.981 0 C-N-CA 120.737 -0.744 . . . . 8.5 112.181 179.604 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 784' ' ' VAL . . . . . . . . . . . . . 36.0 m -114.81 -168.92 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 109.566 -0.531 . . . . 10.69 109.566 177.124 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -40.06 -56.34 1.89 Allowed 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 123.107 0.563 . . . . 11.27 111.878 178.516 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 786' ' ' SER . . . . . . . . . . . . . 25.0 m -85.63 120.62 73.12 Favored Pre-proline 0 N--CA 1.449 -0.501 0 N-CA-C 109.663 -0.495 . . . . 9.1699999999999999 109.663 174.609 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 787' ' ' PRO . . . . . . . . . . . . . 8.6 Cg_exo -72.99 -7.6 20.93 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.799 2.333 . . . . 11.58 111.992 -179.211 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 788' ' ' SER . . . . . . . . . . . . . 11.6 m -84.78 1.47 46.56 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.841 -0.618 . . . . 10.779999999999999 110.921 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -68.73 -37.33 79.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.399 -0.364 . . . . 9.4100000000000001 110.852 -179.538 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 790' ' ' GLU . . . . . 0.95 ' HA ' ' HB3' ' A' ' 793' ' ' LYS . 1.8 mp0 -62.89 -25.12 68.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.473 . . . . 9.3399999999999999 111.693 -179.472 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 791' ' ' LEU . . . . . . . . . . . . . 91.5 mt -71.12 -0.06 8.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.432 0.634 . . . . 9.25 110.623 179.674 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -147.61 10.96 0.97 Allowed 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 114.933 -1.031 . . . . 7.0999999999999996 109.229 177.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 793' ' ' LYS . . . . . 0.95 ' HB3' ' HA ' ' A' ' 790' ' ' GLU . 1.7 ptmt -71.52 -41.35 69.32 Favored 'General case' 0 N--CA 1.445 -0.691 0 N-CA-C 107.516 -1.29 . . . . 6.6299999999999999 107.516 -178.066 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 794' ' ' LYS . . . . . 0.477 ' HG2' ' HG3' ' A' ' 793' ' ' LYS . 46.4 pttt -170.19 154.76 5.07 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 113.583 -1.644 . . . . 6.8600000000000003 109.494 167.406 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -168.18 31.99 0.03 OUTLIER 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 108.977 -0.749 . . . . 2.0600000000000001 108.977 -179.338 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 796' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -80.37 76.41 7.18 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.058 -0.974 . . . . 1.6799999999999999 110.24 -177.819 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 797' ' ' LEU . . . . . . . . . . . . . 36.9 mt -95.46 144.91 25.57 Favored 'General case' 0 N--CA 1.437 -1.098 0 CA-C-O 121.175 0.512 . . . . 1.3200000000000001 109.899 -176.615 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 798' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -146.52 177.86 8.73 Favored 'General case' 0 C--N 1.308 -1.226 0 N-CA-C 105.108 -2.182 . . . . 1.99 105.108 175.035 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 799' ' ' LYS . . . . . 0.49 ' HD2' ' O ' ' A' ' 804' ' ' GLY . 63.2 pttt -144.41 139.97 28.72 Favored 'General case' 0 N--CA 1.439 -1.012 0 C-N-CA 116.499 -2.081 . . . . 2.3799999999999999 114.213 -174.231 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 800' ' ' CYS . . . . . 0.608 ' HB2' ' SG ' ' A' ' 819' ' ' CYS . 6.4 t -36.57 111.99 0.17 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 111.176 -2.738 . . . . 0.40999999999999998 113.4 174.52 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -56.36 -6.45 0.28 Allowed 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 115.204 -0.907 . . . . 2.4199999999999999 112.803 172.694 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 802' ' ' TYR . . . . . . . . . . . . . 60.0 t80 -102.43 -48.59 4.12 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 121.383 -0.823 . . . . 1.21 111.266 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 4.6 p -113.43 -26.98 8.08 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 112.988 0.736 . . . . 0.51000000000000001 112.988 -176.133 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 804' ' ' GLY . . . . . 0.49 ' O ' ' HD2' ' A' ' 799' ' ' LYS . . . 92.46 18.71 40.82 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 119.65 -1.262 . . . . 0.27000000000000002 112.612 172.847 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 805' ' ' LYS . . . . . . . . . . . . . 20.6 ttmt -81.15 134.89 35.71 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 120.662 0.267 . . . . 2.73 110.32 178.539 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 806' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -86.0 137.69 32.52 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.434 -0.803 . . . . 1.22 109.987 -179.578 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 807' ' ' ALA . . . . . 0.423 ' HB2' ' HD2' ' A' ' 808' ' ' PRO . . . -158.42 158.1 29.37 Favored Pre-proline 0 N--CA 1.441 -0.91 0 CA-C-N 115.067 -0.969 . . . . 1.0800000000000001 110.49 -177.322 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 808' ' ' PRO . . . . . 0.622 ' HB2' ' CD ' ' A' ' 810' ' ' GLU . 35.7 Cg_endo -65.0 128.07 19.9 Favored 'Trans proline' 0 N--CA 1.462 -0.374 0 C-N-CA 122.737 2.291 . . . . 0.95999999999999996 110.477 176.585 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 809' ' ' ALA . . . . . . . . . . . . . . . -43.7 -31.78 0.86 Allowed 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 114.327 1.232 . . . . 1.0600000000000001 114.327 -177.176 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 810' ' ' GLU . . . . . 0.622 ' CD ' ' HB2' ' A' ' 808' ' ' PRO . 7.5 pm0 -62.26 -24.61 67.37 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 120.966 0.412 . . . . 2.8599999999999999 111.622 -179.783 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -79.06 -30.01 43.79 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-O 121.085 0.469 . . . . 1.48 110.085 -179.052 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 812' ' ' PHE . . . . . 0.757 ' HB3' ' HA ' ' A' ' 816' ' ' LYS . 61.3 m-85 -70.06 67.65 0.29 Allowed 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.63 -0.714 . . . . 0.68999999999999995 112.503 179.109 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 30.1 mtm180 -75.36 -0.35 19.54 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.347 -0.842 . . . . 4.71 110.169 175.449 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . -94.73 46.82 2.09 Favored Glycine 0 N--CA 1.446 -0.64 0 N-CA-C 111.342 -0.703 . . . . 2.2000000000000002 111.342 172.578 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 8.5 m 58.89 32.27 22.08 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 123.038 0.535 . . . . 2.1699999999999999 112.267 177.303 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 816' ' ' LYS . . . . . 0.757 ' HA ' ' HB3' ' A' ' 812' ' ' PHE . 95.6 mttt 54.46 49.14 18.99 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 121.613 0.72 . . . . 2.21 111.725 170.157 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 817' ' ' ARG . . . . . . . . . . . . . 34.2 mmt180 -140.02 -34.67 0.54 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.827 -1.079 . . . . 3.73 108.346 178.069 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 818' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -133.05 136.33 45.89 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.399 -0.819 . . . . 0.57999999999999996 108.911 175.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 819' ' ' CYS . . . . . 0.608 ' SG ' ' HB2' ' A' ' 800' ' ' CYS . 1.6 p -75.14 104.28 5.65 Favored 'General case' 0 N--CA 1.441 -0.88 0 C-N-CA 120.606 -0.438 . . . . 1.3600000000000001 111.453 -173.292 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 22.9 t 87.41 -154.9 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 122.906 0.482 . . . . 1.76 110.129 162.093 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 821' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -84.54 -62.54 1.53 Allowed 'General case' 0 N--CA 1.466 0.368 0 O-C-N 122.203 -0.311 . . . . 2.6000000000000001 111.749 -174.433 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 822' ' ' THR . . . . . 0.554 ' O ' ' HB2' ' A' ' 826' ' ' ARG . 1.4 m -44.89 -44.14 9.41 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 123.988 0.915 . . . . 1.3300000000000001 112.913 178.823 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 823' ' ' CYS . . . . . 0.516 ' HB2' ' O ' ' A' ' 819' ' ' CYS . 97.3 m -74.67 -42.96 57.51 Favored 'General case' 0 C--N 1.313 -1.016 0 N-CA-C 112.806 0.669 . . . . 0.62 112.806 -178.821 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 824' ' ' ALA . . . . . . . . . . . . . . . -61.03 -44.54 97.25 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 121.119 -0.232 . . . . 0.95999999999999996 111.144 178.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 825' ' ' LYS . . . . . 0.493 ' HG3' ' O ' ' A' ' 822' ' ' THR . 0.0 OUTLIER -66.2 -31.4 72.21 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 121.813 0.816 . . . . 2.9900000000000002 110.063 179.611 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 826' ' ' ARG . . . . . 0.554 ' HB2' ' O ' ' A' ' 822' ' ' THR . 62.8 ttt180 -68.75 -22.68 64.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 114.388 -1.278 . . . . 4.1799999999999997 111.377 -174.384 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 827' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -57.09 -32.2 66.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.502 -0.772 . . . . 1.5600000000000001 112.203 179.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 828' ' ' ASN . . . . . . . . . . . . . 32.0 m-80 . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.331 -0.842 . . . . 3.1000000000000001 111.305 -172.55 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 829' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.586 0 N-CA-C 111.906 -0.477 . . . . 12.74 111.906 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 53.3 m -87.55 124.77 33.84 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.095 0.474 . . . . 11.16 111.014 -177.134 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 93.3 mtt180 -121.16 89.64 3.17 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.997 -0.547 . . . . 13.42 110.923 179.694 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 783' ' ' GLY . . . . . 0.656 ' HA2' ' HB3' ' A' ' 789' ' ' ALA . . . -79.13 78.74 1.68 Allowed Glycine 0 N--CA 1.445 -0.758 0 N-CA-C 111.147 -0.781 . . . . 8.5 111.147 176.596 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 784' ' ' VAL . . . . . . . . . . . . . 15.6 m -87.95 46.84 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 121.093 0.473 . . . . 10.69 111.414 -175.295 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 53.86 52.36 13.13 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 115.484 -0.78 . . . . 11.27 110.966 178.267 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 786' ' ' SER . . . . . 0.496 ' O ' ' HG3' ' A' ' 790' ' ' GLU . 15.1 m -117.36 140.26 27.09 Favored Pre-proline 0 C--N 1.319 -0.756 0 CA-C-N 115.322 -0.854 . . . . 9.1699999999999999 109.508 178.87 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 787' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -38.0 -43.21 1.58 Allowed 'Trans proline' 0 C--N 1.349 0.585 0 C-N-CA 123.804 3.003 . . . . 11.58 113.224 -176.69 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 788' ' ' SER . . . . . 0.414 ' O ' ' HG ' ' A' ' 791' ' ' LEU . 52.7 m -77.89 -46.54 21.06 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.02 0.438 . . . . 10.779999999999999 111.389 179.136 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 789' ' ' ALA . . . . . 0.656 ' HB3' ' HA2' ' A' ' 783' ' ' GLY . . . -85.0 6.29 25.82 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.665 0.617 . . . . 9.4100000000000001 112.665 -170.69 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 790' ' ' GLU . . . . . 0.496 ' HG3' ' O ' ' A' ' 786' ' ' SER . 41.1 mt-10 -78.09 -22.34 49.1 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.684 -0.407 . . . . 9.3399999999999999 110.865 177.518 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 791' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 788' ' ' SER . 4.6 pp -75.34 -11.98 60.17 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.787 0.803 . . . . 9.25 109.349 175.367 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -99.03 -8.65 25.01 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.446 -1.252 . . . . 7.0999999999999996 109.213 175.031 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 793' ' ' LYS . . . . . 0.44 ' HB3' ' O ' ' A' ' 790' ' ' GLU . 55.6 tttp -73.22 -35.35 66.28 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 114.798 -1.092 . . . . 6.6299999999999999 110.009 -178.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 794' ' ' LYS . . . . . 0.497 ' HB3' ' ND2' ' A' ' 796' ' ' ASN . 34.9 mmtp -75.63 -71.32 0.38 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.495 -0.775 . . . . 6.8600000000000003 110.2 179.207 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . 45.5 35.21 1.9 Allowed 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 112.487 0.551 . . . . 2.0600000000000001 112.487 -178.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 796' ' ' ASN . . . . . 0.497 ' ND2' ' HB3' ' A' ' 794' ' ' LYS . 6.4 p30 -83.34 51.96 2.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.213 0.53 . . . . 1.6799999999999999 109.699 174.226 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 797' ' ' LEU . . . . . . . . . . . . . 16.0 mt -90.03 149.13 22.66 Favored 'General case' 0 N--CA 1.444 -0.767 0 CA-C-O 121.448 0.642 . . . . 1.3200000000000001 111.024 -168.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 798' ' ' LEU . . . . . 0.465 ' C ' HD22 ' A' ' 798' ' ' LEU . 0.0 OUTLIER -148.53 165.52 30.97 Favored 'General case' 0 C--N 1.31 -1.14 0 N-CA-C 105.398 -2.075 . . . . 1.99 105.398 171.293 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 799' ' ' LYS . . . . . 0.655 ' HD3' ' CZ ' ' A' ' 806' ' ' TYR . 63.2 pttt -123.23 139.04 54.46 Favored 'General case' 0 C--N 1.32 -0.674 0 C-N-CA 117.188 -1.805 . . . . 2.3799999999999999 113.619 -167.686 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 800' ' ' CYS . . . . . 0.455 ' C ' ' H ' ' A' ' 802' ' ' TYR . 17.4 t -47.14 103.82 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 112.01 -2.359 . . . . 0.40999999999999998 111.203 172.716 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -67.4 19.92 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 113.404 0.89 . . . . 2.4199999999999999 113.404 -176.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 802' ' ' TYR . . . . . 0.455 ' H ' ' C ' ' A' ' 800' ' ' CYS . 42.4 t80 -106.95 -41.0 5.31 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.738 -0.467 . . . . 1.21 109.738 172.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 5.4 p -116.37 -33.96 4.77 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 115.907 -0.588 . . . . 0.51000000000000001 112.361 179.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 99.96 22.09 12.71 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.407 -0.901 . . . . 0.27000000000000002 113.176 176.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 805' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp -82.98 129.44 35.03 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 117.349 0.574 . . . . 2.73 110.863 -179.18 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 806' ' ' TYR . . . . . 0.655 ' CZ ' ' HD3' ' A' ' 799' ' ' LYS . 98.4 m-85 -87.04 126.63 34.87 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.451 -0.574 . . . . 1.22 109.451 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 807' ' ' ALA . . . . . 0.487 ' HB1' ' HD2' ' A' ' 808' ' ' PRO . . . -153.32 161.27 29.55 Favored Pre-proline 0 C--N 1.318 -0.792 0 CA-C-N 115.39 -0.823 . . . . 1.0800000000000001 109.613 -174.708 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 808' ' ' PRO . . . . . 0.667 ' HB2' ' HG2' ' A' ' 810' ' ' GLU . 35.8 Cg_endo -67.91 129.23 19.23 Favored 'Trans proline' 0 N--CA 1.458 -0.559 0 C-N-CA 121.976 1.784 . . . . 0.95999999999999996 111.131 -178.072 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 809' ' ' ALA . . . . . . . . . . . . . . . -44.07 -26.5 0.3 Allowed 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 113.783 1.031 . . . . 1.0600000000000001 113.783 -178.541 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 810' ' ' GLU . . . . . 0.667 ' HG2' ' HB2' ' A' ' 808' ' ' PRO . 11.0 pt-20 -60.38 -26.74 66.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.953 0.406 . . . . 2.8599999999999999 111.654 179.739 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -82.14 -28.73 32.0 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.157 -0.474 . . . . 1.48 109.883 -176.088 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 812' ' ' PHE . . . . . 0.689 ' HB3' ' HA ' ' A' ' 816' ' ' LYS . 12.2 m-85 -68.89 63.43 0.12 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.249 -0.887 . . . . 0.68999999999999995 111.87 176.715 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 75.4 mtt180 -78.0 137.94 38.56 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 114.387 -1.278 . . . . 4.71 110.696 177.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 96.92 -66.7 0.92 Allowed Glycine 0 N--CA 1.442 -0.944 0 N-CA-C 110.436 -1.066 . . . . 2.2000000000000002 110.436 -170.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 70.5 m -150.18 135.28 17.86 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 110.681 -0.118 . . . . 2.1699999999999999 110.681 177.367 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 816' ' ' LYS . . . . . 0.689 ' HA ' ' HB3' ' A' ' 812' ' ' PHE . 1.0 OUTLIER -75.62 67.66 2.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.564 0.697 . . . . 2.21 109.911 174.799 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 817' ' ' ARG . . . . . . . . . . . . . 82.9 mtp180 -145.07 -34.8 0.34 Allowed 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.061 -0.972 . . . . 3.73 108.91 -175.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 818' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -135.65 155.41 50.47 Favored 'General case' 0 N--CA 1.442 -0.845 0 N-CA-C 108.431 -0.952 . . . . 0.57999999999999996 108.431 178.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 819' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -68.57 -159.48 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.033 -0.729 . . . . 1.3600000000000001 109.033 172.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 33.2 p -64.66 -116.94 0.0 OUTLIER 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 114.258 1.207 . . . . 1.76 114.258 -157.145 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 821' ' ' MET . . . . . 0.419 ' HE1' ' HA ' ' A' ' 821' ' ' MET . 1.6 mmt -85.76 -62.0 1.63 Allowed 'General case' 0 C--N 1.321 -0.632 0 O-C-N 120.931 -1.106 . . . . 2.6000000000000001 111.635 -165.552 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 822' ' ' THR . . . . . 0.472 ' O ' ' HB2' ' A' ' 826' ' ' ARG . 3.7 m -45.77 -50.48 13.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 123.764 0.665 . . . . 1.3300000000000001 112.568 -179.232 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 823' ' ' CYS . . . . . . . . . . . . . 57.3 m -71.11 -49.81 40.31 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 113.767 1.025 . . . . 0.62 113.767 -176.072 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 824' ' ' ALA . . . . . . . . . . . . . . . -60.26 -44.51 95.22 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 120.4 -0.52 . . . . 0.95999999999999996 110.768 178.4 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 825' ' ' LYS . . . . . 0.454 ' HE3' ' HB2' ' A' ' 825' ' ' LYS . 0.0 OUTLIER -67.52 -26.14 66.19 Favored 'General case' 0 C--O 1.227 -0.095 0 C-N-CA 120.851 -0.339 . . . . 2.9900000000000002 110.873 178.739 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 826' ' ' ARG . . . . . 0.472 ' HB2' ' O ' ' A' ' 822' ' ' THR . 24.8 tpp180 -66.64 -31.71 72.57 Favored 'General case' 0 CA--C 1.521 -0.166 0 CA-C-O 121.235 0.54 . . . . 4.1799999999999997 110.514 -176.859 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 827' ' ' TYR . . . . . . . . . . . . . 29.8 t80 -84.25 -21.78 31.02 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.578 -0.737 . . . . 1.5600000000000001 109.855 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 828' ' ' ASN . . . . . . . . . . . . . 35.4 m-80 . . . . . 0 C--O 1.251 1.18 0 CA-C-O 118.685 -0.674 . . . . 3.1000000000000001 111.098 177.62 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 829' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.762 0 N-CA-C 111.965 -0.454 . . . . 12.74 111.965 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.5 t -113.32 75.01 0.89 Allowed 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.807 0.813 . . . . 11.16 110.036 177.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 20.1 ttp180 56.0 50.6 13.48 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.016 -0.993 . . . . 13.42 109.128 -173.018 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . 122.34 157.07 9.84 Favored Glycine 0 N--CA 1.443 -0.848 0 CA-C-N 114.493 -1.23 . . . . 8.5 111.202 -175.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 784' ' ' VAL . . . . . . . . . . . . . 4.1 p -129.9 -44.12 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 121.074 0.464 . . . . 10.69 110.706 179.613 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 785' ' ' ASP . . . . . 0.408 ' C ' ' HG ' ' A' ' 786' ' ' SER . 5.2 m-20 -100.85 143.94 30.39 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.854 -0.795 . . . . 11.27 108.854 174.501 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 786' ' ' SER . . . . . 0.408 ' HG ' ' C ' ' A' ' 785' ' ' ASP . 50.9 m -151.04 119.43 3.46 Favored Pre-proline 0 C--N 1.324 -0.505 0 C-N-CA 120.594 -0.442 . . . . 9.1699999999999999 112.08 -179.829 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 787' ' ' PRO . . . . . 0.538 ' HG2' ' OD2' ' A' ' 792' ' ' ASP . 2.6 Cg_exo -81.98 -17.74 7.99 Favored 'Trans proline' 0 N--CA 1.462 -0.35 0 C-N-CA 123.33 2.687 . . . . 11.58 110.776 166.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 788' ' ' SER . . . . . 0.577 ' HB3' ' CB ' ' A' ' 792' ' ' ASP . 29.9 t -140.12 145.22 37.31 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-N 115.292 -0.867 . . . . 10.779999999999999 109.425 176.273 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -53.31 -58.03 8.51 Favored 'General case' 0 C--N 1.328 -0.364 0 O-C-N 123.474 0.484 . . . . 9.4100000000000001 111.981 -173.039 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 790' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -116.57 -40.87 3.15 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.786 0.327 . . . . 9.3399999999999999 111.795 -175.205 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 791' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -71.65 -46.62 58.43 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 113.154 0.798 . . . . 9.25 113.154 -166.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 792' ' ' ASP . . . . . 0.577 ' CB ' ' HB3' ' A' ' 788' ' ' SER . 10.1 t70 -91.62 73.11 5.91 Favored 'General case' 0 C--N 1.304 -1.395 0 CA-C-O 122.335 1.064 . . . . 7.0999999999999996 110.718 -170.223 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 793' ' ' LYS . . . . . . . . . . . . . 26.5 mtmm -164.47 -43.9 0.03 OUTLIER 'General case' 0 C--N 1.313 -1.006 0 CA-C-N 112.879 -1.964 . . . . 6.6299999999999999 106.069 174.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -81.49 -78.65 0.18 Allowed 'General case' 0 N--CA 1.437 -1.124 0 CA-C-N 113.713 -1.585 . . . . 6.8600000000000003 109.722 170.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . 27.13 67.57 0.07 Allowed 'General case' 0 N--CA 1.471 0.621 0 O-C-N 124.179 0.925 . . . . 2.0600000000000001 112.664 -176.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 796' ' ' ASN . . . . . 0.521 ' N ' HD21 ' A' ' 796' ' ' ASN . 0.0 OUTLIER -157.11 105.29 2.13 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 108.135 -1.061 . . . . 1.6799999999999999 108.135 -176.376 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 797' ' ' LEU . . . . . . . . . . . . . 11.1 mt -104.76 144.57 31.56 Favored 'General case' 0 N--CA 1.435 -1.213 0 CA-C-O 121.699 0.761 . . . . 1.3200000000000001 111.076 -169.284 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 798' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -145.29 -177.02 5.34 Favored 'General case' 0 C--N 1.304 -1.371 0 N-CA-C 104.786 -2.301 . . . . 1.99 104.786 174.052 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 799' ' ' LYS . . . . . 0.967 ' HD3' ' HA2' ' A' ' 804' ' ' GLY . 0.0 OUTLIER -145.86 141.55 27.97 Favored 'General case' 0 N--CA 1.437 -1.097 0 C-N-CA 116.175 -2.21 . . . . 2.3799999999999999 115.435 -175.556 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 800' ' ' CYS . . . . . 0.454 ' HB2' ' SG ' ' A' ' 819' ' ' CYS . 28.0 t -45.39 104.69 0.05 OUTLIER 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 110.608 -2.996 . . . . 0.40999999999999998 111.67 175.002 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 42.6 mm-40 -64.29 12.38 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 114.035 1.124 . . . . 2.4199999999999999 114.035 -178.329 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 802' ' ' TYR . . . . . 0.448 ' H ' ' C ' ' A' ' 800' ' ' CYS . 35.5 t80 -104.58 -41.89 5.58 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 109.822 -0.436 . . . . 1.21 109.822 175.436 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 5.3 p -118.52 -24.84 6.65 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 113.258 0.836 . . . . 0.51000000000000001 113.258 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 804' ' ' GLY . . . . . 0.967 ' HA2' ' HD3' ' A' ' 799' ' ' LYS . . . 93.44 17.85 40.87 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 119.862 -1.161 . . . . 0.27000000000000002 112.917 175.315 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 805' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -82.38 126.75 32.54 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.747 0.308 . . . . 2.73 110.669 -178.362 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 806' ' ' TYR . . . . . 0.403 ' CZ ' ' HG2' ' A' ' 799' ' ' LYS . 64.5 m-85 -89.21 132.13 35.01 Favored 'General case' 0 CA--C 1.513 -0.469 0 CA-C-N 115.616 -0.72 . . . . 1.22 110.151 -174.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 807' ' ' ALA . . . . . 0.645 ' HB1' ' HD2' ' A' ' 808' ' ' PRO . . . -160.63 168.3 12.06 Favored Pre-proline 0 C--N 1.317 -0.843 0 CA-C-N 114.917 -1.038 . . . . 1.0800000000000001 110.118 -174.179 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 808' ' ' PRO . . . . . 0.645 ' HD2' ' HB1' ' A' ' 807' ' ' ALA . 32.4 Cg_endo -70.05 132.04 22.06 Favored 'Trans proline' 0 N--CA 1.455 -0.778 0 C-N-CA 121.654 1.57 . . . . 0.95999999999999996 111.211 -179.114 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 809' ' ' ALA . . . . . 0.41 ' O ' ' HB2' ' A' ' 812' ' ' PHE . . . -41.84 -27.84 0.13 Allowed 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 114.785 -1.098 . . . . 1.0600000000000001 113.886 178.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 26.6 tp10 -60.67 -37.56 81.98 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 112.849 0.685 . . . . 2.8599999999999999 112.849 -178.258 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 811' ' ' GLN . . . . . 0.524 ' C ' ' H ' ' A' ' 813' ' ' ARG . 6.4 pt20 -76.81 -21.39 55.16 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 109.486 -0.561 . . . . 1.48 109.486 -175.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 812' ' ' PHE . . . . . 0.592 ' HB3' ' HA ' ' A' ' 816' ' ' LYS . 7.7 m-85 -70.72 32.57 0.04 OUTLIER 'General case' 0 C--O 1.222 -0.35 0 CA-C-N 115.54 -0.755 . . . . 0.68999999999999995 112.246 173.853 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 813' ' ' ARG . . . . . 0.524 ' H ' ' C ' ' A' ' 811' ' ' GLN . 7.5 ptm180 -78.21 158.18 29.08 Favored 'General case' 0 C--N 1.309 -1.155 0 N-CA-C 109.013 -0.736 . . . . 4.71 109.013 178.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 88.45 -30.62 5.19 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.555 -0.831 . . . . 2.2000000000000002 112.722 -173.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 9.7 t -145.03 -44.65 0.23 Allowed 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 113.062 0.764 . . . . 2.1699999999999999 113.062 -175.205 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 816' ' ' LYS . . . . . 0.592 ' HA ' ' HB3' ' A' ' 812' ' ' PHE . 24.1 ttmm 53.06 55.33 9.05 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 123.143 1.449 . . . . 2.21 108.937 -169.756 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 817' ' ' ARG . . . . . . . . . . . . . 71.8 mtp180 -155.13 -37.19 0.09 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 112.139 -2.3 . . . . 3.73 108.128 -177.295 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 818' ' ' PHE . . . . . 0.416 ' CE1' ' HB2' ' A' ' 802' ' ' TYR . 79.7 m-85 -133.12 170.19 15.77 Favored 'General case' 0 N--CA 1.441 -0.909 0 CA-C-N 115.004 -0.998 . . . . 0.57999999999999996 108.803 176.529 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 819' ' ' CYS . . . . . 0.454 ' SG ' ' HB2' ' A' ' 800' ' ' CYS . 0.9 OUTLIER -68.87 -158.2 0.02 OUTLIER 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 108.124 -1.065 . . . . 1.3600000000000001 108.124 166.069 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 73.9 p -69.79 -134.71 0.0 OUTLIER 'General case' 0 CA--C 1.55 0.953 0 N-CA-C 113.363 0.875 . . . . 1.76 113.363 -161.361 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 821' ' ' MET . . . . . 0.469 ' HA ' ' HE3' ' A' ' 821' ' ' MET . 32.4 mmt -75.96 -58.26 3.39 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 121.218 -0.926 . . . . 2.6000000000000001 112.432 -161.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 822' ' ' THR . . . . . . . . . . . . . 25.8 m -45.61 -49.77 13.88 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.639 0.607 . . . . 1.3300000000000001 112.639 -179.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 823' ' ' CYS . . . . . . . . . . . . . 87.5 m -71.24 -52.26 20.02 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 113.167 0.803 . . . . 0.62 113.167 -177.254 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 824' ' ' ALA . . . . . . . . . . . . . . . -57.66 -49.07 77.69 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-O 120.525 0.202 . . . . 0.95999999999999996 111.261 -179.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -64.07 -31.46 72.66 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-O 121.014 0.435 . . . . 2.9900000000000002 111.021 -177.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 47.6 ttt180 -71.8 -24.83 61.79 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.244 -0.434 . . . . 4.1799999999999997 111.069 -173.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 827' ' ' TYR . . . . . . . . . . . . . 82.2 t80 -84.4 -0.87 54.37 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-O 121.198 0.523 . . . . 1.5600000000000001 111.379 -179.074 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 828' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.246 0.899 0 CA-C-O 117.925 -1.036 . . . . 3.1000000000000001 111.178 179.263 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 829' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.542 0 N-CA-C 111.167 -0.773 . . . . 12.74 111.167 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 23.2 m -75.51 88.95 2.68 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.272 0.558 . . . . 11.16 109.976 177.245 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 42.4 ttm180 -88.26 83.69 6.91 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.687 -0.688 . . . . 13.42 110.806 -175.182 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -154.79 117.63 0.8 Allowed Glycine 0 N--CA 1.444 -0.774 0 CA-C-N 115.371 -0.831 . . . . 8.5 111.766 179.345 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 784' ' ' VAL . . . . . . . . . . . . . 59.9 t -100.41 -72.38 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 109.283 -0.636 . . . . 10.69 109.283 176.631 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 785' ' ' ASP . . . . . 0.429 ' HA ' ' HD2' ' A' ' 794' ' ' LYS . 48.2 m-20 -139.62 37.98 2.03 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 107.188 -1.412 . . . . 11.27 107.188 170.504 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 786' ' ' SER . . . . . 0.536 ' O ' ' HB2' ' A' ' 790' ' ' GLU . 5.6 m -69.63 121.53 82.75 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-N 113.578 -1.646 . . . . 9.1699999999999999 112.315 -172.734 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 787' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -68.31 0.81 4.14 Favored 'Trans proline' 0 CA--C 1.529 0.27 0 C-N-CA 122.474 2.116 . . . . 11.58 110.607 170.375 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 788' ' ' SER . . . . . 0.413 ' H ' ' C ' ' A' ' 786' ' ' SER . 15.9 m -84.09 -53.08 5.78 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 114.969 -1.014 . . . . 10.779999999999999 111.105 177.85 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -124.99 -25.55 3.86 Favored 'General case' 0 C--O 1.232 0.171 0 N-CA-C 112.156 0.428 . . . . 9.4100000000000001 112.156 -174.269 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 790' ' ' GLU . . . . . 0.536 ' HB2' ' O ' ' A' ' 786' ' ' SER . 17.5 mm-40 -77.0 -3.55 39.59 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.014 0.375 . . . . 9.3399999999999999 112.014 -176.569 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 791' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -71.78 -0.87 12.15 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.908 0.861 . . . . 9.25 110.854 179.284 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -113.43 32.64 5.64 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 114.493 -1.231 . . . . 7.0999999999999996 108.409 176.618 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 793' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt -159.26 -38.15 0.06 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 114.095 -1.411 . . . . 6.6299999999999999 109.059 -172.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 794' ' ' LYS . . . . . 0.576 ' HB2' HD23 ' A' ' 797' ' ' LEU . 16.4 ptpt -153.29 151.23 29.78 Favored 'General case' 0 N--CA 1.444 -0.764 0 CA-C-N 115.414 -0.812 . . . . 6.8600000000000003 109.309 179.606 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -169.71 -39.29 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.358 0.599 . . . . 2.0600000000000001 109.967 -178.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 796' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -76.09 68.76 2.58 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.04 -0.982 . . . . 1.6799999999999999 109.81 172.036 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 797' ' ' LEU . . . . . 0.576 HD23 ' HB2' ' A' ' 794' ' ' LYS . 20.3 mt -97.21 146.9 24.65 Favored 'General case' 0 N--CA 1.443 -0.825 0 CA-C-N 115.49 -0.777 . . . . 1.3200000000000001 110.869 -175.545 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 798' ' ' LEU . . . . . 0.513 HD23 ' C ' ' A' ' 798' ' ' LEU . 0.0 OUTLIER -146.28 179.7 7.33 Favored 'General case' 0 C--N 1.31 -1.142 0 N-CA-C 105.444 -2.058 . . . . 1.99 105.444 171.856 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 799' ' ' LYS . . . . . 0.403 ' N ' HD23 ' A' ' 798' ' ' LEU . 0.0 OUTLIER -142.03 142.82 32.91 Favored 'General case' 0 C--N 1.316 -0.885 0 C-N-CA 117.406 -1.718 . . . . 2.3799999999999999 113.291 -175.92 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 800' ' ' CYS . . . . . 0.512 ' HB2' ' SG ' ' A' ' 819' ' ' CYS . 42.6 t -46.85 114.46 0.84 Allowed 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 111.702 -2.499 . . . . 0.40999999999999998 112.237 177.53 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -61.82 3.76 0.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 113.196 0.813 . . . . 2.4199999999999999 113.196 178.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 802' ' ' TYR . . . . . 0.425 ' H ' ' C ' ' A' ' 800' ' ' CYS . 24.4 t80 -103.92 -49.09 3.72 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 121.981 -0.449 . . . . 1.21 110.331 178.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 5.5 p -113.74 -29.12 7.21 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.757 0.651 . . . . 0.51000000000000001 112.757 -178.097 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 94.74 22.25 24.11 Favored Glycine 0 C--N 1.321 -0.283 0 C-N-CA 120.178 -1.01 . . . . 0.27000000000000002 112.79 175.197 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 805' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -77.6 125.35 29.2 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 110.172 -0.307 . . . . 2.73 110.172 178.299 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 806' ' ' TYR . . . . . . . . . . . . . 70.7 m-85 -87.47 130.79 34.56 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.183 -0.673 . . . . 1.22 109.183 -177.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 807' ' ' ALA . . . . . 0.506 ' HB1' ' CE1' ' A' ' 812' ' ' PHE . . . -158.36 161.2 29.02 Favored Pre-proline 0 C--N 1.317 -0.833 0 CA-C-N 115.624 -0.717 . . . . 1.0800000000000001 110.185 -173.557 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 808' ' ' PRO . . . . . 0.479 ' HD2' ' HB3' ' A' ' 807' ' ' ALA . 19.2 Cg_endo -61.24 133.94 49.44 Favored 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 122.341 2.028 . . . . 0.95999999999999996 110.964 176.577 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 809' ' ' ALA . . . . . 0.418 ' HA ' HD11 ' A' ' 798' ' ' LEU . . . -44.03 -38.03 3.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.143 -0.935 . . . . 1.0600000000000001 111.791 177.661 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -63.19 -27.85 69.65 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 114.722 -1.126 . . . . 2.8599999999999999 111.492 -178.223 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.25 -28.63 42.41 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.775 -0.648 . . . . 1.48 109.789 -177.003 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 812' ' ' PHE . . . . . 0.567 ' CB ' ' HA ' ' A' ' 816' ' ' LYS . 75.4 m-85 -71.81 71.45 0.76 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.839 -0.619 . . . . 0.68999999999999995 111.596 176.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 29.8 mtp180 -70.91 -5.05 27.8 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.649 -0.705 . . . . 4.71 109.816 174.355 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . -88.99 48.73 3.5 Favored Glycine 0 N--CA 1.447 -0.626 0 N-CA-C 111.374 -0.69 . . . . 2.2000000000000002 111.374 172.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 815' ' ' SER . . . . . 0.405 ' CB ' HH21 ' A' ' 817' ' ' ARG . 9.0 t 56.24 42.13 28.39 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-O 121.352 0.596 . . . . 2.1699999999999999 111.529 177.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 816' ' ' LYS . . . . . 0.567 ' HA ' ' CB ' ' A' ' 812' ' ' PHE . 31.7 mmtp 55.58 35.51 25.33 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 114.806 -1.088 . . . . 2.21 111.874 164.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 817' ' ' ARG . . . . . 0.405 HH21 ' CB ' ' A' ' 815' ' ' SER . 63.9 mtm180 -144.01 -28.77 0.51 Allowed 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.791 -0.64 . . . . 3.73 110.01 -175.278 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 818' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -136.72 136.06 38.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.229 0.538 . . . . 0.57999999999999996 110.009 177.044 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 819' ' ' CYS . . . . . 0.55 ' O ' ' HB2' ' A' ' 823' ' ' CYS . 1.2 p -76.43 106.79 8.27 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.226 -0.897 . . . . 1.3600000000000001 111.465 -172.558 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 820' ' ' SER . . . . . 0.428 ' HB3' ' O ' ' A' ' 819' ' ' CYS . 30.8 t 89.83 -163.89 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 109.647 -0.501 . . . . 1.76 109.647 164.08 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 821' ' ' MET . . . . . 0.664 ' O ' ' HG2' ' A' ' 825' ' ' LYS . 31.5 mmt -83.07 -59.05 2.6 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.649 0.261 . . . . 2.6000000000000001 110.456 -176.438 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 822' ' ' THR . . . . . . . . . . . . . 14.1 m -43.78 -47.17 7.97 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 123.812 0.845 . . . . 1.3300000000000001 112.938 178.17 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 823' ' ' CYS . . . . . 0.55 ' HB2' ' O ' ' A' ' 819' ' ' CYS . 91.0 m -71.11 -47.78 56.09 Favored 'General case' 0 C--N 1.314 -0.955 0 N-CA-C 111.984 0.364 . . . . 0.62 111.984 -176.494 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 824' ' ' ALA . . . . . . . . . . . . . . . -61.42 -41.74 97.65 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-O 120.891 0.377 . . . . 0.95999999999999996 110.346 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 825' ' ' LYS . . . . . 0.664 ' HG2' ' O ' ' A' ' 821' ' ' MET . 14.1 mmmm -66.94 -30.26 70.34 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-N 116.127 -0.488 . . . . 2.9900000000000002 111.851 179.561 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 66.9 ttt180 -72.43 -24.62 61.25 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.456 0.646 . . . . 4.1799999999999997 110.019 -176.531 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 827' ' ' TYR . . . . . 0.602 ' C ' HD21 ' A' ' 828' ' ' ASN . 69.6 t80 -86.42 -51.39 6.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.288 -0.869 . . . . 1.5600000000000001 109.34 174.803 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 828' ' ' ASN . . . . . 0.602 HD21 ' C ' ' A' ' 827' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--O 1.248 1.008 0 C-N-CA 125.176 1.391 . . . . 3.1000000000000001 113.597 179.103 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 829' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.479 0 N-CA-C 112.112 -0.395 . . . . 12.74 112.112 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.3 m 74.76 -52.6 0.68 Allowed 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.034 0.534 . . . . 11.16 111.565 176.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 17.7 ptm180 -136.44 36.18 2.71 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.09 0.471 . . . . 13.42 110.804 -179.193 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -78.52 72.89 2.31 Favored Glycine 0 N--CA 1.449 -0.49 0 CA-C-N 115.768 -0.651 . . . . 8.5 112.534 -179.283 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 784' ' ' VAL . . . . . . . . . . . . . 58.6 t -75.27 -56.79 7.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 121.008 0.432 . . . . 10.69 109.985 177.347 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 43.2 m-20 -121.22 88.28 2.91 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.664 -0.698 . . . . 11.27 110.207 177.477 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 786' ' ' SER . . . . . 0.451 ' HA ' ' HD3' ' A' ' 787' ' ' PRO . 47.4 m -99.05 120.91 57.27 Favored Pre-proline 0 C--N 1.321 -0.654 0 N-CA-C 109.741 -0.466 . . . . 9.1699999999999999 109.741 176.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 787' ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' A' ' 786' ' ' SER . 16.2 Cg_exo -68.88 -25.68 32.61 Favored 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.748 2.299 . . . . 11.58 111.998 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 788' ' ' SER . . . . . . . . . . . . . 50.6 m -130.21 147.29 51.92 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.808 -0.633 . . . . 10.779999999999999 110.019 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -89.92 -25.91 20.71 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.02 -0.536 . . . . 9.4100000000000001 111.243 -176.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 790' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -83.19 -63.71 1.31 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.171 -0.468 . . . . 9.3399999999999999 110.434 178.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 791' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -86.58 65.95 9.26 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.331 0.586 . . . . 9.25 110.047 178.165 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -59.25 99.57 0.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 114.822 -1.081 . . . . 7.0999999999999996 111.775 -177.013 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 793' ' ' LYS . . . . . . . . . . . . . 60.4 tttp 71.93 -66.25 0.31 Allowed 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.218 -0.901 . . . . 6.6299999999999999 112.008 173.073 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 48.7 pttt -76.65 134.36 39.31 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-O 121.337 0.589 . . . . 6.8600000000000003 110.628 -177.359 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -164.2 30.1 0.07 Allowed 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 114.725 -1.125 . . . . 2.0600000000000001 110.957 -177.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 796' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -78.13 95.35 4.89 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.451 0.643 . . . . 1.6799999999999999 109.512 173.135 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 797' ' ' LEU . . . . . . . . . . . . . 43.7 mt -100.8 151.67 21.42 Favored 'General case' 0 N--CA 1.439 -1.003 0 CA-C-O 121.687 0.756 . . . . 1.3200000000000001 110.625 -173.308 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 798' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -149.95 -178.5 6.51 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 104.685 -2.339 . . . . 1.99 104.685 173.218 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 799' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.06 142.57 27.57 Favored 'General case' 0 C--N 1.314 -0.969 0 C-N-CA 116.655 -2.018 . . . . 2.3799999999999999 114.334 -174.503 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 800' ' ' CYS . . . . . 0.571 ' HB2' ' SG ' ' A' ' 819' ' ' CYS . 5.5 t -40.6 107.43 0.07 Allowed 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 111.54 -2.573 . . . . 0.40999999999999998 112.732 176.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -61.33 0.53 0.27 Allowed 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 123.319 0.648 . . . . 2.4199999999999999 112.344 176.077 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 802' ' ' TYR . . . . . 0.436 ' H ' ' C ' ' A' ' 800' ' ' CYS . 62.9 t80 -103.0 -48.41 4.06 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 122.063 -0.398 . . . . 1.21 110.605 178.578 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 7.7 p -115.47 -29.88 6.39 Favored 'General case' 0 N--CA 1.466 0.325 0 N-CA-C 112.68 0.622 . . . . 0.51000000000000001 112.68 -178.478 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 97.99 21.54 17.95 Favored Glycine 0 C--N 1.322 -0.232 0 C-N-CA 120.658 -0.782 . . . . 0.27000000000000002 113.759 172.196 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 805' ' ' LYS . . . . . 0.412 ' HA ' ' HD2' ' A' ' 805' ' ' LYS . 11.3 mmmm -81.76 131.35 35.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 117.439 0.619 . . . . 2.73 110.265 179.81 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 806' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -84.5 131.18 34.67 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.015 -0.539 . . . . 1.22 109.683 -177.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -162.36 165.31 15.78 Favored Pre-proline 0 N--CA 1.445 -0.707 0 CA-C-N 115.38 -0.827 . . . . 1.0800000000000001 110.204 -171.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 808' ' ' PRO . . . . . 0.539 ' HD2' ' OE1' ' A' ' 811' ' ' GLN . 14.7 Cg_exo -71.3 135.34 26.64 Favored 'Trans proline' 0 CA--C 1.517 -0.348 0 C-N-CA 122.683 2.255 . . . . 0.95999999999999996 111.549 -177.206 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 809' ' ' ALA . . . . . . . . . . . . . . . -45.02 -23.8 0.18 Allowed 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 115.447 -0.797 . . . . 1.0600000000000001 113.073 176.303 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -57.05 -53.43 58.22 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 114.026 1.121 . . . . 2.8599999999999999 114.026 -177.516 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 811' ' ' GLN . . . . . 0.539 ' OE1' ' HD2' ' A' ' 808' ' ' PRO . 4.1 pm0 -87.17 23.88 1.71 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 118.682 0.673 . . . . 1.48 110.7 -177.535 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 812' ' ' PHE . . . . . 0.42 ' HB3' ' HD3' ' A' ' 816' ' ' LYS . 8.4 m-85 -96.13 53.98 1.41 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.962 0.887 . . . . 0.68999999999999995 108.704 172.033 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 813' ' ' ARG . . . . . 0.406 HH11 ' HD2' ' A' ' 813' ' ' ARG . 50.2 mtm180 -73.59 147.05 44.23 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.044 -1.435 . . . . 4.71 111.476 179.417 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 83.14 -68.8 3.49 Favored Glycine 0 N--CA 1.448 -0.525 0 CA-C-N 115.8 -0.636 . . . . 2.2000000000000002 111.598 179.514 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 20.6 m -125.15 115.31 20.25 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 109.864 -0.421 . . . . 2.1699999999999999 109.864 178.572 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 816' ' ' LYS . . . . . 0.42 ' HD3' ' HB3' ' A' ' 812' ' ' PHE . 3.1 tppp? -75.78 56.11 0.92 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 122.064 0.935 . . . . 2.21 108.84 176.639 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 817' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -142.28 -33.56 0.48 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 114.351 -1.295 . . . . 3.73 109.683 -171.447 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 818' ' ' PHE . . . . . 0.551 ' HA ' ' HA ' ' A' ' 800' ' ' CYS . 21.1 m-85 -134.06 146.14 50.04 Favored 'General case' 0 CA--C 1.515 -0.38 0 N-CA-C 109.208 -0.664 . . . . 0.57999999999999996 109.208 -172.076 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 819' ' ' CYS . . . . . 0.571 ' SG ' ' HB2' ' A' ' 800' ' ' CYS . 1.6 p -74.77 101.43 4.33 Favored 'General case' 0 N--CA 1.441 -0.88 0 C-N-CA 119.572 -0.851 . . . . 1.3600000000000001 110.93 -177.801 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 20.9 t 88.11 -155.26 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.35 0.66 . . . . 1.76 110.393 161.568 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 821' ' ' MET . . . . . 0.617 ' O ' ' HG2' ' A' ' 825' ' ' LYS . 3.1 mmt -84.21 -59.69 2.32 Favored 'General case' 0 C--O 1.223 -0.306 0 N-CA-C 112.56 0.578 . . . . 2.6000000000000001 112.56 -172.296 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 822' ' ' THR . . . . . . . . . . . . . 13.5 m -44.88 -41.96 7.58 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 123.252 0.621 . . . . 1.3300000000000001 112.394 178.437 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 823' ' ' CYS . . . . . . . . . . . . . 97.1 m -72.63 -41.61 65.33 Favored 'General case' 0 C--N 1.315 -0.908 0 N-CA-C 112.216 0.45 . . . . 0.62 112.216 -179.306 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 824' ' ' ALA . . . . . . . . . . . . . . . -59.03 -44.7 91.78 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.136 0.493 . . . . 0.95999999999999996 109.74 174.004 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 825' ' ' LYS . . . . . 0.617 ' HG2' ' O ' ' A' ' 821' ' ' MET . 31.7 mmmt -62.24 -44.62 96.15 Favored 'General case' 0 N--CA 1.456 -0.126 0 CA-C-O 121.811 0.815 . . . . 2.9900000000000002 111.273 178.703 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 22.8 tpt180 -66.45 -21.99 66.2 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-N 114.33 -1.305 . . . . 4.1799999999999997 110.92 -171.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 827' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -59.54 -27.59 66.34 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.456 -0.793 . . . . 1.5600000000000001 111.178 178.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 828' ' ' ASN . . . . . 0.619 HD21 ' N ' ' A' ' 828' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.934 0 CA-C-N 115.135 -0.939 . . . . 3.1000000000000001 110.202 -173.299 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 829' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.7 0 N-CA-C 111.989 -0.444 . . . . 12.74 111.989 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 36.2 m -74.71 106.27 6.19 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 110.351 -0.24 . . . . 11.16 110.351 179.008 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 53.9 mtt180 69.1 -68.51 0.18 Allowed 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 123.416 0.686 . . . . 13.42 110.554 -176.182 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 783' ' ' GLY . . . . . 0.626 ' HA3' ' HD3' ' A' ' 793' ' ' LYS . . . 100.6 82.91 1.7 Allowed Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.952 -0.642 . . . . 8.5 112.266 -179.769 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 784' ' ' VAL . . . . . . . . . . . . . 11.9 p -123.71 128.71 74.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 120.667 0.27 . . . . 10.69 110.401 176.707 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 9.0 t70 50.52 52.37 14.98 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 121.504 0.669 . . . . 11.27 110.353 178.223 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 786' ' ' SER . . . . . 0.422 ' HA ' ' HD3' ' A' ' 787' ' ' PRO . 19.9 m -83.62 141.17 41.49 Favored Pre-proline 0 C--N 1.321 -0.643 0 CA-C-N 115.855 -0.611 . . . . 9.1699999999999999 110.598 -178.06 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 787' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 786' ' ' SER . 6.6 Cg_exo -73.95 54.13 3.04 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 123.05 2.5 . . . . 11.58 111.28 176.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 788' ' ' SER . . . . . . . . . . . . . 29.5 t -164.54 172.78 12.82 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.341 -0.985 . . . . 10.779999999999999 108.341 -177.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -76.44 55.64 1.02 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.242 0.544 . . . . 9.4100000000000001 110.827 179.087 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 790' ' ' GLU . . . . . 0.681 ' HB3' ' HD2' ' A' ' 793' ' ' LYS . 42.2 mt-10 -119.81 35.1 4.96 Favored 'General case' 0 CA--C 1.511 -0.553 0 CA-C-N 115.841 -0.618 . . . . 9.3399999999999999 111.144 -178.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 791' ' ' LEU . . . . . . . . . . . . . 82.8 mt -94.37 21.67 6.84 Favored 'General case' 0 C--N 1.307 -1.248 0 C-N-CA 119.624 -0.831 . . . . 9.25 110.221 -177.124 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -118.84 4.63 11.49 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.479 -0.782 . . . . 7.0999999999999996 110.289 -178.127 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 793' ' ' LYS . . . . . 0.681 ' HD2' ' HB3' ' A' ' 790' ' ' GLU . 17.0 mtpp -71.81 -33.13 68.28 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.512 -0.921 . . . . 6.6299999999999999 108.512 177.508 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 794' ' ' LYS . . . . . 0.407 ' HD3' ' OE1' ' A' ' 810' ' ' GLU . 17.9 pttm -163.31 -153.97 0.26 Allowed 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 114.055 -1.429 . . . . 6.8600000000000003 108.394 176.148 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 795' ' ' ALA . . . . . 0.403 ' HB1' ' O ' ' A' ' 794' ' ' LYS . . . 79.58 -9.37 1.46 Allowed 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.368 0.667 . . . . 2.0600000000000001 110.343 -178.42 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 796' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -76.55 111.78 12.4 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.472 -0.786 . . . . 1.6799999999999999 109.661 173.7 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 797' ' ' LEU . . . . . . . . . . . . . 21.9 mt -97.54 144.95 26.72 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 115.73 -0.668 . . . . 1.3200000000000001 110.466 -176.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 798' ' ' LEU . . . . . 0.521 HD23 ' C ' ' A' ' 798' ' ' LEU . 0.0 OUTLIER -145.64 149.3 34.23 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 106.985 -1.487 . . . . 1.99 106.985 173.358 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 799' ' ' LYS . . . . . 0.43 ' H ' ' HD3' ' A' ' 799' ' ' LYS . 0.0 OUTLIER -109.46 135.52 50.36 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 117.489 -1.684 . . . . 2.3799999999999999 113.878 -167.216 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 800' ' ' CYS . . . . . 0.686 ' HB2' ' SG ' ' A' ' 819' ' ' CYS . 43.9 t -39.07 109.45 0.11 Allowed 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 112.006 -2.361 . . . . 0.40999999999999998 112.227 171.808 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -62.62 6.0 0.1 Allowed 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 113.609 0.966 . . . . 2.4199999999999999 113.609 178.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 802' ' ' TYR . . . . . . . . . . . . . 26.7 t80 -105.84 -42.08 5.24 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.291 -0.563 . . . . 1.21 110.451 177.123 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 9.5 p -116.59 -31.4 5.54 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 112.933 0.716 . . . . 0.51000000000000001 112.933 -179.582 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 97.22 22.17 17.98 Favored Glycine 0 C--N 1.32 -0.336 0 C-N-CA 120.103 -1.046 . . . . 0.27000000000000002 113.126 177.581 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 805' ' ' LYS . . . . . . . . . . . . . 32.7 mmtp -81.83 128.88 34.47 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.914 0.357 . . . . 2.73 110.27 178.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 806' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -88.24 128.37 35.47 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.534 -0.543 . . . . 1.22 109.534 179.241 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -155.39 157.78 31.76 Favored Pre-proline 0 C--N 1.316 -0.849 0 CA-C-N 115.074 -0.967 . . . . 1.0800000000000001 109.666 -176.161 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 808' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_exo -62.15 127.49 21.32 Favored 'Trans proline' 0 N--CA 1.456 -0.729 0 C-N-CA 122.175 1.917 . . . . 0.95999999999999996 111.265 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 809' ' ' ALA . . . . . . . . . . . . . . . -43.1 -28.43 0.28 Allowed 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 114.035 1.124 . . . . 1.0600000000000001 114.035 -178.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 810' ' ' GLU . . . . . 0.407 ' OE1' ' HD3' ' A' ' 794' ' ' LYS . 55.5 mt-10 -59.84 -29.66 68.42 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 120.925 0.393 . . . . 2.8599999999999999 111.864 -179.001 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -76.3 -26.14 55.55 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.222 0.534 . . . . 1.48 110.001 -175.263 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 812' ' ' PHE . . . . . 0.554 ' HB3' ' HA ' ' A' ' 816' ' ' LYS . 14.0 m-85 -70.44 69.06 0.38 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.496 -0.774 . . . . 0.68999999999999995 111.613 176.615 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 39.7 mmt180 -70.83 -40.26 72.51 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.412 -0.813 . . . . 4.71 109.89 175.41 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . -83.27 62.04 4.68 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.862 -0.685 . . . . 2.2000000000000002 111.496 175.04 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 25.7 m 70.42 143.86 0.05 Allowed 'General case' 0 C--O 1.236 0.344 0 CA-C-O 121.415 0.626 . . . . 2.1699999999999999 111.138 -177.341 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 816' ' ' LYS . . . . . 0.554 ' HA ' ' HB3' ' A' ' 812' ' ' PHE . 35.1 mmtp -75.28 56.33 0.82 Allowed 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.703 -0.681 . . . . 2.21 109.961 -179.545 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 817' ' ' ARG . . . . . 0.427 HH11 ' HD3' ' A' ' 817' ' ' ARG . 51.8 mtm-85 -143.76 -29.94 0.5 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.705 -0.679 . . . . 3.73 110.071 -175.119 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 818' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -137.63 112.42 8.92 Favored 'General case' 0 C--N 1.334 -0.093 0 CA-C-O 120.918 0.39 . . . . 0.57999999999999996 110.592 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 819' ' ' CYS . . . . . 0.686 ' SG ' ' HB2' ' A' ' 800' ' ' CYS . 1.8 p -50.2 107.75 0.18 Allowed 'General case' 0 C--O 1.221 -0.405 0 N-CA-C 114.267 1.21 . . . . 1.3600000000000001 114.267 178.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 24.8 p 89.07 -161.07 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.273 1.029 . . . . 1.76 110.505 160.348 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 821' ' ' MET . . . . . 0.523 ' HA ' ' HE3' ' A' ' 821' ' ' MET . 14.7 mmt -85.55 -54.63 4.44 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 122.098 -0.376 . . . . 2.6000000000000001 110.822 -179.317 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 822' ' ' THR . . . . . 0.431 ' O ' ' HB2' ' A' ' 826' ' ' ARG . 51.8 m -45.5 -49.13 13.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.322 -0.854 . . . . 1.3300000000000001 112.835 177.707 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 823' ' ' CYS . . . . . 0.645 ' HB2' ' O ' ' A' ' 819' ' ' CYS . 93.1 m -73.28 -42.74 62.09 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 112.24 0.459 . . . . 0.62 112.24 -176.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 824' ' ' ALA . . . . . . . . . . . . . . . -61.93 -42.76 99.47 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.666 -0.414 . . . . 0.95999999999999996 110.845 179.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -69.41 -28.85 66.51 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-O 121.466 0.651 . . . . 2.9900000000000002 110.485 178.223 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 826' ' ' ARG . . . . . 0.431 ' HB2' ' O ' ' A' ' 822' ' ' THR . 8.6 tpt180 -68.12 -24.3 65.0 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 114.726 -1.124 . . . . 4.1799999999999997 111.405 -175.864 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 827' ' ' TYR . . . . . . . . . . . . . 38.7 t80 -55.96 -29.97 61.02 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 121.473 0.654 . . . . 1.5600000000000001 110.911 -179.639 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 828' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 . . . . . 0 C--O 1.247 0.959 0 CA-C-N 115.128 -0.942 . . . . 3.1000000000000001 109.455 178.176 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 829' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.765 0 N-CA-C 111.833 -0.507 . . . . 12.74 111.833 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 13.7 p -75.7 144.81 41.37 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.096 0.474 . . . . 11.16 110.491 177.676 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 49.5 mtt180 -92.63 73.65 5.06 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.361 0.601 . . . . 13.42 110.274 -176.185 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . 73.26 -114.76 4.85 Favored Glycine 0 N--CA 1.447 -0.572 0 CA-C-N 115.332 -0.849 . . . . 8.5 111.234 -177.301 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 784' ' ' VAL . . . . . . . . . . . . . 27.1 m -100.04 11.07 6.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.367 0.603 . . . . 10.69 109.584 173.594 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 66.19 30.83 9.06 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 114.742 -1.117 . . . . 11.27 111.786 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 786' ' ' SER . . . . . 0.597 ' HB2' ' HG3' ' A' ' 790' ' ' GLU . 50.4 m -101.08 120.11 56.12 Favored Pre-proline 0 C--N 1.323 -0.575 0 N-CA-C 109.617 -0.512 . . . . 9.1699999999999999 109.617 172.22 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 787' ' ' PRO . . . . . 0.498 ' HD3' ' HA ' ' A' ' 786' ' ' SER . 2.0 Cg_endo -83.24 30.0 0.54 Allowed 'Trans proline' 0 N--CA 1.461 -0.389 0 C-N-CA 123.397 2.731 . . . . 11.58 113.064 -175.426 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 788' ' ' SER . . . . . . . . . . . . . 46.5 m -89.34 -109.2 0.08 Allowed 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.817 -0.438 . . . . 10.779999999999999 109.817 177.054 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -120.49 20.18 11.88 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 108.614 -0.884 . . . . 9.4100000000000001 108.614 171.448 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 790' ' ' GLU . . . . . 0.597 ' HG3' ' HB2' ' A' ' 786' ' ' SER . 12.2 mm-40 -76.43 -44.93 33.7 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.18 -1.373 . . . . 9.3399999999999999 111.037 -176.597 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 791' ' ' LEU . . . . . 0.711 HD23 ' H ' ' A' ' 791' ' ' LEU . 3.2 mm? -16.21 67.04 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 126.308 1.843 . . . . 9.25 115.947 -167.6 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 792' ' ' ASP . . . . . 0.42 ' O ' ' HB3' ' A' ' 793' ' ' LYS . 27.8 t70 59.33 45.69 13.64 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 121.344 0.592 . . . . 7.0999999999999996 111.365 175.703 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 793' ' ' LYS . . . . . 0.671 ' HZ1' ' HB3' ' A' ' 793' ' ' LYS . 7.2 ttpm? 78.15 -61.2 0.39 Allowed 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.232 -0.895 . . . . 6.6299999999999999 111.965 172.542 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 794' ' ' LYS . . . . . 0.48 ' HG2' ' O ' ' A' ' 791' ' ' LEU . 29.8 mmtp 71.74 -39.31 0.45 Allowed 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.128 0.971 . . . . 6.8600000000000003 113.489 176.821 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . 78.27 22.91 0.73 Allowed 'General case' 0 N--CA 1.462 0.164 0 C-N-CA 123.666 0.786 . . . . 2.0600000000000001 110.628 -179.371 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 796' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -76.14 103.47 6.2 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.526 0.679 . . . . 1.6799999999999999 110.091 176.301 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 797' ' ' LEU . . . . . . . . . . . . . 21.4 mt -92.75 149.65 21.16 Favored 'General case' 0 N--CA 1.44 -0.954 0 CA-C-N 115.74 -0.663 . . . . 1.3200000000000001 111.069 -176.363 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 798' ' ' LEU . . . . . 0.532 HD23 ' C ' ' A' ' 798' ' ' LEU . 0.0 OUTLIER -145.98 157.91 43.87 Favored 'General case' 0 C--N 1.311 -1.094 0 N-CA-C 105.453 -2.054 . . . . 1.99 105.453 166.365 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 799' ' ' LYS . . . . . 0.653 ' HD3' ' CZ ' ' A' ' 806' ' ' TYR . 62.4 pttt -116.29 139.65 50.16 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 116.896 -1.922 . . . . 2.3799999999999999 114.318 -164.817 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 800' ' ' CYS . . . . . 0.669 ' HB2' ' SG ' ' A' ' 819' ' ' CYS . 19.1 t -46.83 103.87 0.04 OUTLIER 'General case' 0 N--CA 1.444 -0.758 0 CA-C-N 111.688 -2.506 . . . . 0.40999999999999998 111.656 171.75 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -65.58 18.12 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 113.61 0.967 . . . . 2.4199999999999999 113.61 -176.683 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 802' ' ' TYR . . . . . 0.457 ' H ' ' C ' ' A' ' 800' ' ' CYS . 46.8 t80 -107.78 -45.63 3.97 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.957 0.408 . . . . 1.21 109.952 172.643 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 10.9 p -113.63 -24.02 9.44 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.173 -0.467 . . . . 0.51000000000000001 111.89 -177.054 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 89.12 19.36 50.8 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.365 -0.922 . . . . 0.27000000000000002 112.475 173.54 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 805' ' ' LYS . . . . . . . . . . . . . 33.1 mmtm -86.3 133.44 33.81 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.827 -0.434 . . . . 2.73 109.827 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 806' ' ' TYR . . . . . 0.653 ' CZ ' ' HD3' ' A' ' 799' ' ' LYS . 98.1 m-85 -84.88 129.22 34.84 Favored 'General case' 0 CA--C 1.513 -0.48 0 CA-C-O 121.254 0.55 . . . . 1.22 109.634 -177.216 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -147.83 155.34 44.5 Favored Pre-proline 0 C--N 1.315 -0.9 0 CA-C-N 114.957 -1.019 . . . . 1.0800000000000001 109.547 -174.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 808' ' ' PRO . . . . . 0.447 ' O ' ' HG3' ' A' ' 811' ' ' GLN . 11.7 Cg_exo -68.93 132.72 25.31 Favored 'Trans proline' 0 N--CA 1.458 -0.616 0 C-N-CA 122.292 1.994 . . . . 0.95999999999999996 111.461 -176.076 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 809' ' ' ALA . . . . . . . . . . . . . . . -42.34 -28.97 0.23 Allowed 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 115.023 -0.989 . . . . 1.0600000000000001 113.357 179.31 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 810' ' ' GLU . . . . . 0.409 ' O ' ' HG3' ' A' ' 813' ' ' ARG . 0.2 OUTLIER -52.33 -47.75 65.86 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 112.523 0.564 . . . . 2.8599999999999999 112.523 178.821 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 811' ' ' GLN . . . . . 0.447 ' HG3' ' O ' ' A' ' 808' ' ' PRO . 0.5 OUTLIER -86.52 15.75 5.23 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 112.063 0.394 . . . . 1.48 112.063 -175.515 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 812' ' ' PHE . . . . . 0.665 ' HB3' ' HD3' ' A' ' 816' ' ' LYS . 36.0 m-85 -100.12 33.33 2.66 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.298 0.57 . . . . 0.68999999999999995 110.704 178.119 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 813' ' ' ARG . . . . . 0.409 ' HG3' ' O ' ' A' ' 810' ' ' GLU . 45.5 mtt180 -82.8 152.51 25.64 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.816 -0.629 . . . . 4.71 110.257 179.394 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 94.56 -54.39 2.02 Favored Glycine 0 N--CA 1.443 -0.838 0 N-CA-C 110.808 -0.917 . . . . 2.2000000000000002 110.808 -169.199 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 65.1 m -158.52 121.3 3.74 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 122.532 0.333 . . . . 2.1699999999999999 110.207 176.478 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 816' ' ' LYS . . . . . 0.665 ' HD3' ' HB3' ' A' ' 812' ' ' PHE . 33.1 mmtp -76.55 63.33 2.05 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 121.132 0.491 . . . . 2.21 110.023 178.334 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 817' ' ' ARG . . . . . . . . . . . . . 15.8 mtt180 -151.26 -32.16 0.16 Allowed 'General case' 0 C--N 1.318 -0.779 0 C-N-CA 123.651 0.78 . . . . 3.73 110.107 -173.199 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 818' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -134.5 163.1 30.46 Favored 'General case' 0 N--CA 1.442 -0.864 0 N-CA-C 109.479 -0.563 . . . . 0.57999999999999996 109.479 -178.283 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 819' ' ' CYS . . . . . 0.669 ' SG ' ' HB2' ' A' ' 800' ' ' CYS . 0.0 OUTLIER -66.22 -161.04 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.767 -0.827 . . . . 1.3600000000000001 108.767 168.58 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 21.3 m -69.38 -119.42 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 112.906 0.706 . . . . 1.76 112.906 -162.271 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 821' ' ' MET . . . . . 0.436 ' O ' ' HB3' ' A' ' 825' ' ' LYS . 42.7 mmm -81.49 -54.71 5.21 Favored 'General case' 0 CA--C 1.506 -0.731 0 O-C-N 120.97 -1.081 . . . . 2.6000000000000001 111.37 -170.599 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 822' ' ' THR . . . . . . . . . . . . . 1.6 m -45.95 -54.49 8.2 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 123.775 0.672 . . . . 1.3300000000000001 112.088 -178.344 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 823' ' ' CYS . . . . . . . . . . . . . 58.0 m -72.64 -44.98 61.19 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 113.064 0.764 . . . . 0.62 113.064 -174.224 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 824' ' ' ALA . . . . . . . . . . . . . . . -60.89 -41.23 95.62 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.575 -0.45 . . . . 0.95999999999999996 110.553 176.484 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 825' ' ' LYS . . . . . 0.436 ' HB3' ' O ' ' A' ' 821' ' ' MET . 57.4 tttt -62.53 -38.56 90.46 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-O 121.635 0.731 . . . . 2.9900000000000002 111.308 174.234 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 826' ' ' ARG . . . . . 0.448 ' HG3' ' CE2' ' A' ' 802' ' ' TYR . 17.4 tpp180 -68.41 -27.95 66.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 114.663 -1.153 . . . . 4.1799999999999997 111.266 -175.228 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 827' ' ' TYR . . . . . . . . . . . . . 37.5 t80 -56.34 -39.03 72.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.057 -0.52 . . . . 1.5600000000000001 111.481 -179.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 828' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.248 0.999 0 CA-C-O 117.899 -1.048 . . . . 3.1000000000000001 109.839 -173.51 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 829' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.616 0 N-CA-C 112.062 -0.415 . . . . 12.74 112.062 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.3 m -127.29 36.21 4.44 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.437 0.637 . . . . 11.16 109.58 179.459 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 39.3 ptt180 -144.52 144.33 31.28 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.885 -0.598 . . . . 13.42 111.703 -172.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -116.79 122.02 5.35 Favored Glycine 0 N--CA 1.448 -0.503 0 N-CA-C 110.235 -1.146 . . . . 8.5 110.235 173.019 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 784' ' ' VAL . . . . . . . . . . . . . 33.7 m -98.63 -40.39 9.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 117.433 0.616 . . . . 10.69 111.715 -174.311 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -158.11 97.81 1.55 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.984 -0.747 . . . . 11.27 108.984 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 786' ' ' SER . . . . . . . . . . . . . 19.0 m -120.19 121.65 29.33 Favored Pre-proline 0 C--N 1.318 -0.77 0 CA-C-N 116.291 -0.413 . . . . 9.1699999999999999 111.001 -175.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 787' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_exo -67.4 -26.29 41.18 Favored 'Trans proline' 0 N--CA 1.464 -0.227 0 C-N-CA 122.802 2.335 . . . . 11.58 110.79 172.114 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 788' ' ' SER . . . . . . . . . . . . . 14.0 m -82.84 167.83 17.71 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.056 -0.975 . . . . 10.779999999999999 110.089 177.082 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -83.97 47.51 1.32 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.241 0.543 . . . . 9.4100000000000001 110.549 -178.637 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 790' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -92.28 -7.62 47.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.1 -0.5 . . . . 9.3399999999999999 111.535 -178.026 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 791' ' ' LEU . . . . . . . . . . . . . 90.5 mt -80.55 12.53 3.02 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.374 0.607 . . . . 9.25 110.792 -177.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -132.16 6.38 4.21 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.267 -0.879 . . . . 7.0999999999999996 109.557 177.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 793' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -71.86 -38.11 70.13 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.611 -0.722 . . . . 6.6299999999999999 109.71 -178.046 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 46.9 pttt -161.08 -131.03 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 108.28 -1.007 . . . . 6.8600000000000003 108.28 174.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 795' ' ' ALA . . . . . 0.447 ' O ' ' HG ' ' A' ' 797' ' ' LEU . . . 63.22 13.84 7.26 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.959 0.409 . . . . 2.0600000000000001 111.271 -178.027 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 796' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -77.08 92.22 3.74 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.783 0.801 . . . . 1.6799999999999999 109.591 175.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 797' ' ' LEU . . . . . 0.447 ' HG ' ' O ' ' A' ' 795' ' ' ALA . 22.4 mt -94.89 152.58 18.25 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-O 121.816 0.817 . . . . 1.3200000000000001 111.724 -171.041 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 798' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -147.93 179.36 7.79 Favored 'General case' 0 C--N 1.312 -1.063 0 N-CA-C 104.699 -2.334 . . . . 1.99 104.699 169.507 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 799' ' ' LYS . . . . . 0.433 ' HB2' ' O ' ' A' ' 805' ' ' LYS . 0.0 OUTLIER -147.28 146.18 29.65 Favored 'General case' 0 N--CA 1.442 -0.833 0 C-N-CA 116.22 -2.192 . . . . 2.3799999999999999 115.226 -172.782 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 800' ' ' CYS . . . . . 0.547 ' HB2' ' SG ' ' A' ' 819' ' ' CYS . 6.9 t -41.85 104.21 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 111.319 -2.673 . . . . 0.40999999999999998 112.779 175.244 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -61.91 7.52 0.05 Allowed 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 113.171 0.804 . . . . 2.4199999999999999 113.171 174.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 802' ' ' TYR . . . . . 0.445 ' H ' ' C ' ' A' ' 800' ' ' CYS . 18.3 t80 -105.58 -46.85 4.07 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 122.078 -0.389 . . . . 1.21 110.118 177.158 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 5.5 p -117.39 -27.08 6.49 Favored 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 112.964 0.728 . . . . 0.51000000000000001 112.964 -177.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 96.52 23.53 16.06 Favored Glycine 0 CA--C 1.517 0.213 0 C-N-CA 120.469 -0.872 . . . . 0.27000000000000002 113.41 173.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 805' ' ' LYS . . . . . 0.433 ' O ' ' HB2' ' A' ' 799' ' ' LYS . 0.0 OUTLIER -82.27 124.44 29.95 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.832 0.316 . . . . 2.73 110.453 178.687 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 806' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -87.54 129.06 35.22 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-O 121.1 0.476 . . . . 1.22 109.881 -178.322 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -158.48 165.66 18.09 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-N 115.047 -0.978 . . . . 1.0800000000000001 110.237 -172.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 808' ' ' PRO . . . . . . . . . . . . . 15.2 Cg_exo -68.28 130.0 20.35 Favored 'Trans proline' 0 N--CA 1.459 -0.527 0 C-N-CA 122.145 1.897 . . . . 0.95999999999999996 111.674 -178.358 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 809' ' ' ALA . . . . . . . . . . . . . . . -43.01 -27.94 0.23 Allowed 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 114.88 -1.055 . . . . 1.0600000000000001 113.509 178.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -57.41 -38.83 74.94 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.915 0.709 . . . . 2.8599999999999999 112.915 -176.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -74.48 -20.75 59.88 Favored 'General case' 0 C--O 1.234 0.273 0 C-N-CA 121.225 -0.19 . . . . 1.48 111.212 -176.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 812' ' ' PHE . . . . . 0.576 ' HB3' ' HA ' ' A' ' 816' ' ' LYS . 11.5 m-85 -70.54 60.83 0.22 Allowed 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 112.713 0.634 . . . . 0.68999999999999995 112.713 179.046 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 14.3 mmm180 -73.7 -22.19 60.0 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.492 -0.776 . . . . 4.71 110.878 173.585 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . -97.84 58.73 1.06 Allowed Glycine 0 N--CA 1.444 -0.807 0 N-CA-C 110.793 -0.923 . . . . 2.2000000000000002 110.793 175.53 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 28.7 t 73.99 138.09 0.06 Allowed 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.502 0.668 . . . . 2.1699999999999999 110.458 -175.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 816' ' ' LYS . . . . . 0.576 ' HA ' ' HB3' ' A' ' 812' ' ' PHE . 30.8 mmtp -76.5 56.83 1.14 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.572 -0.74 . . . . 2.21 109.633 179.669 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 817' ' ' ARG . . . . . . . . . . . . . 68.9 mtm180 -147.71 -29.47 0.33 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.95 -1.023 . . . . 3.73 109.945 -174.398 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 818' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -132.62 132.83 42.9 Favored 'General case' 0 CA--C 1.516 -0.337 0 N-CA-C 109.678 -0.49 . . . . 0.57999999999999996 109.678 -179.096 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 819' ' ' CYS . . . . . 0.547 ' SG ' ' HB2' ' A' ' 800' ' ' CYS . 2.6 p -74.97 104.85 5.72 Favored 'General case' 0 N--CA 1.439 -0.984 0 C-N-CA 120.525 -0.47 . . . . 1.3600000000000001 111.0 -173.079 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 27.6 p 87.51 -154.74 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.199 0.999 . . . . 1.76 110.248 161.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 821' ' ' MET . . . . . 0.458 ' HA ' ' HE2' ' A' ' 821' ' ' MET . 31.3 mmt -85.29 -59.72 2.24 Favored 'General case' 0 C--N 1.328 -0.346 0 O-C-N 122.229 -0.295 . . . . 2.6000000000000001 111.34 -172.413 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 822' ' ' THR . . . . . . . . . . . . . 25.9 m -44.97 -50.28 10.69 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 123.494 0.718 . . . . 1.3300000000000001 112.822 177.546 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 823' ' ' CYS . . . . . 0.517 ' HB2' ' O ' ' A' ' 819' ' ' CYS . 72.9 m -69.77 -43.42 72.22 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 112.779 0.659 . . . . 0.62 112.779 -176.689 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 824' ' ' ALA . . . . . . . . . . . . . . . -62.03 -43.83 98.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.098 0.475 . . . . 0.95999999999999996 110.246 177.137 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 825' ' ' LYS . . . . . 0.405 ' HE2' ' HB3' ' A' ' 825' ' ' LYS . 50.6 mtpt -65.05 -30.25 71.21 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-N 115.788 -0.642 . . . . 2.9900000000000002 111.162 177.124 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 22.2 tpt180 -65.18 -28.17 69.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.303 0.573 . . . . 4.1799999999999997 110.008 -177.172 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 827' ' ' TYR . . . . . . . . . . . . . 46.3 t80 -89.4 27.67 1.41 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.538 -0.756 . . . . 1.5600000000000001 110.116 177.055 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 828' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.574 -0.727 . . . . 3.1000000000000001 109.673 170.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 829' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.738 0 N-CA-C 111.665 -0.574 . . . . 12.74 111.665 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.446 ' CG2' ' HB ' ' A' ' 784' ' ' VAL . 26.4 m 58.96 65.28 1.24 Allowed 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.866 0.841 . . . . 11.16 111.085 177.58 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 5.2 ptp85 -101.98 -13.69 17.47 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.141 -0.936 . . . . 13.42 109.409 175.709 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -128.04 74.92 0.43 Allowed Glycine 0 N--CA 1.446 -0.667 0 N-CA-C 110.81 -0.916 . . . . 8.5 110.81 174.384 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 784' ' ' VAL . . . . . 0.446 ' HB ' ' CG2' ' A' ' 2' ' ' THR . 7.7 p -94.69 120.09 43.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 120.968 0.413 . . . . 10.69 110.988 -177.571 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 50.15 38.69 17.71 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.314 -0.857 . . . . 11.27 111.89 179.033 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 786' ' ' SER . . . . . . . . . . . . . 21.9 m -77.79 121.7 84.58 Favored Pre-proline 0 C--N 1.321 -0.651 0 CA-C-N 115.639 -0.71 . . . . 9.1699999999999999 110.356 178.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 787' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -57.92 -53.08 4.78 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.744 2.296 . . . . 11.58 110.538 172.151 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 788' ' ' SER . . . . . 0.477 ' O ' ' HB2' ' A' ' 792' ' ' ASP . 33.7 t -99.85 127.41 46.02 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.782 -0.821 . . . . 10.779999999999999 108.782 170.525 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -59.36 -31.3 69.08 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.653 -0.703 . . . . 9.4100000000000001 111.906 -174.496 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 790' ' ' GLU . . . . . 0.594 ' HA ' ' HB2' ' A' ' 793' ' ' LYS . 41.4 mm-40 -115.53 -37.31 4.02 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.256 0.465 . . . . 9.3399999999999999 112.256 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 791' ' ' LEU . . . . . . . . . . . . . 90.4 mt -75.13 -14.8 60.59 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-O 121.461 0.648 . . . . 9.25 110.962 -177.467 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 792' ' ' ASP . . . . . 0.477 ' HB2' ' O ' ' A' ' 788' ' ' SER . 11.2 m-20 -118.36 19.57 13.37 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 115.141 -0.936 . . . . 7.0999999999999996 109.233 174.288 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 793' ' ' LYS . . . . . 0.594 ' HB2' ' HA ' ' A' ' 790' ' ' GLU . 29.0 tttp -72.32 -27.08 62.21 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 115.118 -0.946 . . . . 6.6299999999999999 108.637 176.721 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 30.0 mmmt -79.37 -46.11 18.25 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 114.865 -1.061 . . . . 6.8600000000000003 110.892 179.304 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . 75.53 1.59 3.64 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 115.289 -0.869 . . . . 2.0600000000000001 111.974 177.467 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 796' ' ' ASN . . . . . 0.468 ' N ' HD21 ' A' ' 796' ' ' ASN . 0.0 OUTLIER -74.95 88.78 2.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.655 0.74 . . . . 1.6799999999999999 111.422 178.34 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 797' ' ' LEU . . . . . . . . . . . . . 16.8 mt -104.9 147.7 27.48 Favored 'General case' 0 N--CA 1.445 -0.678 0 O-C-N 121.763 -0.586 . . . . 1.3200000000000001 110.011 -178.006 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 798' ' ' LEU . . . . . 0.546 HD21 ' N ' ' A' ' 799' ' ' LYS . 0.0 OUTLIER -151.07 173.26 14.56 Favored 'General case' 0 C--N 1.312 -1.065 0 N-CA-C 105.84 -1.911 . . . . 1.99 105.84 172.518 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 799' ' ' LYS . . . . . 0.546 ' N ' HD21 ' A' ' 798' ' ' LEU . 0.0 OUTLIER -131.0 144.73 51.7 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 116.896 -1.921 . . . . 2.3799999999999999 114.503 -168.041 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 800' ' ' CYS . . . . . 0.498 ' C ' ' H ' ' A' ' 802' ' ' TYR . 43.7 t -47.3 112.2 0.5 Allowed 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 111.451 -2.613 . . . . 0.40999999999999998 111.595 177.289 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -62.31 13.9 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 113.089 0.774 . . . . 2.4199999999999999 113.089 176.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 802' ' ' TYR . . . . . 0.498 ' H ' ' C ' ' A' ' 800' ' ' CYS . 30.6 t80 -108.43 -88.72 0.48 Allowed 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.664 -0.865 . . . . 1.21 108.664 169.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 7.6 p -62.89 -42.98 99.97 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 113.124 0.787 . . . . 0.51000000000000001 113.124 176.329 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 95.52 23.78 17.93 Favored Glycine 0 C--N 1.315 -0.628 0 C-N-CA 120.072 -1.061 . . . . 0.27000000000000002 112.872 176.547 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 805' ' ' LYS . . . . . . . . . . . . . 23.6 ttpt -83.61 140.51 32.16 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.679 0.276 . . . . 2.73 110.462 177.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 806' ' ' TYR . . . . . 0.542 ' CZ ' ' HD2' ' A' ' 799' ' ' LYS . 29.7 m-85 -83.88 135.06 34.64 Favored 'General case' 0 CA--C 1.515 -0.379 0 CA-C-N 115.718 -0.674 . . . . 1.22 110.85 -176.847 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -157.68 155.3 26.73 Favored Pre-proline 0 C--N 1.317 -0.817 0 CA-C-N 115.057 -0.974 . . . . 1.0800000000000001 110.328 -175.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 808' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_exo -62.67 128.12 22.52 Favored 'Trans proline' 0 N--CA 1.458 -0.597 0 C-N-CA 122.285 1.99 . . . . 0.95999999999999996 111.022 177.12 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 809' ' ' ALA . . . . . . . . . . . . . . . -44.02 -23.98 0.12 Allowed 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 113.84 1.052 . . . . 1.0600000000000001 113.84 179.664 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.44 -34.22 68.74 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 122.961 0.504 . . . . 2.8599999999999999 110.683 178.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -78.68 -25.16 44.78 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 116.133 -0.485 . . . . 1.48 110.789 -174.203 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 812' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -68.64 58.54 0.09 Allowed 'General case' 0 CA--C 1.531 0.239 0 CA-C-O 121.76 0.79 . . . . 0.68999999999999995 111.699 175.385 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 68.1 mtt180 -82.41 144.48 30.46 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 114.537 -1.211 . . . . 4.71 110.087 177.742 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 91.49 -48.67 2.87 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.876 -0.678 . . . . 2.2000000000000002 111.791 -176.403 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 12.1 p -160.74 126.11 3.82 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.712 0.291 . . . . 2.1699999999999999 110.847 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -78.4 57.93 2.04 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 121.542 0.687 . . . . 2.21 110.045 179.456 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 817' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -136.23 -34.85 0.77 Allowed 'General case' 0 C--N 1.319 -0.76 0 C-N-CA 124.001 0.92 . . . . 3.73 109.167 -175.499 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 818' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -136.44 164.26 28.58 Favored 'General case' 0 N--CA 1.442 -0.863 0 N-CA-C 108.377 -0.971 . . . . 0.57999999999999996 108.377 -176.207 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 819' ' ' CYS . . . . . 0.416 ' SG ' ' HB2' ' A' ' 800' ' ' CYS . 1.3 p -67.21 -158.82 0.02 OUTLIER 'General case' 0 C--N 1.31 -1.121 0 N-CA-C 108.488 -0.93 . . . . 1.3600000000000001 108.488 168.664 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 48.4 p -67.26 -120.49 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 113.985 1.106 . . . . 1.76 113.985 -158.188 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 821' ' ' MET . . . . . 0.548 ' O ' ' HG2' ' A' ' 825' ' ' LYS . 32.5 mmt -83.67 -64.58 1.14 Allowed 'General case' 0 C--N 1.319 -0.726 0 O-C-N 120.95 -1.093 . . . . 2.6000000000000001 111.836 -163.052 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 822' ' ' THR . . . . . . . . . . . . . 18.2 m -45.55 -46.09 13.88 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 112.847 0.684 . . . . 1.3300000000000001 112.847 -178.046 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 823' ' ' CYS . . . . . . . . . . . . . 86.9 m -73.52 -50.31 22.11 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 112.811 0.671 . . . . 0.62 112.811 -174.66 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 824' ' ' ALA . . . . . . . . . . . . . . . -57.75 -42.74 84.56 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-O 121.116 0.484 . . . . 0.95999999999999996 110.213 178.708 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 825' ' ' LYS . . . . . 0.548 ' HG2' ' O ' ' A' ' 821' ' ' MET . 25.9 mmmt -65.7 -39.28 91.09 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.606 -0.724 . . . . 2.9900000000000002 111.633 -179.549 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 826' ' ' ARG . . . . . 0.6 ' HA ' ' NE ' ' A' ' 826' ' ' ARG . 1.4 tpm_? -69.69 -27.47 65.03 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.796 -0.361 . . . . 4.1799999999999997 111.565 -171.055 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 827' ' ' TYR . . . . . . . . . . . . . 63.1 t80 -80.24 -20.07 45.4 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.638 -0.504 . . . . 1.5600000000000001 109.638 -177.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 828' ' ' ASN . . . . . . . . . . . . . 26.5 m-80 . . . . . 0 C--O 1.251 1.142 0 CA-C-O 118.406 -0.807 . . . . 3.1000000000000001 110.163 176.0 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 829' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.707 0 N-CA-C 111.754 -0.539 . . . . 12.74 111.754 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 22.0 m 62.42 91.62 0.06 Allowed 'General case' 0 CA--C 1.532 0.282 0 CA-C-O 121.371 0.605 . . . . 11.16 111.739 178.517 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' A' ' 3' ' ' ARG . 43.9 mtm180 -109.23 -8.98 15.03 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.385 0.612 . . . . 13.42 109.978 176.523 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -143.36 -179.54 20.07 Favored Glycine 0 N--CA 1.444 -0.769 0 CA-C-N 115.502 -0.772 . . . . 8.5 111.288 177.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 784' ' ' VAL . . . . . . . . . . . . . 4.5 p -140.7 84.18 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 121.576 0.703 . . . . 10.69 109.456 179.184 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 59.51 40.65 20.26 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.292 -0.867 . . . . 11.27 109.052 -171.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 786' ' ' SER . . . . . . . . . . . . . 13.8 m -107.46 127.94 26.87 Favored Pre-proline 0 N--CA 1.449 -0.485 0 CA-C-N 115.15 -0.932 . . . . 9.1699999999999999 110.857 -173.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 787' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -68.63 -21.85 38.77 Favored 'Trans proline' 0 C--N 1.343 0.246 0 C-N-CA 123.223 2.615 . . . . 11.58 111.66 176.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 788' ' ' SER . . . . . 0.616 ' HB3' ' HB3' ' A' ' 792' ' ' ASP . 46.1 t -128.98 162.27 27.99 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.46 -0.791 . . . . 10.779999999999999 108.948 177.132 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -61.69 -72.05 0.13 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.708 0.29 . . . . 9.4100000000000001 110.973 -177.411 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 790' ' ' GLU . . . . . 0.458 ' HA ' ' HE2' ' A' ' 793' ' ' LYS . 55.5 mt-10 -121.45 -26.62 4.95 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.039 0.385 . . . . 9.3399999999999999 112.039 -178.86 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 791' ' ' LEU . . . . . . . . . . . . . 7.8 mp -71.96 -16.75 62.09 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 121.147 0.498 . . . . 9.25 111.904 -171.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 792' ' ' ASP . . . . . 0.616 ' HB3' ' HB3' ' A' ' 788' ' ' SER . 36.0 t70 -128.34 57.94 1.56 Allowed 'General case' 0 C--N 1.307 -1.247 0 CA-C-O 122.447 1.118 . . . . 7.0999999999999996 108.298 175.037 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 793' ' ' LYS . . . . . 0.458 ' HE2' ' HA ' ' A' ' 790' ' ' GLU . 38.9 ttpt -165.8 -39.92 0.03 OUTLIER 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 113.773 -1.558 . . . . 6.6299999999999999 107.879 -177.557 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 794' ' ' LYS . . . . . 0.444 ' HD2' ' N ' ' A' ' 794' ' ' LYS . 0.1 OUTLIER 64.17 91.41 0.08 Allowed 'General case' 0 C--O 1.234 0.279 0 CA-C-N 114.931 -1.031 . . . . 6.8600000000000003 110.445 176.889 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 795' ' ' ALA . . . . . 0.402 ' HB2' ' HE3' ' A' ' 793' ' ' LYS . . . -163.59 51.44 0.15 Allowed 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 113.789 -1.55 . . . . 2.0600000000000001 107.057 -176.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 796' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -149.17 56.75 1.0 Allowed 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 113.023 -1.899 . . . . 1.6799999999999999 106.676 -174.17 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 797' ' ' LEU . . . . . . . . . . . . . 10.2 mt -88.76 153.96 20.66 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 112.767 -2.015 . . . . 1.3200000000000001 112.247 -167.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 798' ' ' LEU . . . . . 0.504 HD23 ' C ' ' A' ' 798' ' ' LEU . 0.0 OUTLIER -145.85 142.95 29.3 Favored 'General case' 0 C--N 1.315 -0.908 0 N-CA-C 106.271 -1.751 . . . . 1.99 106.271 166.796 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 799' ' ' LYS . . . . . 0.548 ' H ' ' HD3' ' A' ' 799' ' ' LYS . 0.0 OUTLIER -99.77 136.43 39.7 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 118.117 -1.433 . . . . 2.3799999999999999 114.401 -164.581 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 800' ' ' CYS . . . . . 0.553 ' HB2' ' SG ' ' A' ' 819' ' ' CYS . 46.8 t -43.12 107.38 0.08 Allowed 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 111.885 -2.416 . . . . 0.40999999999999998 112.264 171.714 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -62.82 5.69 0.12 Allowed 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 113.115 0.784 . . . . 2.4199999999999999 113.115 -179.455 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 802' ' ' TYR . . . . . 0.426 ' HB2' ' CD1' ' A' ' 818' ' ' PHE . 37.8 t80 -103.27 -49.16 3.8 Favored 'General case' 0 C--N 1.328 -0.354 0 O-C-N 121.41 -0.806 . . . . 1.21 110.335 178.803 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 7.0 p -112.29 -20.09 11.98 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 111.865 0.32 . . . . 0.51000000000000001 111.865 -178.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 93.08 14.22 54.93 Favored Glycine 0 N--CA 1.445 -0.722 0 C-N-CA 120.306 -0.95 . . . . 0.27000000000000002 112.599 172.284 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 805' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -85.89 136.23 33.37 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 110.325 -0.25 . . . . 2.73 110.325 -176.226 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 806' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -87.07 131.72 34.04 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.01 0.433 . . . . 1.22 110.021 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -149.4 153.88 37.82 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-N 115.395 -0.82 . . . . 1.0800000000000001 109.901 -177.605 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 808' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -63.0 128.6 23.41 Favored 'Trans proline' 0 N--CA 1.46 -0.449 0 C-N-CA 122.335 2.023 . . . . 0.95999999999999996 111.692 -178.049 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 809' ' ' ALA . . . . . . . . . . . . . . . -45.41 -29.52 1.11 Allowed 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 114.879 -1.055 . . . . 1.0600000000000001 113.316 -177.509 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -51.66 -37.68 51.53 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 123.385 0.674 . . . . 2.8599999999999999 111.503 178.08 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -77.89 -24.8 48.33 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.737 -0.665 . . . . 1.48 111.257 -175.348 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 812' ' ' PHE . . . . . 0.653 ' HB3' ' HA ' ' A' ' 816' ' ' LYS . 36.7 m-85 -69.81 49.84 0.1 Allowed 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 113.941 1.089 . . . . 0.68999999999999995 113.941 179.558 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 75.2 mtt180 -81.4 145.33 30.86 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.733 -0.667 . . . . 4.71 109.407 173.041 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 94.84 -54.48 1.92 Allowed Glycine 0 N--CA 1.445 -0.727 0 N-CA-C 110.921 -0.871 . . . . 2.2000000000000002 110.921 -172.514 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 18.5 p -161.56 123.5 2.92 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.422 0.153 . . . . 2.1699999999999999 110.63 178.465 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 816' ' ' LYS . . . . . 0.653 ' HA ' ' HB3' ' A' ' 812' ' ' PHE . 96.0 mttt -78.51 64.89 3.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.694 0.759 . . . . 2.21 109.544 177.539 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 817' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -148.03 -34.37 0.23 Allowed 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 114.52 -1.218 . . . . 3.73 109.458 -172.449 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 818' ' ' PHE . . . . . 0.426 ' CD1' ' HB2' ' A' ' 802' ' ' TYR . 69.5 m-85 -136.75 139.81 42.12 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.189 -0.671 . . . . 0.57999999999999996 109.189 -175.116 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 819' ' ' CYS . . . . . 0.553 ' SG ' ' HB2' ' A' ' 800' ' ' CYS . 2.0 p -75.0 102.86 4.97 Favored 'General case' 0 N--CA 1.439 -1.015 0 C-N-CA 119.754 -0.778 . . . . 1.3600000000000001 111.001 -174.231 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 820' ' ' SER . . . . . 0.412 ' HB3' ' O ' ' A' ' 819' ' ' CYS . 34.9 t 88.36 -158.21 0.01 OUTLIER 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.132 0.573 . . . . 1.76 109.905 162.154 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 821' ' ' MET . . . . . 0.459 ' HE1' ' HA ' ' A' ' 821' ' ' MET . 31.7 mmt -82.66 -54.71 4.93 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 111.718 0.266 . . . . 2.6000000000000001 111.718 -173.121 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 822' ' ' THR . . . . . . . . . . . . . 3.9 m -44.17 -52.49 7.29 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 123.786 0.834 . . . . 1.3300000000000001 112.837 177.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 823' ' ' CYS . . . . . . . . . . . . . 98.4 m -69.92 -48.15 59.64 Favored 'General case' 0 C--N 1.312 -1.051 0 N-CA-C 112.778 0.658 . . . . 0.62 112.778 -176.134 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 824' ' ' ALA . . . . . . . . . . . . . . . -60.45 -46.74 88.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.248 -0.433 . . . . 0.95999999999999996 111.485 -177.361 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 19.9 ptmt -65.78 -30.9 71.62 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 116.013 -0.539 . . . . 2.9900000000000002 110.298 -178.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 43.9 ttt180 -70.63 -25.1 62.87 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.562 -0.745 . . . . 4.1799999999999997 110.646 -173.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 827' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -84.38 24.89 0.92 Allowed 'General case' 0 CA--C 1.535 0.384 0 CA-C-O 121.914 0.864 . . . . 1.5600000000000001 109.909 177.017 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 828' ' ' ASN . . . . . 0.449 HD21 ' N ' ' A' ' 828' ' ' ASN . 0.1 OUTLIER . . . . . 0 C--O 1.245 0.817 0 CA-C-N 115.965 -0.561 . . . . 3.1000000000000001 110.505 169.505 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 829' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 796' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.233 0.21 0 CA-C-O 121.435 0.636 . . . . 1.6799999999999999 111.522 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 797' ' ' LEU . . . . . 0.437 HD22 ' C ' ' A' ' 807' ' ' ALA . 15.6 mt -98.17 152.6 19.19 Favored 'General case' 0 N--CA 1.441 -0.92 0 CA-C-O 122.093 0.949 . . . . 0.55000000000000004 112.275 -178.643 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 798' ' ' LEU . . . . . 0.497 HD12 ' N ' ' A' ' 799' ' ' LYS . 1.0 OUTLIER -145.23 179.91 7.07 Favored 'General case' 0 C--N 1.305 -1.366 0 N-CA-C 103.717 -2.698 . . . . 1.3100000000000001 103.717 166.714 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 799' ' ' LYS . . . . . 0.497 ' N ' HD12 ' A' ' 798' ' ' LEU . 0.0 OUTLIER -145.01 148.0 33.25 Favored 'General case' 0 C--N 1.315 -0.892 0 C-N-CA 116.75 -1.98 . . . . 1.78 113.547 -176.02 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 800' ' ' CYS . . . . . 0.47 ' HA ' ' HA ' ' A' ' 818' ' ' PHE . 53.9 t -49.62 111.33 0.49 Allowed 'General case' 0 N--CA 1.44 -0.933 0 CA-C-N 112.366 -2.197 . . . . 0.29999999999999999 111.26 178.742 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 55.4 mm-40 -62.92 12.88 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 112.667 0.617 . . . . 2.4199999999999999 112.667 177.098 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 802' ' ' TYR . . . . . 0.457 ' H ' ' C ' ' A' ' 800' ' ' CYS . 36.0 t80 -105.81 -89.63 0.43 Allowed 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 108.672 -0.862 . . . . 0.87 108.672 171.004 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 3.2 p -65.45 -32.74 74.52 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 113.841 1.052 . . . . 0.28999999999999998 113.841 177.62 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 90.85 20.13 41.04 Favored Glycine 0 C--N 1.318 -0.46 0 C-N-CA 119.833 -1.175 . . . . 0.27000000000000002 113.358 174.847 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 805' ' ' LYS . . . . . . . . . . . . . 64.1 mttm -82.16 136.69 35.1 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.688 0.28 . . . . 2.3100000000000001 110.635 178.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 806' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -88.15 138.41 31.47 Favored 'General case' 0 CA--C 1.514 -0.414 0 CA-C-N 115.752 -0.658 . . . . 0.93000000000000005 109.83 -177.045 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 807' ' ' ALA . . . . . 0.437 ' C ' HD22 ' A' ' 797' ' ' LEU . . . -157.09 160.68 30.47 Favored Pre-proline 0 C--N 1.315 -0.912 0 CA-C-N 115.386 -0.825 . . . . 0.31 109.477 -176.003 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 808' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_exo -63.23 125.85 16.61 Favored 'Trans proline' 0 N--CA 1.451 -0.983 0 C-N-CA 121.37 1.38 . . . . 0.56999999999999995 109.909 176.369 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 809' ' ' ALA . . . . . 0.501 ' HA ' ' CD1' ' A' ' 812' ' ' PHE . . . -42.08 -26.96 0.11 Allowed 'General case' 0 N--CA 1.477 0.879 0 O-C-N 124.45 1.093 . . . . 0.28999999999999998 113.568 -177.023 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -61.32 -26.35 67.74 Favored 'General case' 0 C--N 1.318 -0.768 0 C-N-CA 122.885 0.474 . . . . 2.8599999999999999 112.2 178.566 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -87.29 -2.07 58.36 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.664 0.745 . . . . 1.28 109.769 -177.399 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 812' ' ' PHE . . . . . 0.501 ' CD1' ' HA ' ' A' ' 809' ' ' ALA . 67.6 m-85 -91.86 62.84 4.42 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 122.144 0.973 . . . . 0.54000000000000004 109.089 -176.773 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 813' ' ' ARG . . . . . 0.413 HH11 ' HD3' ' A' ' 813' ' ' ARG . 14.1 mmm-85 -71.99 -5.25 33.58 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 113.523 -1.671 . . . . 4.0599999999999996 110.645 -178.125 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . -82.64 33.83 2.77 Favored Glycine 0 N--CA 1.449 -0.451 0 N-CA-C 111.087 -0.805 . . . . 2.0600000000000001 111.087 173.446 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 16.3 m 56.61 47.11 19.12 Favored 'General case' 0 C--O 1.231 0.126 0 C-N-CA 123.29 0.636 . . . . 1.9299999999999999 111.016 -179.349 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp 55.36 58.21 4.81 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 114.891 -1.049 . . . . 1.6599999999999999 111.299 171.329 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 817' ' ' ARG . . . . . . . . . . . . . 60.0 mtt85 -144.3 -42.56 0.26 Allowed 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 107.865 -1.161 . . . . 3.2000000000000002 107.865 178.412 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 818' ' ' PHE . . . . . 0.47 ' HA ' ' HA ' ' A' ' 800' ' ' CYS . 93.0 m-85 -135.98 162.86 31.68 Favored 'General case' 0 N--CA 1.438 -1.066 0 CA-C-N 114.275 -1.329 . . . . 0.52000000000000002 108.585 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 819' ' ' CYS . . . . . . . . . . . . . 1.8 p -68.57 -157.79 0.02 OUTLIER 'General case' 0 C--N 1.315 -0.931 0 N-CA-C 108.822 -0.807 . . . . 1.3600000000000001 108.822 170.36 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 29.8 p -67.87 -131.04 0.0 OUTLIER 'General case' 0 CA--C 1.55 0.973 0 N-CA-C 113.751 1.019 . . . . 1.1799999999999999 113.751 -160.675 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 821' ' ' MET . . . . . 0.618 ' O ' ' HG2' ' A' ' 825' ' ' LYS . 32.4 mmt -78.46 -57.56 3.71 Favored 'General case' 0 CA--C 1.515 -0.394 0 O-C-N 121.001 -1.062 . . . . 2.1000000000000001 112.134 -161.117 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 822' ' ' THR . . . . . 0.429 ' O ' ' HB2' ' A' ' 826' ' ' ARG . 4.1 m -44.35 -51.98 8.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 123.701 0.626 . . . . 0.77000000000000002 112.04 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 823' ' ' CYS . . . . . . . . . . . . . 91.5 m -73.07 -54.04 9.55 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 113.777 1.028 . . . . 0.62 113.777 -175.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 824' ' ' ALA . . . . . . . . . . . . . . . -58.73 -45.08 90.42 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-O 120.652 0.263 . . . . 0.32000000000000001 111.408 -177.628 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 825' ' ' LYS . . . . . 0.618 ' HG2' ' O ' ' A' ' 821' ' ' MET . 19.1 ptmt -66.12 -27.68 68.23 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 121.018 -0.273 . . . . 2.6000000000000001 111.138 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 826' ' ' ARG . . . . . 0.429 ' HB2' ' O ' ' A' ' 822' ' ' THR . 66.8 ttt180 -73.8 -23.82 59.74 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 121.464 0.649 . . . . 3.5299999999999998 110.069 -173.619 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 827' ' ' TYR . . . . . . . . . . . . . 79.8 t80 . . . . . 0 C--N 1.327 -0.411 0 CA-C-N 115.074 -0.966 . . . . 1.49 110.051 177.189 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 796' ' ' ASN . . . . . 0.477 HD22 ' N ' ' A' ' 796' ' ' ASN . 0.0 OUTLIER . . . . . 0 CA--C 1.528 0.112 0 CA-C-O 122.026 0.917 . . . . 1.6799999999999999 109.753 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 797' ' ' LEU . . . . . . . . . . . . . 16.2 mt -90.48 147.29 23.49 Favored 'General case' 0 N--CA 1.442 -0.842 0 CA-C-N 115.624 -0.716 . . . . 0.55000000000000004 111.214 -171.448 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 798' ' ' LEU . . . . . 0.458 ' C ' HD22 ' A' ' 798' ' ' LEU . 0.0 OUTLIER -144.89 171.12 14.89 Favored 'General case' 0 C--N 1.309 -1.171 0 N-CA-C 104.814 -2.291 . . . . 1.3100000000000001 104.814 169.129 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 799' ' ' LYS . . . . . 0.458 ' HD2' ' CE2' ' A' ' 806' ' ' TYR . 0.0 OUTLIER -135.69 139.92 44.05 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 116.63 -2.028 . . . . 1.78 114.203 -171.575 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 800' ' ' CYS . . . . . 0.734 ' HB2' ' SG ' ' A' ' 819' ' ' CYS . 49.0 t -42.55 116.43 0.85 Allowed 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 111.324 -2.671 . . . . 0.29999999999999999 113.105 178.16 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -59.26 -3.48 0.41 Allowed 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 115.293 -0.867 . . . . 2.4199999999999999 112.793 176.284 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 802' ' ' TYR . . . . . 0.49 ' HB2' ' CE1' ' A' ' 818' ' ' PHE . 21.9 t80 -102.68 -49.73 3.75 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.261 -0.576 . . . . 0.87 110.899 -179.602 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 7.7 p -112.4 -27.27 8.34 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.749 0.648 . . . . 0.28999999999999998 112.749 -177.051 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 90.88 19.11 44.67 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.061 -1.066 . . . . 0.27000000000000002 112.718 174.104 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 805' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -79.45 132.02 36.24 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.937 -0.394 . . . . 2.3100000000000001 109.937 178.193 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 806' ' ' TYR . . . . . 0.458 ' CE2' ' HD2' ' A' ' 799' ' ' LYS . 73.1 m-85 -89.54 131.09 35.73 Favored 'General case' 0 CA--C 1.515 -0.37 0 N-CA-C 109.644 -0.502 . . . . 0.93000000000000005 109.644 -179.384 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -156.11 157.12 31.11 Favored Pre-proline 0 C--N 1.319 -0.743 0 CA-C-N 115.62 -0.718 . . . . 0.31 109.825 -177.047 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 808' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_exo -58.2 126.98 23.16 Favored 'Trans proline' 0 N--CA 1.461 -0.397 0 C-N-CA 122.602 2.201 . . . . 0.56999999999999995 111.584 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 809' ' ' ALA . . . . . . . . . . . . . . . -44.89 -32.98 1.78 Allowed 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 113.741 1.015 . . . . 0.28999999999999998 113.741 -177.541 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 2.7 pm0 -58.83 -28.5 66.1 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.025 -0.534 . . . . 2.8599999999999999 111.636 179.475 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -78.81 -29.6 44.94 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.271 -0.422 . . . . 1.28 110.508 -179.645 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 812' ' ' PHE . . . . . 0.748 ' HB3' ' HA ' ' A' ' 816' ' ' LYS . 33.6 m-85 -69.84 54.99 0.13 Allowed 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 113.176 0.806 . . . . 0.54000000000000004 113.176 -179.529 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 69.9 mtm-85 -79.39 14.38 1.59 Allowed 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.76 -0.655 . . . . 4.0599999999999996 110.922 175.756 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . -94.46 42.57 2.43 Favored Glycine 0 N--CA 1.444 -0.776 0 N-CA-C 110.174 -1.17 . . . . 2.0600000000000001 110.174 167.277 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 7.8 t 60.76 39.87 16.77 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 121.336 0.588 . . . . 1.9299999999999999 111.118 -178.191 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 816' ' ' LYS . . . . . 0.748 ' HA ' ' HB3' ' A' ' 812' ' ' PHE . 97.4 mttt 47.36 56.46 6.93 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 114.587 -1.188 . . . . 1.6599999999999999 111.989 165.648 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 817' ' ' ARG . . . . . . . . . . . . . 61.6 mtm180 -153.91 -31.34 0.12 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 113.538 -1.665 . . . . 3.2000000000000002 109.062 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 818' ' ' PHE . . . . . 0.49 ' CE1' ' HB2' ' A' ' 802' ' ' TYR . 81.2 m-85 -133.5 136.77 45.29 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 109.313 -0.625 . . . . 0.52000000000000002 109.313 175.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 819' ' ' CYS . . . . . 0.734 ' SG ' ' HB2' ' A' ' 800' ' ' CYS . 0.8 OUTLIER -73.98 103.54 4.51 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 116.11 -0.496 . . . . 1.3600000000000001 111.413 -173.303 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 56.5 p 82.75 -154.38 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.573 1.149 . . . . 1.1799999999999999 110.001 163.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 821' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.9 -60.38 2.03 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.846 0.355 . . . . 2.1000000000000001 111.117 -172.771 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 822' ' ' THR . . . . . 0.463 ' HA ' ' HD3' ' A' ' 825' ' ' LYS . 0.5 OUTLIER -45.56 -41.71 10.18 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 113.649 0.981 . . . . 0.77000000000000002 113.649 177.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 823' ' ' CYS . . . . . 0.584 ' HB2' ' O ' ' A' ' 819' ' ' CYS . 93.2 m -74.41 -43.83 54.62 Favored 'General case' 0 C--N 1.313 -1.003 0 N-CA-C 112.407 0.521 . . . . 0.62 112.407 178.841 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 824' ' ' ALA . . . . . . . . . . . . . . . -61.84 -44.6 96.51 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.501 -0.318 . . . . 0.32000000000000001 111.324 179.479 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 825' ' ' LYS . . . . . 0.463 ' HD3' ' HA ' ' A' ' 822' ' ' THR . 0.0 OUTLIER -64.7 -27.66 69.07 Favored 'General case' 0 C--O 1.227 -0.121 0 CA-C-O 120.965 0.412 . . . . 2.6000000000000001 110.629 178.478 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 7.4 tpp180 -66.89 -31.03 71.36 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 115.642 -0.708 . . . . 3.5299999999999998 110.873 -176.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 827' ' ' TYR . . . . . . . . . . . . . 88.7 t80 . . . . . 0 C--N 1.329 -0.324 0 C-N-CA 120.743 -0.383 . . . . 1.49 110.434 178.013 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 796' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.237 0.422 0 N-CA-C 109.264 -0.643 . . . . 1.6799999999999999 109.264 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 797' ' ' LEU . . . . . . . . . . . . . 22.3 mt -93.57 153.68 18.29 Favored 'General case' 0 N--CA 1.441 -0.914 0 CA-C-O 121.772 0.796 . . . . 0.55000000000000004 111.198 -172.148 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 798' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -150.39 -174.08 4.64 Favored 'General case' 0 C--N 1.308 -1.215 0 N-CA-C 105.031 -2.211 . . . . 1.3100000000000001 105.031 171.203 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 799' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.78 143.07 25.15 Favored 'General case' 0 C--N 1.313 -0.989 0 C-N-CA 117.118 -1.833 . . . . 1.78 114.292 -174.19 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 800' ' ' CYS . . . . . 0.631 ' HB2' ' SG ' ' A' ' 819' ' ' CYS . 39.8 t -44.75 108.09 0.11 Allowed 'General case' 0 N--CA 1.446 -0.67 0 CA-C-N 112.124 -2.307 . . . . 0.29999999999999999 112.18 178.837 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -65.01 16.2 0.02 OUTLIER 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 113.001 0.741 . . . . 2.4199999999999999 113.001 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 802' ' ' TYR . . . . . 0.455 ' H ' ' C ' ' A' ' 800' ' ' CYS . 27.8 t80 -110.56 -41.3 4.36 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 110.045 -0.354 . . . . 0.87 110.045 173.404 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 803' ' ' CYS . . . . . 0.419 ' SG ' ' SG ' ' A' ' 800' ' ' CYS . 9.1 p -116.56 -35.48 4.23 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 112.77 0.656 . . . . 0.28999999999999998 112.77 -178.856 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 96.07 22.52 19.9 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.607 -0.806 . . . . 0.27000000000000002 112.761 177.448 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 805' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -84.2 129.72 34.87 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 122.508 -0.407 . . . . 2.3100000000000001 110.056 179.139 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 806' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -84.56 136.4 33.81 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-O 121.299 0.571 . . . . 0.93000000000000005 111.187 -173.751 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -161.53 158.14 22.19 Favored Pre-proline 0 N--CA 1.446 -0.668 0 CA-C-N 114.87 -1.059 . . . . 0.31 109.609 -176.328 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 808' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo -59.87 131.17 38.19 Favored 'Trans proline' 0 N--CA 1.457 -0.657 0 C-N-CA 122.349 2.032 . . . . 0.56999999999999995 110.955 174.347 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 809' ' ' ALA . . . . . . . . . . . . . . . -43.22 -21.44 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 113.944 1.091 . . . . 0.28999999999999998 113.944 177.6 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 810' ' ' GLU . . . . . 0.504 ' O ' ' HG3' ' A' ' 813' ' ' ARG . 3.0 mm-40 -63.38 -26.44 68.75 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.91 0.707 . . . . 2.8599999999999999 112.91 179.392 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -76.5 -28.42 56.43 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.13 -0.693 . . . . 1.28 109.13 -178.412 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 812' ' ' PHE . . . . . 0.787 ' HB3' ' HA ' ' A' ' 816' ' ' LYS . 2.7 m-85 -70.29 45.13 0.07 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 114.524 -1.216 . . . . 0.54000000000000004 112.967 179.294 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 813' ' ' ARG . . . . . 0.504 ' HG3' ' O ' ' A' ' 810' ' ' GLU . 98.4 mtt180 -82.4 145.35 29.93 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.007 -0.738 . . . . 4.0599999999999996 109.007 173.724 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 93.71 -41.21 2.67 Favored Glycine 0 N--CA 1.445 -0.735 0 N-CA-C 110.976 -0.849 . . . . 2.0600000000000001 110.976 -170.141 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 12.9 p -171.03 124.98 0.65 Allowed 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 122.584 0.353 . . . . 1.9299999999999999 110.433 177.655 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 816' ' ' LYS . . . . . 0.787 ' HA ' ' HB3' ' A' ' 812' ' ' PHE . 72.6 mmtt -76.81 54.33 0.98 Allowed 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 121.221 0.534 . . . . 1.6599999999999999 110.177 179.496 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 817' ' ' ARG . . . . . . . . . . . . . 37.4 mmt180 -140.1 -30.66 0.67 Allowed 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 123.613 0.765 . . . . 3.2000000000000002 110.233 -171.478 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 818' ' ' PHE . . . . . 0.601 ' HA ' ' HA ' ' A' ' 800' ' ' CYS . 55.5 m-85 -136.59 164.28 28.57 Favored 'General case' 0 CA--C 1.512 -0.487 0 N-CA-C 109.736 -0.468 . . . . 0.52000000000000002 109.736 -177.629 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 819' ' ' CYS . . . . . 0.631 ' SG ' ' HB2' ' A' ' 800' ' ' CYS . 0.6 OUTLIER -68.37 -157.41 0.02 OUTLIER 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 108.534 -0.913 . . . . 1.3600000000000001 108.534 167.174 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 62.1 p -67.49 -137.1 0.0 OUTLIER 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 113.716 1.006 . . . . 1.1799999999999999 113.716 -159.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 821' ' ' MET . . . . . 0.419 ' SD ' ' HD2' ' A' ' 825' ' ' LYS . 0.0 OUTLIER -73.89 -51.93 14.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 121.014 -1.053 . . . . 2.1000000000000001 111.153 -159.764 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 822' ' ' THR . . . . . . . . . . . . . 7.4 m -44.23 -50.47 8.81 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 123.548 0.53 . . . . 0.77000000000000002 112.421 177.862 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 823' ' ' CYS . . . . . . . . . . . . . 69.0 m -72.37 -47.14 51.79 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 113.282 0.845 . . . . 0.62 113.282 -172.269 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 824' ' ' ALA . . . . . . . . . . . . . . . -60.82 -45.23 95.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.323 0.582 . . . . 0.32000000000000001 109.896 175.64 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 825' ' ' LYS . . . . . 0.419 ' HD2' ' SD ' ' A' ' 821' ' ' MET . 42.1 tttp -58.77 -37.09 75.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.16 -0.927 . . . . 2.6000000000000001 111.867 176.036 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 29.2 tpt180 -66.47 -33.02 74.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 3.5299999999999998 111.586 -175.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 827' ' ' TYR . . . . . . . . . . . . . 50.0 t80 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.294 -0.412 . . . . 1.49 110.038 -176.426 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 796' ' ' ASN . . . . . . . . . . . . . 9.7 p30 . . . . . 0 N--CA 1.449 -0.51 0 N-CA-C 108.86 -0.793 . . . . 1.6799999999999999 108.86 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 797' ' ' LEU . . . . . . . . . . . . . 21.6 mt -92.43 147.85 22.58 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-O 121.286 0.565 . . . . 0.55000000000000004 110.444 -170.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 798' ' ' LEU . . . . . 0.519 HD12 ' N ' ' A' ' 799' ' ' LYS . 1.3 pp -146.27 178.95 7.85 Favored 'General case' 0 C--N 1.307 -1.277 0 N-CA-C 105.26 -2.126 . . . . 1.3100000000000001 105.26 171.579 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 799' ' ' LYS . . . . . 0.519 ' N ' HD12 ' A' ' 798' ' ' LEU . 20.9 pttm -142.02 146.83 35.98 Favored 'General case' 0 N--CA 1.44 -0.963 0 C-N-CA 116.403 -2.119 . . . . 1.78 114.118 -171.598 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 800' ' ' CYS . . . . . 0.748 ' HB2' ' SG ' ' A' ' 819' ' ' CYS . 52.6 t -52.19 102.6 0.05 Allowed 'General case' 0 N--CA 1.443 -0.806 0 CA-C-N 111.747 -2.479 . . . . 0.29999999999999999 111.398 174.807 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -67.67 19.13 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 112.973 0.731 . . . . 2.4199999999999999 112.973 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 802' ' ' TYR . . . . . 0.466 ' H ' ' C ' ' A' ' 800' ' ' CYS . 60.5 t80 -105.44 -44.23 4.76 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.454 -0.573 . . . . 0.87 109.454 171.389 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 803' ' ' CYS . . . . . 0.457 ' SG ' ' SG ' ' A' ' 800' ' ' CYS . 19.4 p -114.04 -27.14 7.8 Favored 'General case' 0 N--CA 1.463 0.209 0 N-CA-C 112.414 0.524 . . . . 0.28999999999999998 112.414 -178.466 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 804' ' ' GLY . . . . . 0.46 ' O ' ' HD2' ' A' ' 799' ' ' LYS . . . 91.62 17.61 48.26 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.284 -0.96 . . . . 0.27000000000000002 112.367 173.833 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 805' ' ' LYS . . . . . 0.409 ' HA ' ' HD3' ' A' ' 805' ' ' LYS . 41.8 mmtm -87.02 131.09 34.2 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 110.29 -0.263 . . . . 2.3100000000000001 110.29 -177.876 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 806' ' ' TYR . . . . . 0.49 ' CZ ' ' HD3' ' A' ' 799' ' ' LYS . 24.7 m-85 -88.56 137.94 31.87 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-O 120.922 0.392 . . . . 0.93000000000000005 110.011 -175.438 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -160.21 162.15 24.48 Favored Pre-proline 0 C--N 1.321 -0.64 0 CA-C-N 115.407 -0.815 . . . . 0.31 109.943 -176.529 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 808' ' ' PRO . . . . . 0.429 ' O ' ' HG2' ' A' ' 811' ' ' GLN . 20.2 Cg_exo -66.05 128.61 19.99 Favored 'Trans proline' 0 N--CA 1.462 -0.376 0 C-N-CA 122.435 2.09 . . . . 0.56999999999999995 111.355 -178.243 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 809' ' ' ALA . . . . . 0.486 ' O ' ' HE3' ' A' ' 816' ' ' LYS . . . -42.95 -29.72 0.35 Allowed 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 113.697 0.999 . . . . 0.28999999999999998 113.697 -178.836 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 22.7 tp10 -57.57 -38.94 75.65 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 123.129 0.572 . . . . 2.8599999999999999 112.495 -177.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 811' ' ' GLN . . . . . 0.429 ' HG2' ' O ' ' A' ' 808' ' ' PRO . 2.7 pt20 -75.79 -18.88 59.35 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 121.191 -0.203 . . . . 1.28 111.117 -177.238 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 812' ' ' PHE . . . . . 0.561 ' HB3' ' HA ' ' A' ' 816' ' ' LYS . 77.7 m-85 -69.33 62.96 0.15 Allowed 'General case' 0 CA--C 1.53 0.177 0 CA-C-O 121.733 0.778 . . . . 0.54000000000000004 112.057 174.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 85.8 mtt180 -76.27 -27.28 56.62 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 114.925 -1.034 . . . . 4.0599999999999996 110.343 174.8 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . -90.54 51.37 3.31 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.789 -0.72 . . . . 2.0600000000000001 111.302 174.042 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 39.5 m 73.22 142.45 0.06 Allowed 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 123.553 0.741 . . . . 1.9299999999999999 111.129 -175.325 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 816' ' ' LYS . . . . . 0.561 ' HA ' ' HB3' ' A' ' 812' ' ' PHE . 13.7 mptt -76.61 59.65 1.55 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.294 0.568 . . . . 1.6599999999999999 109.822 178.424 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 817' ' ' ARG . . . . . . . . . . . . . 81.7 mtp180 -145.79 -32.22 0.37 Allowed 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.465 -0.789 . . . . 3.2000000000000002 109.11 -173.512 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 818' ' ' PHE . . . . . 0.586 ' HB3' ' HB3' ' A' ' 823' ' ' CYS . 62.6 m-85 -139.6 136.06 33.98 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 108.327 -0.99 . . . . 0.52000000000000002 108.327 177.778 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 819' ' ' CYS . . . . . 0.748 ' SG ' ' HB2' ' A' ' 800' ' ' CYS . 0.8 OUTLIER -73.23 102.1 3.55 Favored 'General case' 0 N--CA 1.445 -0.677 0 C-N-CA 119.742 -0.783 . . . . 1.3600000000000001 112.29 -170.113 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 5.3 t 87.1 -147.86 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 115.729 -0.668 . . . . 1.1799999999999999 110.214 162.538 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 821' ' ' MET . . . . . . . . . . . . . 14.3 tpt -85.19 -61.41 1.78 Allowed 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 111.973 0.361 . . . . 2.1000000000000001 111.973 -172.71 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 822' ' ' THR . . . . . . . . . . . . . 25.9 m -45.5 -44.6 12.64 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 123.547 0.739 . . . . 0.77000000000000002 112.694 177.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 823' ' ' CYS . . . . . 0.586 ' HB3' ' HB3' ' A' ' 818' ' ' PHE . 60.4 m -70.71 -41.67 71.63 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 112.58 0.585 . . . . 0.62 112.58 179.712 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 824' ' ' ALA . . . . . . . . . . . . . . . -61.54 -42.98 99.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.352 0.596 . . . . 0.32000000000000001 110.019 175.801 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 14.1 tmtt? -61.76 -37.26 83.63 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.23 -0.896 . . . . 2.6000000000000001 110.691 176.513 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 826' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' A' ' 826' ' ' ARG . 17.1 tpt180 -64.87 -33.79 76.85 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.866 -0.606 . . . . 3.5299999999999998 111.288 -173.424 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 827' ' ' TYR . . . . . . . . . . . . . 31.6 t80 . . . . . 0 C--N 1.327 -0.403 0 CA-C-O 121.161 0.505 . . . . 1.49 111.291 -178.193 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 796' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.234 0.25 0 CA-C-O 121.623 0.725 . . . . 1.6799999999999999 110.221 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 797' ' ' LEU . . . . . . . . . . . . . 6.7 mt -105.6 147.88 27.94 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.425 -0.807 . . . . 0.55000000000000004 110.087 -177.457 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 798' ' ' LEU . . . . . 0.466 ' C ' HD22 ' A' ' 798' ' ' LEU . 0.0 OUTLIER -147.61 176.36 10.14 Favored 'General case' 0 C--N 1.313 -1.009 0 N-CA-C 106.024 -1.843 . . . . 1.3100000000000001 106.024 173.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 799' ' ' LYS . . . . . 0.445 ' HA ' ' O ' ' A' ' 805' ' ' LYS . 0.0 OUTLIER -134.78 136.32 42.49 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 117.337 -1.745 . . . . 1.78 113.959 -171.42 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 800' ' ' CYS . . . . . 0.579 ' HB2' ' SG ' ' A' ' 819' ' ' CYS . 33.7 t -45.67 118.61 1.86 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 111.9 -2.409 . . . . 0.29999999999999999 112.753 179.297 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 801' ' ' GLU . . . . . 0.419 ' CD ' HH12 ' A' ' 817' ' ' ARG . 36.5 tt0 -61.11 -1.94 0.54 Allowed 'General case' 0 CA--C 1.542 0.673 0 N-CA-C 113.21 0.819 . . . . 2.4199999999999999 113.21 178.661 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 802' ' ' TYR . . . . . . . . . . . . . 19.9 t80 -103.09 -46.16 4.72 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 121.453 -0.779 . . . . 0.87 110.999 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 803' ' ' CYS . . . . . 0.442 ' SG ' ' HG3' ' A' ' 805' ' ' LYS . 8.0 p -115.27 -31.77 5.87 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 112.942 0.719 . . . . 0.28999999999999998 112.942 -178.784 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 96.19 27.07 10.4 Favored Glycine 0 N--CA 1.444 -0.778 0 C-N-CA 120.104 -1.046 . . . . 0.27000000000000002 112.817 177.217 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 805' ' ' LYS . . . . . 0.445 ' O ' ' HA ' ' A' ' 799' ' ' LYS . 68.8 mttm -75.91 123.73 26.18 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 110.142 -0.318 . . . . 2.3100000000000001 110.142 176.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 806' ' ' TYR . . . . . . . . . . . . . 70.8 m-85 -86.66 123.99 32.45 Favored 'General case' 0 CA--C 1.512 -0.51 0 N-CA-C 108.429 -0.952 . . . . 0.93000000000000005 108.429 176.745 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 807' ' ' ALA . . . . . 0.579 ' HB1' ' HD2' ' A' ' 808' ' ' PRO . . . -157.19 163.11 26.1 Favored Pre-proline 0 C--N 1.315 -0.892 0 CA-C-N 115.61 -0.723 . . . . 0.31 110.176 -173.049 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 808' ' ' PRO . . . . . 0.579 ' HD2' ' HB1' ' A' ' 807' ' ' ALA . 35.1 Cg_endo -65.75 132.05 29.42 Favored 'Trans proline' 0 N--CA 1.457 -0.672 0 C-N-CA 122.019 1.813 . . . . 0.56999999999999995 111.179 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 809' ' ' ALA . . . . . . . . . . . . . . . -43.91 -28.01 0.41 Allowed 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 114.917 -1.038 . . . . 0.28999999999999998 112.756 178.737 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -57.92 -36.43 72.46 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 115.538 -0.756 . . . . 2.8599999999999999 111.13 178.529 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -82.02 -27.46 33.06 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 116.033 -0.531 . . . . 1.28 109.953 -173.798 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 812' ' ' PHE . . . . . 0.5 ' O ' ' HD2' ' A' ' 816' ' ' LYS . 54.2 m-85 -68.93 57.23 0.09 Allowed 'General case' 0 C--O 1.232 0.147 0 CA-C-O 121.775 0.798 . . . . 0.54000000000000004 112.259 175.466 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 49.3 mtt180 -80.09 17.28 1.03 Allowed 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 114.87 -1.059 . . . . 4.0599999999999996 110.771 176.29 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . -91.55 36.41 3.65 Favored Glycine 0 N--CA 1.442 -0.918 0 N-CA-C 109.459 -1.456 . . . . 2.0600000000000001 109.459 163.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 20.8 m 59.37 42.37 18.15 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 123.41 0.684 . . . . 1.9299999999999999 111.943 -177.087 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 816' ' ' LYS . . . . . 0.5 ' HD2' ' O ' ' A' ' 812' ' ' PHE . 0.9 OUTLIER 53.25 56.17 7.79 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 115.478 -0.783 . . . . 1.6599999999999999 111.072 171.948 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 817' ' ' ARG . . . . . 0.419 HH12 ' CD ' ' A' ' 801' ' ' GLU . 15.3 mmm180 -143.53 -42.25 0.29 Allowed 'General case' 0 C--N 1.314 -0.968 0 N-CA-C 107.56 -1.274 . . . . 3.2000000000000002 107.56 -179.742 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 818' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -134.51 161.41 35.13 Favored 'General case' 0 N--CA 1.435 -1.223 0 CA-C-N 114.155 -1.384 . . . . 0.52000000000000002 108.361 175.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 819' ' ' CYS . . . . . 0.579 ' SG ' ' HB2' ' A' ' 800' ' ' CYS . 0.6 OUTLIER -67.88 -158.62 0.02 OUTLIER 'General case' 0 C--N 1.314 -0.961 0 N-CA-C 108.641 -0.874 . . . . 1.3600000000000001 108.641 171.9 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 19.6 p -67.84 -151.81 0.01 OUTLIER 'General case' 0 CA--C 1.553 1.086 0 CA-C-N 118.642 0.655 . . . . 1.1799999999999999 112.697 -161.793 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 821' ' ' MET . . . . . 0.446 ' HA ' ' CE ' ' A' ' 821' ' ' MET . 3.3 mmt -70.18 -48.84 55.45 Favored 'General case' 0 C--N 1.328 -0.329 0 O-C-N 121.085 -1.009 . . . . 2.1000000000000001 112.431 -159.665 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 822' ' ' THR . . . . . . . . . . . . . 8.8 m -45.61 -50.6 13.1 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 123.61 0.569 . . . . 0.77000000000000002 111.944 175.863 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 823' ' ' CYS . . . . . . . . . . . . . 85.3 m -71.81 -53.36 13.57 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 113.026 0.75 . . . . 0.62 113.026 -176.45 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 824' ' ' ALA . . . . . . . . . . . . . . . -56.61 -47.59 79.3 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-O 120.507 0.194 . . . . 0.32000000000000001 111.477 -179.164 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 13.6 ptmm? -64.19 -31.93 73.32 Favored 'General case' 0 CA--C 1.522 -0.124 0 CA-C-N 116.716 -0.22 . . . . 2.6000000000000001 111.12 -176.027 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 70.3 ttt180 -72.69 -23.12 60.83 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 121.277 0.56 . . . . 3.5299999999999998 110.343 -174.63 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 827' ' ' TYR . . . . . . . . . . . . . 70.3 t80 . . . . . 0 C--N 1.326 -0.443 0 CA-C-N 115.631 -0.713 . . . . 1.49 109.296 175.755 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 796' ' ' ASN . . . . . . . . . . . . . 5.0 p30 . . . . . 0 CA--C 1.517 -0.306 0 N-CA-C 107.538 -1.282 . . . . 1.6799999999999999 107.538 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 797' ' ' LEU . . . . . . . . . . . . . 11.5 mt -94.8 148.69 22.03 Favored 'General case' 0 N--CA 1.441 -0.878 0 CA-C-O 121.843 0.83 . . . . 0.55000000000000004 111.502 -165.241 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 798' ' ' LEU . . . . . 0.603 HD12 ' N ' ' A' ' 799' ' ' LYS . 3.1 pp -147.32 179.9 7.32 Favored 'General case' 0 C--N 1.31 -1.118 0 N-CA-C 104.444 -2.428 . . . . 1.3100000000000001 104.444 171.039 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 799' ' ' LYS . . . . . 0.603 ' N ' HD12 ' A' ' 798' ' ' LEU . 0.1 OUTLIER -144.17 141.12 29.75 Favored 'General case' 0 C--N 1.316 -0.881 0 C-N-CA 116.332 -2.147 . . . . 1.78 115.08 -173.366 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 800' ' ' CYS . . . . . 0.553 ' HB2' ' SG ' ' A' ' 819' ' ' CYS . 47.3 t -46.02 103.05 0.03 OUTLIER 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 110.907 -2.86 . . . . 0.29999999999999999 112.41 175.036 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 801' ' ' GLU . . . . . 0.407 ' OE1' ' HE3' ' A' ' 799' ' ' LYS . 5.2 mm-40 -69.72 21.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 113.439 0.903 . . . . 2.4199999999999999 113.439 -177.733 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 802' ' ' TYR . . . . . . . . . . . . . 85.8 t80 -108.14 -51.95 2.83 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.806 0.336 . . . . 0.87 110.157 169.75 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 6.4 p -107.42 -24.32 11.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.671 -0.24 . . . . 0.28999999999999998 111.332 -177.575 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 92.36 17.27 46.83 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.653 -0.784 . . . . 0.27000000000000002 113.371 169.468 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 805' ' ' LYS . . . . . 0.457 ' O ' ' HB2' ' A' ' 799' ' ' LYS . 88.0 mttt -84.98 133.07 34.27 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.66 -0.416 . . . . 2.3100000000000001 110.969 -178.705 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 806' ' ' TYR . . . . . . . . . . . . . 67.2 m-85 -88.82 136.11 33.18 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.621 -0.718 . . . . 0.93000000000000005 110.201 -178.711 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 807' ' ' ALA . . . . . 0.631 ' HB1' ' HD2' ' A' ' 808' ' ' PRO . . . -160.84 167.11 14.18 Favored Pre-proline 0 C--N 1.321 -0.636 0 CA-C-N 114.901 -1.045 . . . . 0.31 109.712 -174.327 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 808' ' ' PRO . . . . . 0.631 ' HD2' ' HB1' ' A' ' 807' ' ' ALA . 29.8 Cg_endo -64.25 129.82 25.26 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 121.969 1.779 . . . . 0.56999999999999995 111.427 178.496 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 809' ' ' ALA . . . . . . . . . . . . . . . -45.48 -27.07 0.66 Allowed 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 115.132 -0.94 . . . . 0.28999999999999998 112.575 179.341 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -63.6 -27.78 69.48 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 114.981 -1.009 . . . . 2.8599999999999999 111.826 -179.064 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -73.02 -29.11 62.77 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.028 0.442 . . . . 1.28 109.892 -177.51 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 812' ' ' PHE . . . . . 0.899 ' HB2' ' HD3' ' A' ' 816' ' ' LYS . 43.4 m-85 -73.24 66.3 0.89 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.573 -0.74 . . . . 0.54000000000000004 111.917 -177.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 24.1 mmt180 -77.81 -36.11 50.59 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.778 -0.647 . . . . 4.0599999999999996 110.796 175.74 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 814' ' ' GLY . . . . . 0.446 ' O ' ' HB3' ' A' ' 815' ' ' SER . . . -84.25 56.72 5.04 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.725 -0.75 . . . . 2.0600000000000001 111.247 177.128 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 815' ' ' SER . . . . . 0.446 ' HB3' ' O ' ' A' ' 814' ' ' GLY . 33.6 t 76.49 141.9 0.07 Allowed 'General case' 0 CA--C 1.531 0.213 0 CA-C-O 121.528 0.68 . . . . 1.9299999999999999 110.467 -174.223 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 816' ' ' LYS . . . . . 0.899 ' HD3' ' HB2' ' A' ' 812' ' ' PHE . 4.9 tppt? -75.01 15.98 0.35 Allowed 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 115.266 -0.879 . . . . 1.6599999999999999 111.602 -173.086 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 817' ' ' ARG . . . . . 0.519 ' O ' ' HA ' ' A' ' 800' ' ' CYS . 70.6 mtm180 -95.89 -30.09 13.84 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 123.178 0.591 . . . . 3.2000000000000002 111.125 -178.867 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 818' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -136.57 140.03 42.6 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 110.351 -0.24 . . . . 0.52000000000000002 110.351 -170.752 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 819' ' ' CYS . . . . . 0.553 ' SG ' ' HB2' ' A' ' 800' ' ' CYS . 0.8 OUTLIER -72.5 100.01 2.63 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 120.803 -0.359 . . . . 1.3600000000000001 110.569 -175.098 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 8.6 t 82.5 -165.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.924 -1.139 . . . . 1.1799999999999999 107.924 168.796 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 821' ' ' MET . . . . . 0.636 ' O ' ' HG2' ' A' ' 825' ' ' LYS . 2.5 mpt? -91.04 -40.76 11.45 Favored 'General case' 0 C--O 1.22 -0.489 0 CA-C-N 119.775 1.171 . . . . 2.1000000000000001 113.004 -177.711 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 822' ' ' THR . . . . . . . . . . . . . 25.7 m -47.09 -44.23 21.05 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 118.475 0.579 . . . . 0.77000000000000002 111.599 175.721 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 823' ' ' CYS . . . . . 0.453 ' HB2' ' O ' ' A' ' 819' ' ' CYS . 25.7 m -73.91 -40.1 63.39 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-O 120.854 0.359 . . . . 0.62 111.684 177.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 824' ' ' ALA . . . . . . . . . . . . . . . -58.46 -41.73 85.85 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.769 -0.651 . . . . 0.32000000000000001 111.526 178.599 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 825' ' ' LYS . . . . . 0.636 ' HG2' ' O ' ' A' ' 821' ' ' MET . 13.3 mmmm -63.2 -39.08 93.62 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-O 121.958 0.885 . . . . 2.6000000000000001 110.342 179.03 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 826' ' ' ARG . . . . . 0.756 ' HA ' ' HE ' ' A' ' 826' ' ' ARG . 0.3 OUTLIER -66.36 -21.47 66.24 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 114.018 -1.446 . . . . 3.5299999999999998 110.755 -172.012 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 827' ' ' TYR . . . . . . . . . . . . . 23.5 t80 . . . . . 0 C--N 1.327 -0.379 0 CA-C-N 115.613 -0.721 . . . . 1.49 111.122 176.833 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 796' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 . . . . . 0 N--CA 1.468 0.464 0 CA-C-O 121.29 0.567 . . . . 1.6799999999999999 111.506 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 797' ' ' LEU . . . . . . . . . . . . . 18.8 mt -87.36 150.88 23.54 Favored 'General case' 0 N--CA 1.441 -0.88 0 CA-C-O 121.607 0.717 . . . . 0.55000000000000004 110.532 -171.722 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 798' ' ' LEU . . . . . 0.441 ' C ' HD22 ' A' ' 798' ' ' LEU . 0.0 OUTLIER -149.94 177.0 10.25 Favored 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 105.259 -2.126 . . . . 1.3100000000000001 105.259 170.428 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 799' ' ' LYS . . . . . 0.592 ' HD3' ' CZ ' ' A' ' 806' ' ' TYR . 23.0 pttm -137.21 141.56 42.1 Favored 'General case' 0 C--N 1.317 -0.829 0 C-N-CA 117.161 -1.816 . . . . 1.78 113.29 -174.898 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 800' ' ' CYS . . . . . 0.521 ' HA ' ' HA ' ' A' ' 818' ' ' PHE . 36.1 t -45.95 110.54 0.27 Allowed 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 111.488 -2.596 . . . . 0.29999999999999999 111.562 174.244 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 801' ' ' GLU . . . . . 0.521 ' HB3' ' CE1' ' A' ' 818' ' ' PHE . 21.1 tt0 -61.11 0.14 0.27 Allowed 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.061 0.544 . . . . 2.4199999999999999 112.412 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 802' ' ' TYR . . . . . . . . . . . . . 66.2 t80 -98.66 -48.38 4.99 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 121.831 -0.543 . . . . 0.87 110.025 -178.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 803' ' ' CYS . . . . . 0.421 ' SG ' ' HG2' ' A' ' 805' ' ' LYS . 4.9 p -116.28 -27.02 6.97 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 113.276 0.843 . . . . 0.28999999999999998 113.276 -178.766 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 804' ' ' GLY . . . . . 0.435 ' HA2' ' HD2' ' A' ' 799' ' ' LYS . . . 96.35 19.78 27.0 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 119.835 -1.174 . . . . 0.27000000000000002 113.171 175.025 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 805' ' ' LYS . . . . . 0.421 ' HG2' ' SG ' ' A' ' 803' ' ' CYS . 2.2 mmmp? -78.09 127.18 31.92 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.795 0.298 . . . . 2.3100000000000001 110.286 179.09 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 806' ' ' TYR . . . . . 0.592 ' CZ ' ' HD3' ' A' ' 799' ' ' LYS . 96.8 m-85 -87.82 133.43 33.89 Favored 'General case' 0 CA--C 1.515 -0.388 0 N-CA-C 109.361 -0.607 . . . . 0.93000000000000005 109.361 178.747 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 807' ' ' ALA . . . . . 0.439 ' O ' ' HE1' ' A' ' 812' ' ' PHE . . . -157.51 157.39 30.0 Favored Pre-proline 0 C--N 1.318 -0.764 0 CA-C-N 115.59 -0.732 . . . . 0.31 110.047 -173.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 808' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -62.65 128.93 24.72 Favored 'Trans proline' 0 N--CA 1.459 -0.539 0 C-N-CA 122.448 2.099 . . . . 0.56999999999999995 109.737 176.088 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 809' ' ' ALA . . . . . . . . . . . . . . . -41.68 -24.69 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 114.52 1.304 . . . . 0.28999999999999998 114.52 -176.512 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -62.34 -28.42 69.74 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 111.926 0.343 . . . . 2.8599999999999999 111.926 178.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -85.45 -1.4 57.01 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.865 0.84 . . . . 1.28 109.37 -173.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 812' ' ' PHE . . . . . 0.439 ' HE1' ' O ' ' A' ' 807' ' ' ALA . 80.2 m-85 -96.53 67.61 2.44 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.137 -0.938 . . . . 0.54000000000000004 109.495 -177.087 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 10.5 mmm180 -74.45 138.11 43.05 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.242 -1.344 . . . . 4.0599999999999996 110.432 178.622 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 99.18 -41.39 2.21 Favored Glycine 0 N--CA 1.443 -0.849 0 N-CA-C 111.195 -0.762 . . . . 2.0600000000000001 111.195 -179.552 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 26.5 t -175.49 137.04 0.36 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.432 -0.581 . . . . 1.9299999999999999 109.432 178.69 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 816' ' ' LYS . . . . . 0.405 ' HA ' ' HB3' ' A' ' 812' ' ' PHE . 70.2 mmtt -76.08 55.04 0.9 Allowed 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 121.348 0.594 . . . . 1.6599999999999999 109.453 177.355 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 817' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -147.52 -30.34 0.32 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.964 -1.016 . . . . 3.2000000000000002 109.298 -172.792 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 818' ' ' PHE . . . . . 0.521 ' CE1' ' HB3' ' A' ' 801' ' ' GLU . 93.6 m-85 -134.13 149.0 51.05 Favored 'General case' 0 N--CA 1.436 -1.131 0 N-CA-C 107.63 -1.248 . . . . 0.52000000000000002 107.63 174.824 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 819' ' ' CYS . . . . . 0.451 ' SG ' ' HB2' ' A' ' 800' ' ' CYS . 1.4 p -68.7 -159.23 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 108.627 -0.879 . . . . 1.3600000000000001 108.627 173.62 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 15.5 p -62.64 -123.1 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 115.145 1.535 . . . . 1.1799999999999999 115.145 -157.714 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 821' ' ' MET . . . . . . . . . . . . . 4.0 mmt -84.25 -54.23 4.95 Favored 'General case' 0 C--N 1.321 -0.661 0 O-C-N 120.907 -1.12 . . . . 2.1000000000000001 111.604 -161.002 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 822' ' ' THR . . . . . . . . . . . . . 86.0 m -44.66 -55.98 4.78 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 123.878 0.736 . . . . 0.77000000000000002 111.78 177.299 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 823' ' ' CYS . . . . . . . . . . . . . 98.1 m -69.3 -53.98 16.97 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 113.632 0.975 . . . . 0.62 113.632 -172.441 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 824' ' ' ALA . . . . . . . . . . . . . . . -59.67 -43.61 93.92 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 120.96 -0.296 . . . . 0.32000000000000001 111.696 -177.718 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 54.9 pttt -71.35 -35.81 71.28 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.833 -0.347 . . . . 2.6000000000000001 111.494 -178.273 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 1.9 tpm_? -73.5 -21.18 60.48 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.026 0.441 . . . . 3.5299999999999998 110.435 -173.081 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 827' ' ' TYR . . . . . . . . . . . . . 33.9 t80 . . . . . 0 C--N 1.324 -0.539 0 CA-C-N 116.271 -0.422 . . . . 1.49 110.972 -178.787 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 796' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.233 0.23 0 N-CA-C 109.375 -0.602 . . . . 1.6799999999999999 109.375 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 797' ' ' LEU . . . . . . . . . . . . . 28.6 mt -93.08 144.66 25.05 Favored 'General case' 0 N--CA 1.44 -0.972 0 CA-C-O 121.18 0.514 . . . . 0.55000000000000004 110.716 -171.199 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 798' ' ' LEU . . . . . 0.488 HD12 ' N ' ' A' ' 799' ' ' LYS . 0.7 OUTLIER -143.0 176.47 9.06 Favored 'General case' 0 C--N 1.305 -1.362 0 N-CA-C 104.309 -2.478 . . . . 1.3100000000000001 104.309 171.341 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 799' ' ' LYS . . . . . 0.488 ' N ' HD12 ' A' ' 798' ' ' LEU . 18.6 pttp -141.54 151.67 43.43 Favored 'General case' 0 N--CA 1.438 -1.065 0 C-N-CA 116.432 -2.107 . . . . 1.78 113.891 -173.191 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 800' ' ' CYS . . . . . 0.555 ' HA ' ' HA ' ' A' ' 818' ' ' PHE . 52.6 t -51.64 100.83 0.03 OUTLIER 'General case' 0 N--CA 1.436 -1.158 0 CA-C-N 111.628 -2.533 . . . . 0.29999999999999999 110.365 172.471 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -65.43 23.79 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.392 0.516 . . . . 2.4199999999999999 112.392 178.359 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 802' ' ' TYR . . . . . 0.525 ' H ' ' C ' ' A' ' 800' ' ' CYS . 30.2 t80 -108.86 -85.11 0.54 Allowed 'General case' 0 N--CA 1.442 -0.83 0 N-CA-C 107.952 -1.129 . . . . 0.87 107.952 165.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 3.8 p -65.25 -39.28 92.47 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 113.098 0.777 . . . . 0.28999999999999998 113.098 177.498 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 804' ' ' GLY . . . . . 0.436 ' CA ' ' HD2' ' A' ' 799' ' ' LYS . . . 97.49 26.62 9.82 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.219 -0.991 . . . . 0.27000000000000002 113.189 179.05 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 805' ' ' LYS . . . . . . . . . . . . . 30.0 mtpp -84.83 128.78 34.77 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.925 0.362 . . . . 2.3100000000000001 110.198 178.377 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 806' ' ' TYR . . . . . 0.464 ' CZ ' ' HD3' ' A' ' 799' ' ' LYS . 83.3 m-85 -87.11 134.47 33.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.87 0.366 . . . . 0.93000000000000005 110.126 -178.006 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -157.53 159.61 30.66 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 115.568 -0.742 . . . . 0.31 109.754 -175.103 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 808' ' ' PRO . . . . . 0.515 ' HB2' ' HG2' ' A' ' 810' ' ' GLU . 37.3 Cg_exo -62.17 128.61 24.45 Favored 'Trans proline' 0 N--CA 1.462 -0.375 0 C-N-CA 122.12 1.88 . . . . 0.56999999999999995 111.629 178.453 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 809' ' ' ALA . . . . . . . . . . . . . . . -41.7 -27.1 0.09 Allowed 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 114.264 1.209 . . . . 0.28999999999999998 114.264 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 810' ' ' GLU . . . . . 0.515 ' HG2' ' HB2' ' A' ' 808' ' ' PRO . 1.3 pm0 -60.89 -24.93 66.35 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.297 0.481 . . . . 2.8599999999999999 112.297 179.219 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 811' ' ' GLN . . . . . 0.441 ' O ' ' HG2' ' A' ' 811' ' ' GLN . 40.3 tt0 -83.75 -5.17 59.13 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 121.464 0.649 . . . . 1.28 110.026 -177.633 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 812' ' ' PHE . . . . . 0.688 ' HB3' ' HA ' ' A' ' 816' ' ' LYS . 56.0 m-85 -96.59 48.08 1.07 Allowed 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.678 0.752 . . . . 0.54000000000000004 110.02 -171.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 65.3 mtp180 -81.65 -4.79 57.11 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.097 -0.956 . . . . 4.0599999999999996 110.792 179.388 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 814' ' ' GLY . . . . . 0.442 ' O ' ' HB2' ' A' ' 815' ' ' SER . . . -96.65 48.37 1.66 Allowed Glycine 0 N--CA 1.446 -0.649 0 N-CA-C 109.959 -1.256 . . . . 2.0600000000000001 109.959 168.765 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 815' ' ' SER . . . . . 0.442 ' HB2' ' O ' ' A' ' 814' ' ' GLY . 74.8 m 71.14 141.71 0.05 Allowed 'General case' 0 C--O 1.234 0.253 0 CA-C-O 121.525 0.679 . . . . 1.9299999999999999 110.485 -169.379 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 816' ' ' LYS . . . . . 0.688 ' HA ' ' HB3' ' A' ' 812' ' ' PHE . 33.0 mmtp -75.39 58.95 1.02 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.639 -0.71 . . . . 1.6599999999999999 110.086 -177.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 817' ' ' ARG . . . . . . . . . . . . . 29.3 mtm180 -140.86 -36.41 0.46 Allowed 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.08 -0.711 . . . . 3.2000000000000002 109.08 -173.761 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 818' ' ' PHE . . . . . 0.555 ' HA ' ' HA ' ' A' ' 800' ' ' CYS . 77.5 m-85 -133.81 159.1 41.63 Favored 'General case' 0 N--CA 1.44 -0.929 0 N-CA-C 108.829 -0.804 . . . . 0.52000000000000002 108.829 -179.706 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 819' ' ' CYS . . . . . 0.537 ' SG ' ' HB2' ' A' ' 800' ' ' CYS . 0.5 OUTLIER -68.28 -161.17 0.03 OUTLIER 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 108.864 -0.791 . . . . 1.3600000000000001 108.864 171.797 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 22.8 t -67.8 -116.67 0.0 OUTLIER 'General case' 0 CA--C 1.547 0.865 0 N-CA-C 113.19 0.811 . . . . 1.1799999999999999 113.19 -158.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 821' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -85.27 -61.54 1.74 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 120.54 -1.35 . . . . 2.1000000000000001 112.054 -166.818 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 822' ' ' THR . . . . . . . . . . . . . 10.0 m -45.93 -49.05 16.16 Favored 'General case' 0 C--N 1.32 -0.684 0 O-C-N 123.721 0.638 . . . . 0.77000000000000002 112.489 -179.037 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 823' ' ' CYS . . . . . . . . . . . . . 84.5 m -74.5 -44.75 49.91 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 114.23 1.196 . . . . 0.62 114.23 -175.878 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 824' ' ' ALA . . . . . 0.455 ' O ' ' HB3' ' A' ' 827' ' ' TYR . . . -60.57 -36.34 78.24 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 118.788 0.722 . . . . 0.32000000000000001 109.874 173.779 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 63.6 tttt -62.73 -39.27 93.56 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 115.748 -0.66 . . . . 2.6000000000000001 111.234 172.241 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 73.5 ttt180 -68.79 -24.22 64.38 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.232 -0.895 . . . . 3.5299999999999998 111.105 -175.875 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 827' ' ' TYR . . . . . 0.455 ' HB3' ' O ' ' A' ' 824' ' ' ALA . 14.3 t80 . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 115.37 -0.832 . . . . 1.49 111.292 175.085 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 796' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.233 0.193 0 CA-C-O 121.576 0.703 . . . . 1.6799999999999999 110.071 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 797' ' ' LEU . . . . . . . . . . . . . 18.0 mt -93.16 148.28 22.15 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.505 -0.771 . . . . 0.55000000000000004 109.967 -177.367 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 798' ' ' LEU . . . . . 0.464 ' C ' HD22 ' A' ' 798' ' ' LEU . 0.0 OUTLIER -146.94 142.22 27.33 Favored 'General case' 0 C--N 1.311 -1.078 0 N-CA-C 107.138 -1.43 . . . . 1.3100000000000001 107.138 173.558 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 799' ' ' LYS . . . . . 0.441 ' HD3' ' CZ ' ' A' ' 806' ' ' TYR . 22.1 pttm -100.26 135.61 41.43 Favored 'General case' 0 C--N 1.319 -0.741 0 C-N-CA 118.329 -1.348 . . . . 1.78 113.372 -165.875 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 800' ' ' CYS . . . . . . . . . . . . . 1.8 t -47.38 112.03 0.49 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 112.816 -1.993 . . . . 0.29999999999999999 112.051 174.487 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -68.02 21.45 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 114.121 1.156 . . . . 2.4199999999999999 114.121 -177.351 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 802' ' ' TYR . . . . . 0.4 ' HB2' ' CE1' ' A' ' 818' ' ' PHE . 59.5 t80 -110.56 -41.2 4.39 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 121.633 -0.667 . . . . 0.87 109.795 169.729 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 7.5 p -114.22 -33.22 5.73 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.41 0.522 . . . . 0.28999999999999998 112.41 -177.325 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 804' ' ' GLY . . . . . 0.414 ' C ' ' HB2' ' A' ' 799' ' ' LYS . . . 96.65 20.0 25.69 Favored Glycine 0 N--CA 1.444 -0.77 0 C-N-CA 120.383 -0.913 . . . . 0.27000000000000002 111.528 178.552 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 805' ' ' LYS . . . . . . . . . . . . . 9.8 ttmm -84.77 132.28 34.45 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.535 -0.543 . . . . 2.3100000000000001 109.535 -176.6 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 806' ' ' TYR . . . . . 0.441 ' CZ ' ' HD3' ' A' ' 799' ' ' LYS . 38.4 m-85 -85.4 131.19 34.43 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.475 0.655 . . . . 0.93000000000000005 110.319 -177.699 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -152.01 153.2 31.08 Favored Pre-proline 0 C--N 1.317 -0.821 0 CA-C-N 114.624 -1.171 . . . . 0.31 109.637 -177.277 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 808' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_exo -64.53 129.48 23.88 Favored 'Trans proline' 0 N--CA 1.455 -0.782 0 C-N-CA 122.222 1.948 . . . . 0.56999999999999995 110.839 178.151 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 809' ' ' ALA . . . . . 0.411 ' HB1' ' CE ' ' A' ' 816' ' ' LYS . . . -41.08 -26.22 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 114.108 1.151 . . . . 0.28999999999999998 114.108 179.678 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -61.9 -25.34 67.51 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.819 0.674 . . . . 2.8599999999999999 112.819 179.295 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 39.6 tt0 -83.05 -4.18 58.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.488 0.661 . . . . 1.28 109.98 -177.122 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 812' ' ' PHE . . . . . 0.598 ' HB3' ' HA ' ' A' ' 816' ' ' LYS . 18.9 m-85 -96.03 49.35 1.14 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.582 0.706 . . . . 0.54000000000000004 109.919 -171.466 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 6.2 mmp_? -80.0 139.47 36.97 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.061 -0.972 . . . . 4.0599999999999996 108.819 175.251 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 96.5 -53.51 1.51 Allowed Glycine 0 N--CA 1.446 -0.653 0 N-CA-C 111.178 -0.769 . . . . 2.0600000000000001 111.178 -174.362 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 815' ' ' SER . . . . . 0.426 ' C ' ' H ' ' A' ' 817' ' ' ARG . 77.4 p -158.02 131.9 7.93 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.735 0.302 . . . . 1.9299999999999999 110.72 177.769 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 816' ' ' LYS . . . . . 0.598 ' HA ' ' HB3' ' A' ' 812' ' ' PHE . 7.4 tptm -77.45 13.68 1.17 Allowed 'General case' 0 CA--C 1.534 0.332 0 CA-C-O 121.238 0.542 . . . . 1.6599999999999999 110.289 177.419 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 817' ' ' ARG . . . . . 0.426 ' H ' ' C ' ' A' ' 815' ' ' SER . 17.8 mtp180 -95.34 -37.12 11.11 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 123.81 0.844 . . . . 3.2000000000000002 110.527 -175.347 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 818' ' ' PHE . . . . . 0.4 ' CE1' ' HB2' ' A' ' 802' ' ' TYR . 56.0 m-85 -129.7 165.1 22.54 Favored 'General case' 0 N--CA 1.436 -1.167 0 N-CA-C 109.407 -0.59 . . . . 0.52000000000000002 109.407 -176.494 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 819' ' ' CYS . . . . . 0.412 ' HG ' ' H ' ' A' ' 819' ' ' CYS . 1.2 p -68.24 -157.95 0.02 OUTLIER 'General case' 0 C--N 1.31 -1.128 0 N-CA-C 108.413 -0.958 . . . . 1.3600000000000001 108.413 168.131 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 16.2 p -68.65 -125.86 0.0 OUTLIER 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 113.283 0.846 . . . . 1.1799999999999999 113.283 -160.306 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 821' ' ' MET . . . . . 0.66 ' O ' ' HG2' ' A' ' 825' ' ' LYS . 0.3 OUTLIER -82.09 -58.86 2.78 Favored 'General case' 0 C--N 1.32 -0.692 0 O-C-N 120.566 -1.334 . . . . 2.1000000000000001 111.584 -167.164 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 822' ' ' THR . . . . . . . . . . . . . 32.3 m -45.46 -49.08 13.77 Favored 'General case' 0 C--N 1.322 -0.607 0 O-C-N 123.767 0.667 . . . . 0.77000000000000002 112.236 -177.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 823' ' ' CYS . . . . . . . . . . . . . 5.4 t -73.19 -45.96 53.33 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.453 -0.499 . . . . 0.62 112.18 -173.799 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 824' ' ' ALA . . . . . . . . . . . . . . . -57.64 -38.0 74.29 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 120.727 -0.389 . . . . 0.32000000000000001 110.135 175.311 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 825' ' ' LYS . . . . . 0.66 ' HG2' ' O ' ' A' ' 821' ' ' MET . 13.6 mmmm -64.78 -36.48 84.46 Favored 'General case' 0 C--N 1.341 0.214 0 CA-C-O 121.509 0.671 . . . . 2.6000000000000001 110.993 175.005 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 17.8 tpt180 -68.65 -24.52 64.55 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 114.805 -1.089 . . . . 3.5299999999999998 111.519 -174.431 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 827' ' ' TYR . . . . . . . . . . . . . 71.8 t80 . . . . . 0 C--N 1.33 -0.259 0 CA-C-O 121.217 0.532 . . . . 1.49 110.526 175.962 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 796' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.457 -0.118 0 CA-C-O 121.998 0.904 . . . . 1.6799999999999999 111.654 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 797' ' ' LEU . . . . . . . . . . . . . 18.0 mt -102.93 141.11 36.28 Favored 'General case' 0 N--CA 1.438 -1.073 0 O-C-N 121.574 -0.704 . . . . 0.55000000000000004 109.289 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 798' ' ' LEU . . . . . 0.456 ' C ' HD22 ' A' ' 798' ' ' LEU . 0.0 OUTLIER -144.72 143.22 30.59 Favored 'General case' 0 C--N 1.312 -1.05 0 N-CA-C 107.044 -1.465 . . . . 1.3100000000000001 107.044 174.677 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 799' ' ' LYS . . . . . 0.408 ' HD3' ' CZ ' ' A' ' 806' ' ' TYR . 23.2 pttm -96.07 135.37 37.95 Favored 'General case' 0 N--CA 1.446 -0.642 0 C-N-CA 118.137 -1.425 . . . . 1.78 113.408 -166.904 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 800' ' ' CYS . . . . . 0.521 ' HB2' ' SG ' ' A' ' 819' ' ' CYS . 46.6 t -43.44 106.21 0.06 Allowed 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 111.965 -2.38 . . . . 0.29999999999999999 111.308 170.65 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -66.46 13.31 0.05 Allowed 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 112.727 0.64 . . . . 2.4199999999999999 112.727 -176.81 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 802' ' ' TYR . . . . . 0.57 ' HD1' ' HD1' ' A' ' 827' ' ' TYR . 68.7 t80 -103.76 -46.89 4.38 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.669 -0.493 . . . . 0.87 109.669 175.554 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 6.7 p -115.92 -24.0 8.33 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 113.07 0.767 . . . . 0.28999999999999998 113.07 -179.073 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 94.52 15.89 45.06 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.093 -1.051 . . . . 0.27000000000000002 113.048 173.575 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 805' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -87.11 135.12 33.41 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 122.602 -0.352 . . . . 2.3100000000000001 110.295 -179.272 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 806' ' ' TYR . . . . . 0.408 ' CZ ' ' HD3' ' A' ' 799' ' ' LYS . 84.8 m-85 -85.48 134.33 34.05 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.072 0.463 . . . . 0.93000000000000005 110.655 -178.33 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 807' ' ' ALA . . . . . 0.425 ' HB1' ' HD2' ' A' ' 808' ' ' PRO . . . -154.93 158.01 32.05 Favored Pre-proline 0 C--N 1.321 -0.665 0 CA-C-N 114.992 -1.004 . . . . 0.31 109.819 -178.24 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 808' ' ' PRO . . . . . 0.425 ' HD2' ' HB1' ' A' ' 807' ' ' ALA . 44.0 Cg_endo -68.28 130.29 20.94 Favored 'Trans proline' 0 N--CA 1.461 -0.413 0 C-N-CA 122.391 2.061 . . . . 0.56999999999999995 111.323 -178.893 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 809' ' ' ALA . . . . . . . . . . . . . . . -44.46 -28.88 0.62 Allowed 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 115.059 -0.973 . . . . 0.28999999999999998 113.566 -179.601 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 -57.25 -33.34 67.48 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 116.043 -0.526 . . . . 2.8599999999999999 111.329 178.74 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -77.89 -26.8 49.36 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.946 -0.57 . . . . 1.28 110.215 -177.123 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 812' ' ' PHE . . . . . 0.606 ' HB3' ' HA ' ' A' ' 816' ' ' LYS . 24.0 m-85 -69.0 62.5 0.11 Allowed 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.913 0.708 . . . . 0.54000000000000004 112.913 178.4 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 6.3 mmp_? -78.4 140.1 38.73 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.399 -0.819 . . . . 4.0599999999999996 109.443 172.163 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 95.24 -58.23 1.69 Allowed Glycine 0 N--CA 1.446 -0.69 0 N-CA-C 110.881 -0.888 . . . . 2.0600000000000001 110.881 -175.132 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 815' ' ' SER . . . . . 0.629 ' HB3' ' HE ' ' A' ' 817' ' ' ARG . 65.8 m -154.07 133.8 12.96 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.589 0.233 . . . . 1.9299999999999999 110.891 176.78 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 816' ' ' LYS . . . . . 0.606 ' HA ' ' HB3' ' A' ' 812' ' ' PHE . 0.0 OUTLIER -76.0 54.44 0.84 Allowed 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.346 -0.612 . . . . 1.6599999999999999 109.346 172.781 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 817' ' ' ARG . . . . . 0.629 ' HE ' ' HB3' ' A' ' 815' ' ' SER . 70.8 mtm180 -142.94 -32.43 0.48 Allowed 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.276 -0.875 . . . . 3.2000000000000002 109.564 -172.868 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 818' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -133.95 135.73 43.72 Favored 'General case' 0 CA--C 1.516 -0.351 0 N-CA-C 109.283 -0.636 . . . . 0.52000000000000002 109.283 -177.143 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 819' ' ' CYS . . . . . 0.521 ' SG ' ' HB2' ' A' ' 800' ' ' CYS . 1.8 p -74.7 102.57 4.67 Favored 'General case' 0 N--CA 1.438 -1.058 0 C-N-CA 119.738 -0.785 . . . . 1.3600000000000001 110.656 -174.611 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 52.7 p 84.92 -154.63 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.464 1.105 . . . . 1.1799999999999999 110.164 161.294 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 821' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -81.15 -56.3 4.18 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 111.916 0.339 . . . . 2.1000000000000001 111.916 -171.497 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 822' ' ' THR . . . . . . . . . . . . . 28.2 m -44.84 -53.98 6.9 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 112.989 0.737 . . . . 0.77000000000000002 112.989 178.789 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 823' ' ' CYS . . . . . . . . . . . . . 92.0 m -68.03 -46.89 69.91 Favored 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 113.071 0.767 . . . . 0.62 113.071 -174.729 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 824' ' ' ALA . . . . . . . . . . . . . . . -60.4 -42.56 96.21 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.445 0.641 . . . . 0.32000000000000001 110.231 178.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -62.7 -45.72 91.44 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 114.961 -1.018 . . . . 2.6000000000000001 111.289 177.775 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 43.9 ttp180 -77.03 -14.36 59.84 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 116.267 -0.424 . . . . 3.5299999999999998 111.899 -168.257 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 827' ' ' TYR . . . . . 0.57 ' HD1' ' HD1' ' A' ' 802' ' ' TYR . 36.1 t80 . . . . . 0 C--N 1.33 -0.242 0 CA-C-O 121.021 0.438 . . . . 1.49 110.945 -178.316 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 796' ' ' ASN . . . . . . . . . . . . . 9.2 p30 . . . . . 0 N--CA 1.454 -0.272 0 CA-C-O 121.25 0.548 . . . . 1.6799999999999999 110.24 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 797' ' ' LEU . . . . . . . . . . . . . 36.9 mt -95.46 144.91 25.57 Favored 'General case' 0 N--CA 1.437 -1.098 0 CA-C-O 121.175 0.512 . . . . 0.55000000000000004 109.899 -176.615 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 798' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -146.52 177.86 8.73 Favored 'General case' 0 C--N 1.308 -1.226 0 N-CA-C 105.108 -2.182 . . . . 1.3100000000000001 105.108 175.035 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 799' ' ' LYS . . . . . 0.507 ' HD2' ' O ' ' A' ' 804' ' ' GLY . 63.2 pttt -144.41 139.97 28.72 Favored 'General case' 0 N--CA 1.439 -1.012 0 C-N-CA 116.499 -2.081 . . . . 1.78 114.213 -174.231 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 800' ' ' CYS . . . . . 0.591 ' HB2' ' SG ' ' A' ' 819' ' ' CYS . 6.4 t -36.57 111.99 0.17 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 111.176 -2.738 . . . . 0.29999999999999999 113.4 174.52 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -56.36 -6.45 0.28 Allowed 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 115.204 -0.907 . . . . 2.4199999999999999 112.803 172.694 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 802' ' ' TYR . . . . . . . . . . . . . 60.0 t80 -102.43 -48.59 4.12 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 121.383 -0.823 . . . . 0.87 111.266 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 803' ' ' CYS . . . . . 0.501 ' SG ' ' SG ' ' A' ' 800' ' ' CYS . 4.6 p -113.43 -26.98 8.08 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 112.988 0.736 . . . . 0.28999999999999998 112.988 -176.133 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 804' ' ' GLY . . . . . 0.507 ' O ' ' HD2' ' A' ' 799' ' ' LYS . . . 92.46 18.71 40.82 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 119.65 -1.262 . . . . 0.27000000000000002 112.612 172.847 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 805' ' ' LYS . . . . . . . . . . . . . 20.6 ttmt -81.15 134.89 35.71 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 120.662 0.267 . . . . 2.3100000000000001 110.32 178.539 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 806' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -86.0 137.69 32.52 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.434 -0.803 . . . . 0.93000000000000005 109.987 -179.578 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 807' ' ' ALA . . . . . 0.431 ' HB1' ' HD2' ' A' ' 808' ' ' PRO . . . -158.42 158.1 29.37 Favored Pre-proline 0 N--CA 1.441 -0.91 0 CA-C-N 115.067 -0.969 . . . . 0.31 110.49 -177.322 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 808' ' ' PRO . . . . . 0.641 ' HB2' ' CD ' ' A' ' 810' ' ' GLU . 35.7 Cg_endo -65.0 128.07 19.9 Favored 'Trans proline' 0 N--CA 1.462 -0.374 0 C-N-CA 122.737 2.291 . . . . 0.56999999999999995 110.477 176.585 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 809' ' ' ALA . . . . . . . . . . . . . . . -43.7 -31.78 0.86 Allowed 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 114.327 1.232 . . . . 0.28999999999999998 114.327 -177.176 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 810' ' ' GLU . . . . . 0.641 ' CD ' ' HB2' ' A' ' 808' ' ' PRO . 7.5 pm0 -62.26 -24.61 67.37 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 120.966 0.412 . . . . 2.8599999999999999 111.622 -179.783 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -79.06 -30.01 43.79 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-O 121.085 0.469 . . . . 1.28 110.085 -179.052 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 812' ' ' PHE . . . . . 0.761 ' HB3' ' HA ' ' A' ' 816' ' ' LYS . 61.3 m-85 -70.06 67.65 0.29 Allowed 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.63 -0.714 . . . . 0.54000000000000004 112.503 179.109 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 30.1 mtm180 -75.36 -0.35 19.54 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.347 -0.842 . . . . 4.0599999999999996 110.169 175.449 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . -94.73 46.82 2.09 Favored Glycine 0 N--CA 1.446 -0.64 0 N-CA-C 111.342 -0.703 . . . . 2.0600000000000001 111.342 172.578 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 8.5 m 58.89 32.27 22.08 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 123.038 0.535 . . . . 1.9299999999999999 112.267 177.303 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 816' ' ' LYS . . . . . 0.761 ' HA ' ' HB3' ' A' ' 812' ' ' PHE . 95.6 mttt 54.46 49.14 18.99 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 121.613 0.72 . . . . 1.6599999999999999 111.725 170.157 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 817' ' ' ARG . . . . . . . . . . . . . 34.2 mmt180 -140.02 -34.67 0.54 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.827 -1.079 . . . . 3.2000000000000002 108.346 178.069 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 818' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -133.05 136.33 45.89 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.399 -0.819 . . . . 0.52000000000000002 108.911 175.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 819' ' ' CYS . . . . . 0.591 ' SG ' ' HB2' ' A' ' 800' ' ' CYS . 1.6 p -75.14 104.28 5.65 Favored 'General case' 0 N--CA 1.441 -0.88 0 C-N-CA 120.606 -0.438 . . . . 1.3600000000000001 111.453 -173.292 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 22.9 t 87.41 -154.9 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 122.906 0.482 . . . . 1.1799999999999999 110.129 162.093 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 821' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -84.54 -62.54 1.53 Allowed 'General case' 0 N--CA 1.466 0.368 0 O-C-N 122.203 -0.311 . . . . 2.1000000000000001 111.749 -174.433 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 822' ' ' THR . . . . . 0.568 ' O ' ' HB2' ' A' ' 826' ' ' ARG . 1.4 m -44.89 -44.14 9.41 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 123.988 0.915 . . . . 0.77000000000000002 112.913 178.823 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 823' ' ' CYS . . . . . 0.512 ' HB2' ' O ' ' A' ' 819' ' ' CYS . 97.3 m -74.67 -42.96 57.51 Favored 'General case' 0 C--N 1.313 -1.016 0 N-CA-C 112.806 0.669 . . . . 0.62 112.806 -178.821 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 824' ' ' ALA . . . . . . . . . . . . . . . -61.03 -44.54 97.25 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 121.119 -0.232 . . . . 0.32000000000000001 111.144 178.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 825' ' ' LYS . . . . . 0.503 ' HG3' ' O ' ' A' ' 822' ' ' THR . 0.0 OUTLIER -66.2 -31.4 72.21 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 121.813 0.816 . . . . 2.6000000000000001 110.063 179.611 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 826' ' ' ARG . . . . . 0.568 ' HB2' ' O ' ' A' ' 822' ' ' THR . 62.8 ttt180 -68.75 -22.68 64.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 114.388 -1.278 . . . . 3.5299999999999998 111.377 -174.384 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 827' ' ' TYR . . . . . . . . . . . . . 13.1 t80 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 115.502 -0.772 . . . . 1.49 112.203 179.646 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 796' ' ' ASN . . . . . . . . . . . . . 6.4 p30 . . . . . 0 C--O 1.234 0.242 0 CA-C-O 121.213 0.53 . . . . 1.6799999999999999 109.699 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 797' ' ' LEU . . . . . . . . . . . . . 16.0 mt -90.03 149.13 22.66 Favored 'General case' 0 N--CA 1.444 -0.767 0 CA-C-O 121.448 0.642 . . . . 0.55000000000000004 111.024 -168.654 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 798' ' ' LEU . . . . . 0.426 ' C ' HD22 ' A' ' 798' ' ' LEU . 0.0 OUTLIER -148.53 165.52 30.97 Favored 'General case' 0 C--N 1.31 -1.14 0 N-CA-C 105.398 -2.075 . . . . 1.3100000000000001 105.398 171.293 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 799' ' ' LYS . . . . . 0.666 ' HD3' ' CZ ' ' A' ' 806' ' ' TYR . 63.2 pttt -123.23 139.04 54.46 Favored 'General case' 0 C--N 1.32 -0.674 0 C-N-CA 117.188 -1.805 . . . . 1.78 113.619 -167.686 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 800' ' ' CYS . . . . . 0.522 ' HG ' ' HG ' ' A' ' 803' ' ' CYS . 17.4 t -47.14 103.82 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 112.01 -2.359 . . . . 0.29999999999999999 111.203 172.716 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -67.4 19.92 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 113.404 0.89 . . . . 2.4199999999999999 113.404 -176.611 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 802' ' ' TYR . . . . . 0.411 ' H ' ' C ' ' A' ' 800' ' ' CYS . 42.4 t80 -106.95 -41.0 5.31 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.738 -0.467 . . . . 0.87 109.738 172.886 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 803' ' ' CYS . . . . . 0.522 ' HG ' ' HG ' ' A' ' 800' ' ' CYS . 5.4 p -116.37 -33.96 4.77 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 115.907 -0.588 . . . . 0.28999999999999998 112.361 179.717 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 99.96 22.09 12.71 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.407 -0.901 . . . . 0.27000000000000002 113.176 176.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 805' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp -82.98 129.44 35.03 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 117.349 0.574 . . . . 2.3100000000000001 110.863 -179.18 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 806' ' ' TYR . . . . . 0.666 ' CZ ' ' HD3' ' A' ' 799' ' ' LYS . 98.4 m-85 -87.04 126.63 34.87 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.451 -0.574 . . . . 0.93000000000000005 109.451 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 807' ' ' ALA . . . . . 0.505 ' HB1' ' HD2' ' A' ' 808' ' ' PRO . . . -153.32 161.27 29.55 Favored Pre-proline 0 C--N 1.318 -0.792 0 CA-C-N 115.39 -0.823 . . . . 0.31 109.613 -174.708 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 808' ' ' PRO . . . . . 0.682 ' HB2' ' HG2' ' A' ' 810' ' ' GLU . 35.8 Cg_endo -67.91 129.23 19.23 Favored 'Trans proline' 0 N--CA 1.458 -0.559 0 C-N-CA 121.976 1.784 . . . . 0.56999999999999995 111.131 -178.072 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 809' ' ' ALA . . . . . . . . . . . . . . . -44.07 -26.5 0.3 Allowed 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 113.783 1.031 . . . . 0.28999999999999998 113.783 -178.541 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 810' ' ' GLU . . . . . 0.682 ' HG2' ' HB2' ' A' ' 808' ' ' PRO . 11.0 pt-20 -60.38 -26.74 66.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.953 0.406 . . . . 2.8599999999999999 111.654 179.739 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -82.14 -28.73 32.0 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.157 -0.474 . . . . 1.28 109.883 -176.088 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 812' ' ' PHE . . . . . 0.705 ' HB3' ' HA ' ' A' ' 816' ' ' LYS . 12.2 m-85 -68.89 63.43 0.12 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.249 -0.887 . . . . 0.54000000000000004 111.87 176.715 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 75.4 mtt180 -78.0 137.94 38.56 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 114.387 -1.278 . . . . 4.0599999999999996 110.696 177.829 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 96.92 -66.7 0.92 Allowed Glycine 0 N--CA 1.442 -0.944 0 N-CA-C 110.436 -1.066 . . . . 2.0600000000000001 110.436 -170.874 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 70.5 m -150.18 135.28 17.86 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 110.681 -0.118 . . . . 1.9299999999999999 110.681 177.367 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 816' ' ' LYS . . . . . 0.705 ' HA ' ' HB3' ' A' ' 812' ' ' PHE . 1.0 OUTLIER -75.62 67.66 2.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.564 0.697 . . . . 1.6599999999999999 109.911 174.799 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 817' ' ' ARG . . . . . . . . . . . . . 82.9 mtp180 -145.07 -34.8 0.34 Allowed 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.061 -0.972 . . . . 3.2000000000000002 108.91 -175.756 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 818' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -135.65 155.41 50.47 Favored 'General case' 0 N--CA 1.442 -0.845 0 N-CA-C 108.431 -0.952 . . . . 0.52000000000000002 108.431 178.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 819' ' ' CYS . . . . . 0.475 ' SG ' ' SG ' ' A' ' 800' ' ' CYS . 0.8 OUTLIER -68.57 -159.48 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.033 -0.729 . . . . 1.3600000000000001 109.033 172.929 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 33.2 p -64.66 -116.94 0.0 OUTLIER 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 114.258 1.207 . . . . 1.1799999999999999 114.258 -157.145 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 821' ' ' MET . . . . . . . . . . . . . 1.6 mmt -85.76 -62.0 1.63 Allowed 'General case' 0 C--N 1.321 -0.632 0 O-C-N 120.931 -1.106 . . . . 2.1000000000000001 111.635 -165.552 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 822' ' ' THR . . . . . 0.489 ' O ' ' HB2' ' A' ' 826' ' ' ARG . 3.7 m -45.77 -50.48 13.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 123.764 0.665 . . . . 0.77000000000000002 112.568 -179.232 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 823' ' ' CYS . . . . . . . . . . . . . 57.3 m -71.11 -49.81 40.31 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 113.767 1.025 . . . . 0.62 113.767 -176.072 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 824' ' ' ALA . . . . . . . . . . . . . . . -60.26 -44.51 95.22 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 120.4 -0.52 . . . . 0.32000000000000001 110.768 178.4 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 825' ' ' LYS . . . . . 0.436 ' HE3' ' HB2' ' A' ' 825' ' ' LYS . 0.0 OUTLIER -67.52 -26.14 66.19 Favored 'General case' 0 C--O 1.227 -0.095 0 C-N-CA 120.851 -0.339 . . . . 2.6000000000000001 110.873 178.739 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 826' ' ' ARG . . . . . 0.489 ' HB2' ' O ' ' A' ' 822' ' ' THR . 24.8 tpp180 -66.64 -31.71 72.57 Favored 'General case' 0 CA--C 1.521 -0.166 0 CA-C-O 121.235 0.54 . . . . 3.5299999999999998 110.514 -176.859 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 827' ' ' TYR . . . . . . . . . . . . . 29.8 t80 . . . . . 0 C--N 1.325 -0.476 0 CA-C-N 115.578 -0.737 . . . . 1.49 109.855 179.829 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 796' ' ' ASN . . . . . 0.531 HD22 ' N ' ' A' ' 796' ' ' ASN . 0.0 OUTLIER . . . . . 0 CA--C 1.514 -0.413 0 N-CA-C 108.135 -1.061 . . . . 1.6799999999999999 108.135 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 797' ' ' LEU . . . . . . . . . . . . . 11.1 mt -104.76 144.57 31.56 Favored 'General case' 0 N--CA 1.435 -1.213 0 CA-C-O 121.699 0.761 . . . . 0.55000000000000004 111.076 -169.284 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 798' ' ' LEU . . . . . 0.463 ' H ' HD23 ' A' ' 798' ' ' LEU . 1.7 pt? -145.29 -177.02 5.34 Favored 'General case' 0 C--N 1.304 -1.371 0 N-CA-C 104.786 -2.301 . . . . 1.3100000000000001 104.786 174.052 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 799' ' ' LYS . . . . . 0.979 ' HD3' ' HA2' ' A' ' 804' ' ' GLY . 0.0 OUTLIER -145.86 141.55 27.97 Favored 'General case' 0 N--CA 1.437 -1.097 0 C-N-CA 116.175 -2.21 . . . . 1.78 115.435 -175.556 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 800' ' ' CYS . . . . . 0.524 ' SG ' ' SG ' ' A' ' 819' ' ' CYS . 28.0 t -45.39 104.69 0.05 OUTLIER 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 110.608 -2.996 . . . . 0.29999999999999999 111.67 175.002 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 42.6 mm-40 -64.29 12.38 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 114.035 1.124 . . . . 2.4199999999999999 114.035 -178.329 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 802' ' ' TYR . . . . . 0.433 ' HB2' ' CE1' ' A' ' 818' ' ' PHE . 35.5 t80 -104.58 -41.89 5.58 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 109.822 -0.436 . . . . 0.87 109.822 175.436 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 803' ' ' CYS . . . . . 0.411 ' SG ' ' SG ' ' A' ' 800' ' ' CYS . 5.3 p -118.52 -24.84 6.65 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 113.258 0.836 . . . . 0.28999999999999998 113.258 -179.796 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 804' ' ' GLY . . . . . 0.979 ' HA2' ' HD3' ' A' ' 799' ' ' LYS . . . 93.44 17.85 40.87 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 119.862 -1.161 . . . . 0.27000000000000002 112.917 175.315 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 805' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -82.38 126.75 32.54 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.747 0.308 . . . . 2.3100000000000001 110.669 -178.362 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 806' ' ' TYR . . . . . 0.423 ' HA ' ' HB3' ' A' ' 799' ' ' LYS . 64.5 m-85 -89.21 132.13 35.01 Favored 'General case' 0 CA--C 1.513 -0.469 0 CA-C-N 115.616 -0.72 . . . . 0.93000000000000005 110.151 -174.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 807' ' ' ALA . . . . . 0.666 ' HB1' ' HD2' ' A' ' 808' ' ' PRO . . . -160.63 168.3 12.06 Favored Pre-proline 0 C--N 1.317 -0.843 0 CA-C-N 114.917 -1.038 . . . . 0.31 110.118 -174.179 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 808' ' ' PRO . . . . . 0.666 ' HD2' ' HB1' ' A' ' 807' ' ' ALA . 32.4 Cg_endo -70.05 132.04 22.06 Favored 'Trans proline' 0 N--CA 1.455 -0.778 0 C-N-CA 121.654 1.57 . . . . 0.56999999999999995 111.211 -179.114 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 809' ' ' ALA . . . . . 0.417 ' O ' ' HB2' ' A' ' 812' ' ' PHE . . . -41.84 -27.84 0.13 Allowed 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 114.785 -1.098 . . . . 0.28999999999999998 113.886 178.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 26.6 tp10 -60.67 -37.56 81.98 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 112.849 0.685 . . . . 2.8599999999999999 112.849 -178.258 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 811' ' ' GLN . . . . . 0.48 ' C ' ' H ' ' A' ' 813' ' ' ARG . 2.3 pt20 -76.81 -21.39 55.16 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 109.486 -0.561 . . . . 1.28 109.486 -175.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 812' ' ' PHE . . . . . 0.6 ' HB3' ' HA ' ' A' ' 816' ' ' LYS . 7.7 m-85 -70.72 32.57 0.04 OUTLIER 'General case' 0 C--O 1.222 -0.35 0 CA-C-N 115.54 -0.755 . . . . 0.54000000000000004 112.246 173.853 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 813' ' ' ARG . . . . . 0.48 ' H ' ' C ' ' A' ' 811' ' ' GLN . 7.5 ptm180 -78.21 158.18 29.08 Favored 'General case' 0 C--N 1.309 -1.155 0 N-CA-C 109.013 -0.736 . . . . 4.0599999999999996 109.013 178.908 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 88.45 -30.62 5.19 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.555 -0.831 . . . . 2.0600000000000001 112.722 -173.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 9.7 t -145.03 -44.65 0.23 Allowed 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 113.062 0.764 . . . . 1.9299999999999999 113.062 -175.205 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 816' ' ' LYS . . . . . 0.6 ' HA ' ' HB3' ' A' ' 812' ' ' PHE . 24.1 ttmm 53.06 55.33 9.05 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 123.143 1.449 . . . . 1.6599999999999999 108.937 -169.756 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 817' ' ' ARG . . . . . . . . . . . . . 71.8 mtp180 -155.13 -37.19 0.09 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 112.139 -2.3 . . . . 3.2000000000000002 108.128 -177.295 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 818' ' ' PHE . . . . . 0.433 ' CE1' ' HB2' ' A' ' 802' ' ' TYR . 79.7 m-85 -133.12 170.19 15.77 Favored 'General case' 0 N--CA 1.441 -0.909 0 CA-C-N 115.004 -0.998 . . . . 0.52000000000000002 108.803 176.529 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 819' ' ' CYS . . . . . 0.524 ' SG ' ' SG ' ' A' ' 800' ' ' CYS . 0.9 OUTLIER -68.87 -158.2 0.02 OUTLIER 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 108.124 -1.065 . . . . 1.3600000000000001 108.124 166.069 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 73.9 p -69.79 -134.71 0.0 OUTLIER 'General case' 0 CA--C 1.55 0.953 0 N-CA-C 113.363 0.875 . . . . 1.1799999999999999 113.363 -161.361 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 821' ' ' MET . . . . . . . . . . . . . 32.4 mmt -75.96 -58.26 3.39 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 121.218 -0.926 . . . . 2.1000000000000001 112.432 -161.884 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 822' ' ' THR . . . . . . . . . . . . . 25.8 m -45.61 -49.77 13.88 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.639 0.607 . . . . 0.77000000000000002 112.639 -179.659 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 823' ' ' CYS . . . . . . . . . . . . . 87.5 m -71.24 -52.26 20.02 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 113.167 0.803 . . . . 0.62 113.167 -177.254 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 824' ' ' ALA . . . . . . . . . . . . . . . -57.66 -49.07 77.69 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-O 120.525 0.202 . . . . 0.32000000000000001 111.261 -179.744 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -64.07 -31.46 72.66 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-O 121.014 0.435 . . . . 2.6000000000000001 111.021 -177.664 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 47.6 ttt180 -71.8 -24.83 61.79 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.244 -0.434 . . . . 3.5299999999999998 111.069 -173.696 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 827' ' ' TYR . . . . . . . . . . . . . 82.2 t80 . . . . . 0 CA--C 1.535 0.387 0 CA-C-O 121.198 0.523 . . . . 1.49 111.379 -179.074 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 796' ' ' ASN . . . . . . . . . . . . . 7.4 p30 . . . . . 0 C--O 1.235 0.329 0 CA-C-O 121.609 0.718 . . . . 1.6799999999999999 109.81 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 797' ' ' LEU . . . . . . . . . . . . . 20.3 mt -97.21 146.9 24.65 Favored 'General case' 0 N--CA 1.443 -0.825 0 CA-C-N 115.49 -0.777 . . . . 0.55000000000000004 110.869 -175.545 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 798' ' ' LEU . . . . . 0.448 ' C ' HD22 ' A' ' 798' ' ' LEU . 0.0 OUTLIER -146.28 179.7 7.33 Favored 'General case' 0 C--N 1.31 -1.142 0 N-CA-C 105.444 -2.058 . . . . 1.3100000000000001 105.444 171.856 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 799' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.03 142.82 32.91 Favored 'General case' 0 C--N 1.316 -0.885 0 C-N-CA 117.406 -1.718 . . . . 1.78 113.291 -175.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 800' ' ' CYS . . . . . 0.511 ' HB2' ' SG ' ' A' ' 819' ' ' CYS . 42.6 t -46.85 114.46 0.84 Allowed 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 111.702 -2.499 . . . . 0.29999999999999999 112.237 177.53 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -61.82 3.76 0.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 113.196 0.813 . . . . 2.4199999999999999 113.196 178.844 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 802' ' ' TYR . . . . . . . . . . . . . 24.4 t80 -103.92 -49.09 3.72 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 121.981 -0.449 . . . . 0.87 110.331 178.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 5.5 p -113.74 -29.12 7.21 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.757 0.651 . . . . 0.28999999999999998 112.757 -178.097 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 94.74 22.25 24.11 Favored Glycine 0 C--N 1.321 -0.283 0 C-N-CA 120.178 -1.01 . . . . 0.27000000000000002 112.79 175.197 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 805' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -77.6 125.35 29.2 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 110.172 -0.307 . . . . 2.3100000000000001 110.172 178.299 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 806' ' ' TYR . . . . . . . . . . . . . 70.7 m-85 -87.47 130.79 34.56 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.183 -0.673 . . . . 0.93000000000000005 109.183 -177.73 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 807' ' ' ALA . . . . . 0.497 ' HB3' ' CE1' ' A' ' 812' ' ' PHE . . . -158.36 161.2 29.02 Favored Pre-proline 0 C--N 1.317 -0.833 0 CA-C-N 115.624 -0.717 . . . . 0.31 110.185 -173.557 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 808' ' ' PRO . . . . . 0.468 ' HD2' ' HB1' ' A' ' 807' ' ' ALA . 19.2 Cg_endo -61.24 133.94 49.44 Favored 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 122.341 2.028 . . . . 0.56999999999999995 110.964 176.577 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 809' ' ' ALA . . . . . 0.408 ' HA ' HD11 ' A' ' 798' ' ' LEU . . . -44.03 -38.03 3.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.143 -0.935 . . . . 0.28999999999999998 111.791 177.661 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -63.19 -27.85 69.65 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 114.722 -1.126 . . . . 2.8599999999999999 111.492 -178.223 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 811' ' ' GLN . . . . . 0.419 ' HB2' ' HG2' ' A' ' 808' ' ' PRO . 1.2 tm0? -79.25 -28.63 42.41 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.775 -0.648 . . . . 1.28 109.789 -177.003 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 812' ' ' PHE . . . . . 0.571 ' HB3' ' HA ' ' A' ' 816' ' ' LYS . 75.4 m-85 -71.81 71.45 0.76 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.839 -0.619 . . . . 0.54000000000000004 111.596 176.882 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 29.8 mtp180 -70.91 -5.05 27.8 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.649 -0.705 . . . . 4.0599999999999996 109.816 174.355 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . -88.99 48.73 3.5 Favored Glycine 0 N--CA 1.447 -0.626 0 N-CA-C 111.374 -0.69 . . . . 2.0600000000000001 111.374 172.813 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 815' ' ' SER . . . . . 0.421 ' CB ' HH21 ' A' ' 817' ' ' ARG . 9.0 t 56.24 42.13 28.39 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-O 121.352 0.596 . . . . 1.9299999999999999 111.529 177.892 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 816' ' ' LYS . . . . . 0.571 ' HA ' ' HB3' ' A' ' 812' ' ' PHE . 31.7 mmtp 55.58 35.51 25.33 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 114.806 -1.088 . . . . 1.6599999999999999 111.874 164.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 817' ' ' ARG . . . . . 0.423 ' O ' ' HA ' ' A' ' 800' ' ' CYS . 63.9 mtm180 -144.01 -28.77 0.51 Allowed 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.791 -0.64 . . . . 3.2000000000000002 110.01 -175.278 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 818' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -136.72 136.06 38.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.229 0.538 . . . . 0.52000000000000002 110.009 177.044 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 819' ' ' CYS . . . . . 0.547 ' O ' ' HB2' ' A' ' 823' ' ' CYS . 1.2 p -76.43 106.79 8.27 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.226 -0.897 . . . . 1.3600000000000001 111.465 -172.558 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 820' ' ' SER . . . . . 0.443 ' HB3' ' O ' ' A' ' 819' ' ' CYS . 30.8 t 89.83 -163.89 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 109.647 -0.501 . . . . 1.1799999999999999 109.647 164.08 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 821' ' ' MET . . . . . 0.667 ' O ' ' HG2' ' A' ' 825' ' ' LYS . 31.5 mmt -83.07 -59.05 2.6 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.649 0.261 . . . . 2.1000000000000001 110.456 -176.438 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 822' ' ' THR . . . . . . . . . . . . . 14.1 m -43.78 -47.17 7.97 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 123.812 0.845 . . . . 0.77000000000000002 112.938 178.17 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 823' ' ' CYS . . . . . 0.547 ' HB2' ' O ' ' A' ' 819' ' ' CYS . 91.0 m -71.11 -47.78 56.09 Favored 'General case' 0 C--N 1.314 -0.955 0 N-CA-C 111.984 0.364 . . . . 0.62 111.984 -176.494 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 824' ' ' ALA . . . . . . . . . . . . . . . -61.42 -41.74 97.65 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-O 120.891 0.377 . . . . 0.32000000000000001 110.346 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 825' ' ' LYS . . . . . 0.667 ' HG2' ' O ' ' A' ' 821' ' ' MET . 14.1 mmmm -66.94 -30.26 70.34 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-N 116.127 -0.488 . . . . 2.6000000000000001 111.851 179.561 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 66.9 ttt180 -72.43 -24.62 61.25 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.456 0.646 . . . . 3.5299999999999998 110.019 -176.531 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 827' ' ' TYR . . . . . . . . . . . . . 69.6 t80 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 115.288 -0.869 . . . . 1.49 109.34 174.803 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 796' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.233 0.205 0 CA-C-O 121.451 0.643 . . . . 1.6799999999999999 109.512 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 797' ' ' LEU . . . . . . . . . . . . . 43.7 mt -100.8 151.67 21.42 Favored 'General case' 0 N--CA 1.439 -1.003 0 CA-C-O 121.687 0.756 . . . . 0.55000000000000004 110.625 -173.308 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 798' ' ' LEU . . . . . 0.408 ' H ' HD23 ' A' ' 798' ' ' LEU . 1.6 pt? -149.95 -178.5 6.51 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 104.685 -2.339 . . . . 1.3100000000000001 104.685 173.218 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 799' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.06 142.57 27.57 Favored 'General case' 0 C--N 1.314 -0.969 0 C-N-CA 116.655 -2.018 . . . . 1.78 114.334 -174.503 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 800' ' ' CYS . . . . . 0.573 ' HA ' ' HA ' ' A' ' 818' ' ' PHE . 5.5 t -40.6 107.43 0.07 Allowed 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 111.54 -2.573 . . . . 0.29999999999999999 112.732 176.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -61.33 0.53 0.27 Allowed 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 123.319 0.648 . . . . 2.4199999999999999 112.344 176.077 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 802' ' ' TYR . . . . . . . . . . . . . 62.9 t80 -103.0 -48.41 4.06 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 122.063 -0.398 . . . . 0.87 110.605 178.578 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 7.7 p -115.47 -29.88 6.39 Favored 'General case' 0 N--CA 1.466 0.325 0 N-CA-C 112.68 0.622 . . . . 0.28999999999999998 112.68 -178.478 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 804' ' ' GLY . . . . . 0.475 ' H ' ' HB3' ' A' ' 800' ' ' CYS . . . 97.99 21.54 17.95 Favored Glycine 0 C--N 1.322 -0.232 0 C-N-CA 120.658 -0.782 . . . . 0.27000000000000002 113.759 172.196 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 805' ' ' LYS . . . . . 0.431 ' HA ' ' HD2' ' A' ' 805' ' ' LYS . 11.3 mmmm -81.76 131.35 35.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 117.439 0.619 . . . . 2.3100000000000001 110.265 179.81 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 806' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -84.5 131.18 34.67 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.015 -0.539 . . . . 0.93000000000000005 109.683 -177.726 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 807' ' ' ALA . . . . . 0.443 ' HB1' ' NE2' ' A' ' 811' ' ' GLN . . . -162.36 165.31 15.78 Favored Pre-proline 0 N--CA 1.445 -0.707 0 CA-C-N 115.38 -0.827 . . . . 0.31 110.204 -171.842 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 808' ' ' PRO . . . . . 0.51 ' HD2' ' OE1' ' A' ' 811' ' ' GLN . 14.7 Cg_exo -71.3 135.34 26.64 Favored 'Trans proline' 0 CA--C 1.517 -0.348 0 C-N-CA 122.683 2.255 . . . . 0.56999999999999995 111.549 -177.206 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 809' ' ' ALA . . . . . . . . . . . . . . . -45.02 -23.8 0.18 Allowed 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 115.447 -0.797 . . . . 0.28999999999999998 113.073 176.303 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -57.05 -53.43 58.22 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 114.026 1.121 . . . . 2.8599999999999999 114.026 -177.516 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 811' ' ' GLN . . . . . 0.51 ' OE1' ' HD2' ' A' ' 808' ' ' PRO . 4.1 pm0 -87.17 23.88 1.71 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 118.682 0.673 . . . . 1.28 110.7 -177.535 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 812' ' ' PHE . . . . . 0.44 ' HB3' ' HD3' ' A' ' 816' ' ' LYS . 8.4 m-85 -96.13 53.98 1.41 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.962 0.887 . . . . 0.54000000000000004 108.704 172.033 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 813' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' A' ' 813' ' ' ARG . 50.2 mtm180 -73.59 147.05 44.23 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.044 -1.435 . . . . 4.0599999999999996 111.476 179.417 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 83.14 -68.8 3.49 Favored Glycine 0 N--CA 1.448 -0.525 0 CA-C-N 115.8 -0.636 . . . . 2.0600000000000001 111.598 179.514 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 20.6 m -125.15 115.31 20.25 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 109.864 -0.421 . . . . 1.9299999999999999 109.864 178.572 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 816' ' ' LYS . . . . . 0.44 ' HD3' ' HB3' ' A' ' 812' ' ' PHE . 3.1 tppp? -75.78 56.11 0.92 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 122.064 0.935 . . . . 1.6599999999999999 108.84 176.639 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 817' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -142.28 -33.56 0.48 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 114.351 -1.295 . . . . 3.2000000000000002 109.683 -171.447 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 818' ' ' PHE . . . . . 0.573 ' HA ' ' HA ' ' A' ' 800' ' ' CYS . 21.1 m-85 -134.06 146.14 50.04 Favored 'General case' 0 CA--C 1.515 -0.38 0 N-CA-C 109.208 -0.664 . . . . 0.52000000000000002 109.208 -172.076 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 819' ' ' CYS . . . . . 0.559 ' SG ' ' HB2' ' A' ' 800' ' ' CYS . 1.6 p -74.77 101.43 4.33 Favored 'General case' 0 N--CA 1.441 -0.88 0 C-N-CA 119.572 -0.851 . . . . 1.3600000000000001 110.93 -177.801 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 20.9 t 88.11 -155.26 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.35 0.66 . . . . 1.1799999999999999 110.393 161.568 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 821' ' ' MET . . . . . 0.625 ' O ' ' HG2' ' A' ' 825' ' ' LYS . 3.1 mmt -84.21 -59.69 2.32 Favored 'General case' 0 C--O 1.223 -0.306 0 N-CA-C 112.56 0.578 . . . . 2.1000000000000001 112.56 -172.296 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 822' ' ' THR . . . . . 0.412 ' O ' ' HB2' ' A' ' 826' ' ' ARG . 13.5 m -44.88 -41.96 7.58 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 123.252 0.621 . . . . 0.77000000000000002 112.394 178.437 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 823' ' ' CYS . . . . . 0.439 ' HB3' ' HB3' ' A' ' 818' ' ' PHE . 97.1 m -72.63 -41.61 65.33 Favored 'General case' 0 C--N 1.315 -0.908 0 N-CA-C 112.216 0.45 . . . . 0.62 112.216 -179.306 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 824' ' ' ALA . . . . . . . . . . . . . . . -59.03 -44.7 91.78 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.136 0.493 . . . . 0.32000000000000001 109.74 174.004 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 825' ' ' LYS . . . . . 0.625 ' HG2' ' O ' ' A' ' 821' ' ' MET . 31.7 mmmt -62.24 -44.62 96.15 Favored 'General case' 0 N--CA 1.456 -0.126 0 CA-C-O 121.811 0.815 . . . . 2.6000000000000001 111.273 178.703 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 826' ' ' ARG . . . . . 0.412 ' HB2' ' O ' ' A' ' 822' ' ' THR . 22.8 tpt180 -66.45 -21.99 66.2 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-N 114.33 -1.305 . . . . 3.5299999999999998 110.92 -171.829 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 827' ' ' TYR . . . . . . . . . . . . . 21.5 t80 . . . . . 0 N--CA 1.452 -0.329 0 CA-C-N 115.456 -0.793 . . . . 1.49 111.178 178.778 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 796' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.45 -0.463 0 CA-C-O 121.296 0.569 . . . . 1.6799999999999999 109.661 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 797' ' ' LEU . . . . . . . . . . . . . 21.9 mt -97.54 144.95 26.72 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 115.73 -0.668 . . . . 0.55000000000000004 110.466 -176.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 798' ' ' LEU . . . . . 0.475 ' C ' HD22 ' A' ' 798' ' ' LEU . 0.0 OUTLIER -145.64 149.3 34.23 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 106.985 -1.487 . . . . 1.3100000000000001 106.985 173.358 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 799' ' ' LYS . . . . . 0.561 ' H ' ' HD3' ' A' ' 799' ' ' LYS . 0.0 OUTLIER -109.46 135.52 50.36 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 117.489 -1.684 . . . . 1.78 113.878 -167.216 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 800' ' ' CYS . . . . . 0.683 ' HB2' ' SG ' ' A' ' 819' ' ' CYS . 43.9 t -39.07 109.45 0.11 Allowed 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 112.006 -2.361 . . . . 0.29999999999999999 112.227 171.808 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -62.62 6.0 0.1 Allowed 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 113.609 0.966 . . . . 2.4199999999999999 113.609 178.752 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 802' ' ' TYR . . . . . . . . . . . . . 26.7 t80 -105.84 -42.08 5.24 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.291 -0.563 . . . . 0.87 110.451 177.123 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 803' ' ' CYS . . . . . 0.509 ' HG ' ' HG ' ' A' ' 800' ' ' CYS . 9.5 p -116.59 -31.4 5.54 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 112.933 0.716 . . . . 0.28999999999999998 112.933 -179.582 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 97.22 22.17 17.98 Favored Glycine 0 C--N 1.32 -0.336 0 C-N-CA 120.103 -1.046 . . . . 0.27000000000000002 113.126 177.581 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 805' ' ' LYS . . . . . . . . . . . . . 32.7 mmtp -81.83 128.88 34.47 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.914 0.357 . . . . 2.3100000000000001 110.27 178.778 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 806' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -88.24 128.37 35.47 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.534 -0.543 . . . . 0.93000000000000005 109.534 179.241 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -155.39 157.78 31.76 Favored Pre-proline 0 C--N 1.316 -0.849 0 CA-C-N 115.074 -0.967 . . . . 0.31 109.666 -176.161 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 808' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_exo -62.15 127.49 21.32 Favored 'Trans proline' 0 N--CA 1.456 -0.729 0 C-N-CA 122.175 1.917 . . . . 0.56999999999999995 111.265 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 809' ' ' ALA . . . . . . . . . . . . . . . -43.1 -28.43 0.28 Allowed 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 114.035 1.124 . . . . 0.28999999999999998 114.035 -178.773 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -59.84 -29.66 68.42 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 120.925 0.393 . . . . 2.8599999999999999 111.864 -179.001 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -76.3 -26.14 55.55 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.222 0.534 . . . . 1.28 110.001 -175.263 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 812' ' ' PHE . . . . . 0.564 ' HB3' ' HA ' ' A' ' 816' ' ' LYS . 14.0 m-85 -70.44 69.06 0.38 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.496 -0.774 . . . . 0.54000000000000004 111.613 176.615 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 39.7 mmt180 -70.83 -40.26 72.51 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.412 -0.813 . . . . 4.0599999999999996 109.89 175.41 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . -83.27 62.04 4.68 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.862 -0.685 . . . . 2.0600000000000001 111.496 175.04 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 25.7 m 70.42 143.86 0.05 Allowed 'General case' 0 C--O 1.236 0.344 0 CA-C-O 121.415 0.626 . . . . 1.9299999999999999 111.138 -177.341 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 816' ' ' LYS . . . . . 0.564 ' HA ' ' HB3' ' A' ' 812' ' ' PHE . 35.1 mmtp -75.28 56.33 0.82 Allowed 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.703 -0.681 . . . . 1.6599999999999999 109.961 -179.545 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 817' ' ' ARG . . . . . 0.407 ' O ' ' HA ' ' A' ' 800' ' ' CYS . 51.8 mtm-85 -143.76 -29.94 0.5 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.705 -0.679 . . . . 3.2000000000000002 110.071 -175.119 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 818' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -137.63 112.42 8.92 Favored 'General case' 0 C--N 1.334 -0.093 0 CA-C-O 120.918 0.39 . . . . 0.52000000000000002 110.592 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 819' ' ' CYS . . . . . 0.683 ' SG ' ' HB2' ' A' ' 800' ' ' CYS . 1.8 p -50.2 107.75 0.18 Allowed 'General case' 0 C--O 1.221 -0.405 0 N-CA-C 114.267 1.21 . . . . 1.3600000000000001 114.267 178.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 24.8 p 89.07 -161.07 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.273 1.029 . . . . 1.1799999999999999 110.505 160.348 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 821' ' ' MET . . . . . 0.418 ' HA ' ' CE ' ' A' ' 821' ' ' MET . 14.7 mmt -85.55 -54.63 4.44 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 122.098 -0.376 . . . . 2.1000000000000001 110.822 -179.317 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 822' ' ' THR . . . . . 0.452 ' O ' ' HB2' ' A' ' 826' ' ' ARG . 51.8 m -45.5 -49.13 13.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.322 -0.854 . . . . 0.77000000000000002 112.835 177.707 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 823' ' ' CYS . . . . . 0.634 ' HB2' ' O ' ' A' ' 819' ' ' CYS . 93.1 m -73.28 -42.74 62.09 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 112.24 0.459 . . . . 0.62 112.24 -176.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 824' ' ' ALA . . . . . . . . . . . . . . . -61.93 -42.76 99.47 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.666 -0.414 . . . . 0.32000000000000001 110.845 179.694 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -69.41 -28.85 66.51 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-O 121.466 0.651 . . . . 2.6000000000000001 110.485 178.223 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 826' ' ' ARG . . . . . 0.452 ' HB2' ' O ' ' A' ' 822' ' ' THR . 8.6 tpt180 -68.12 -24.3 65.0 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 114.726 -1.124 . . . . 3.5299999999999998 111.405 -175.864 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 827' ' ' TYR . . . . . . . . . . . . . 38.7 t80 . . . . . 0 C--N 1.333 -0.14 0 CA-C-O 121.473 0.654 . . . . 1.49 110.911 -179.639 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 796' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.235 0.304 0 CA-C-O 121.526 0.679 . . . . 1.6799999999999999 110.091 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 797' ' ' LEU . . . . . . . . . . . . . 21.4 mt -92.75 149.65 21.16 Favored 'General case' 0 N--CA 1.44 -0.954 0 CA-C-N 115.74 -0.663 . . . . 0.55000000000000004 111.069 -176.363 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 798' ' ' LEU . . . . . 0.481 ' C ' HD22 ' A' ' 798' ' ' LEU . 0.0 OUTLIER -145.98 157.91 43.87 Favored 'General case' 0 C--N 1.311 -1.094 0 N-CA-C 105.453 -2.054 . . . . 1.3100000000000001 105.453 166.365 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 799' ' ' LYS . . . . . 0.663 ' HD3' ' CZ ' ' A' ' 806' ' ' TYR . 62.4 pttt -116.29 139.65 50.16 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 116.896 -1.922 . . . . 1.78 114.318 -164.817 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 800' ' ' CYS . . . . . 0.665 ' HB2' ' SG ' ' A' ' 819' ' ' CYS . 19.1 t -46.83 103.87 0.04 OUTLIER 'General case' 0 N--CA 1.444 -0.758 0 CA-C-N 111.688 -2.506 . . . . 0.29999999999999999 111.656 171.75 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -65.58 18.12 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 113.61 0.967 . . . . 2.4199999999999999 113.61 -176.683 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 802' ' ' TYR . . . . . 0.472 ' CE2' ' HG3' ' A' ' 826' ' ' ARG . 46.8 t80 -107.78 -45.63 3.97 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.957 0.408 . . . . 0.87 109.952 172.643 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 803' ' ' CYS . . . . . 0.403 ' SG ' ' SG ' ' A' ' 800' ' ' CYS . 10.9 p -113.63 -24.02 9.44 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.173 -0.467 . . . . 0.28999999999999998 111.89 -177.054 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 89.12 19.36 50.8 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.365 -0.922 . . . . 0.27000000000000002 112.475 173.54 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 805' ' ' LYS . . . . . 0.407 ' HA ' ' HD3' ' A' ' 805' ' ' LYS . 33.1 mmtm -86.3 133.44 33.81 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.827 -0.434 . . . . 2.3100000000000001 109.827 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 806' ' ' TYR . . . . . 0.663 ' CZ ' ' HD3' ' A' ' 799' ' ' LYS . 98.1 m-85 -84.88 129.22 34.84 Favored 'General case' 0 CA--C 1.513 -0.48 0 CA-C-O 121.254 0.55 . . . . 0.93000000000000005 109.634 -177.216 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 807' ' ' ALA . . . . . 0.4 ' HA ' ' HD3' ' A' ' 808' ' ' PRO . . . -147.83 155.34 44.5 Favored Pre-proline 0 C--N 1.315 -0.9 0 CA-C-N 114.957 -1.019 . . . . 0.31 109.547 -174.894 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 808' ' ' PRO . . . . . 0.458 ' O ' ' HG3' ' A' ' 811' ' ' GLN . 11.7 Cg_exo -68.93 132.72 25.31 Favored 'Trans proline' 0 N--CA 1.458 -0.616 0 C-N-CA 122.292 1.994 . . . . 0.56999999999999995 111.461 -176.076 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 809' ' ' ALA . . . . . . . . . . . . . . . -42.34 -28.97 0.23 Allowed 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 115.023 -0.989 . . . . 0.28999999999999998 113.357 179.31 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 810' ' ' GLU . . . . . 0.417 ' O ' ' HG3' ' A' ' 813' ' ' ARG . 0.2 OUTLIER -52.33 -47.75 65.86 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 112.523 0.564 . . . . 2.8599999999999999 112.523 178.821 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 811' ' ' GLN . . . . . 0.507 HE22 ' HA ' ' A' ' 819' ' ' CYS . 0.5 OUTLIER -86.52 15.75 5.23 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 112.063 0.394 . . . . 1.28 112.063 -175.515 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 812' ' ' PHE . . . . . 0.709 ' HB3' ' HD3' ' A' ' 816' ' ' LYS . 36.0 m-85 -100.12 33.33 2.66 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.298 0.57 . . . . 0.54000000000000004 110.704 178.119 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 813' ' ' ARG . . . . . 0.417 ' HG3' ' O ' ' A' ' 810' ' ' GLU . 45.5 mtt180 -82.8 152.51 25.64 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.816 -0.629 . . . . 4.0599999999999996 110.257 179.394 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 94.56 -54.39 2.02 Favored Glycine 0 N--CA 1.443 -0.838 0 N-CA-C 110.808 -0.917 . . . . 2.0600000000000001 110.808 -169.199 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 65.1 m -158.52 121.3 3.74 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 122.532 0.333 . . . . 1.9299999999999999 110.207 176.478 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 816' ' ' LYS . . . . . 0.709 ' HD3' ' HB3' ' A' ' 812' ' ' PHE . 33.1 mmtp -76.55 63.33 2.05 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 121.132 0.491 . . . . 1.6599999999999999 110.023 178.334 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 817' ' ' ARG . . . . . . . . . . . . . 15.8 mtt180 -151.26 -32.16 0.16 Allowed 'General case' 0 C--N 1.318 -0.779 0 C-N-CA 123.651 0.78 . . . . 3.2000000000000002 110.107 -173.199 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 818' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -134.5 163.1 30.46 Favored 'General case' 0 N--CA 1.442 -0.864 0 N-CA-C 109.479 -0.563 . . . . 0.52000000000000002 109.479 -178.283 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 819' ' ' CYS . . . . . 0.665 ' SG ' ' HB2' ' A' ' 800' ' ' CYS . 0.0 OUTLIER -66.22 -161.04 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.767 -0.827 . . . . 1.3600000000000001 108.767 168.58 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 21.3 m -69.38 -119.42 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 112.906 0.706 . . . . 1.1799999999999999 112.906 -162.271 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 821' ' ' MET . . . . . 0.451 ' O ' ' HB3' ' A' ' 825' ' ' LYS . 42.7 mmm -81.49 -54.71 5.21 Favored 'General case' 0 CA--C 1.506 -0.731 0 O-C-N 120.97 -1.081 . . . . 2.1000000000000001 111.37 -170.599 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 822' ' ' THR . . . . . . . . . . . . . 1.6 m -45.95 -54.49 8.2 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 123.775 0.672 . . . . 0.77000000000000002 112.088 -178.344 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 823' ' ' CYS . . . . . . . . . . . . . 58.0 m -72.64 -44.98 61.19 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 113.064 0.764 . . . . 0.62 113.064 -174.224 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 824' ' ' ALA . . . . . . . . . . . . . . . -60.89 -41.23 95.62 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.575 -0.45 . . . . 0.32000000000000001 110.553 176.484 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 825' ' ' LYS . . . . . 0.451 ' HB3' ' O ' ' A' ' 821' ' ' MET . 57.4 tttt -62.53 -38.56 90.46 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-O 121.635 0.731 . . . . 2.6000000000000001 111.308 174.234 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 826' ' ' ARG . . . . . 0.472 ' HG3' ' CE2' ' A' ' 802' ' ' TYR . 17.4 tpp180 -68.41 -27.95 66.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 114.663 -1.153 . . . . 3.5299999999999998 111.266 -175.228 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 827' ' ' TYR . . . . . . . . . . . . . 37.5 t80 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.057 -0.52 . . . . 1.49 111.481 -179.522 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 796' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.234 0.257 0 CA-C-O 121.783 0.801 . . . . 1.6799999999999999 109.591 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 797' ' ' LEU . . . . . . . . . . . . . 22.4 mt -94.89 152.58 18.25 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-O 121.816 0.817 . . . . 0.55000000000000004 111.724 -171.041 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 798' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -147.93 179.36 7.79 Favored 'General case' 0 C--N 1.312 -1.063 0 N-CA-C 104.699 -2.334 . . . . 1.3100000000000001 104.699 169.507 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 799' ' ' LYS . . . . . 0.447 ' HB2' ' O ' ' A' ' 805' ' ' LYS . 0.0 OUTLIER -147.28 146.18 29.65 Favored 'General case' 0 N--CA 1.442 -0.833 0 C-N-CA 116.22 -2.192 . . . . 1.78 115.226 -172.782 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 800' ' ' CYS . . . . . 0.535 ' HB2' ' SG ' ' A' ' 819' ' ' CYS . 6.9 t -41.85 104.21 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 111.319 -2.673 . . . . 0.29999999999999999 112.779 175.244 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -61.91 7.52 0.05 Allowed 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 113.171 0.804 . . . . 2.4199999999999999 113.171 174.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 802' ' ' TYR . . . . . 0.412 ' H ' ' C ' ' A' ' 800' ' ' CYS . 18.3 t80 -105.58 -46.85 4.07 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 122.078 -0.389 . . . . 0.87 110.118 177.158 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 5.5 p -117.39 -27.08 6.49 Favored 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 112.964 0.728 . . . . 0.28999999999999998 112.964 -177.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 96.52 23.53 16.06 Favored Glycine 0 CA--C 1.517 0.213 0 C-N-CA 120.469 -0.872 . . . . 0.27000000000000002 113.41 173.714 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 805' ' ' LYS . . . . . 0.447 ' O ' ' HB2' ' A' ' 799' ' ' LYS . 0.0 OUTLIER -82.27 124.44 29.95 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.832 0.316 . . . . 2.3100000000000001 110.453 178.687 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 806' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -87.54 129.06 35.22 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-O 121.1 0.476 . . . . 0.93000000000000005 109.881 -178.322 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -158.48 165.66 18.09 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-N 115.047 -0.978 . . . . 0.31 110.237 -172.858 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 808' ' ' PRO . . . . . . . . . . . . . 15.2 Cg_exo -68.28 130.0 20.35 Favored 'Trans proline' 0 N--CA 1.459 -0.527 0 C-N-CA 122.145 1.897 . . . . 0.56999999999999995 111.674 -178.358 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 809' ' ' ALA . . . . . . . . . . . . . . . -43.01 -27.94 0.23 Allowed 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 114.88 -1.055 . . . . 0.28999999999999998 113.509 178.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -57.41 -38.83 74.94 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.915 0.709 . . . . 2.8599999999999999 112.915 -176.809 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -74.48 -20.75 59.88 Favored 'General case' 0 C--O 1.234 0.273 0 C-N-CA 121.225 -0.19 . . . . 1.28 111.212 -176.77 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 812' ' ' PHE . . . . . 0.597 ' HB2' ' HD3' ' A' ' 816' ' ' LYS . 11.5 m-85 -70.54 60.83 0.22 Allowed 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 112.713 0.634 . . . . 0.54000000000000004 112.713 179.046 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 14.3 mmm180 -73.7 -22.19 60.0 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.492 -0.776 . . . . 4.0599999999999996 110.878 173.585 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . -97.84 58.73 1.06 Allowed Glycine 0 N--CA 1.444 -0.807 0 N-CA-C 110.793 -0.923 . . . . 2.0600000000000001 110.793 175.53 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 28.7 t 73.99 138.09 0.06 Allowed 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.502 0.668 . . . . 1.9299999999999999 110.458 -175.747 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 816' ' ' LYS . . . . . 0.597 ' HD3' ' HB2' ' A' ' 812' ' ' PHE . 30.8 mmtp -76.5 56.83 1.14 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.572 -0.74 . . . . 1.6599999999999999 109.633 179.669 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 817' ' ' ARG . . . . . . . . . . . . . 68.9 mtm180 -147.71 -29.47 0.33 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.95 -1.023 . . . . 3.2000000000000002 109.945 -174.398 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 818' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -132.62 132.83 42.9 Favored 'General case' 0 CA--C 1.516 -0.337 0 N-CA-C 109.678 -0.49 . . . . 0.52000000000000002 109.678 -179.096 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 819' ' ' CYS . . . . . 0.535 ' SG ' ' HB2' ' A' ' 800' ' ' CYS . 2.6 p -74.97 104.85 5.72 Favored 'General case' 0 N--CA 1.439 -0.984 0 C-N-CA 120.525 -0.47 . . . . 1.3600000000000001 111.0 -173.079 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 27.6 p 87.51 -154.74 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.199 0.999 . . . . 1.1799999999999999 110.248 161.787 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 821' ' ' MET . . . . . . . . . . . . . 31.3 mmt -85.29 -59.72 2.24 Favored 'General case' 0 C--N 1.328 -0.346 0 O-C-N 122.229 -0.295 . . . . 2.1000000000000001 111.34 -172.413 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 822' ' ' THR . . . . . . . . . . . . . 25.9 m -44.97 -50.28 10.69 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 123.494 0.718 . . . . 0.77000000000000002 112.822 177.546 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 823' ' ' CYS . . . . . 0.513 ' HB2' ' O ' ' A' ' 819' ' ' CYS . 72.9 m -69.77 -43.42 72.22 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 112.779 0.659 . . . . 0.62 112.779 -176.689 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 824' ' ' ALA . . . . . . . . . . . . . . . -62.03 -43.83 98.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.098 0.475 . . . . 0.32000000000000001 110.246 177.137 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 825' ' ' LYS . . . . . 0.417 ' HE2' ' HB3' ' A' ' 825' ' ' LYS . 50.6 mtpt -65.05 -30.25 71.21 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-N 115.788 -0.642 . . . . 2.6000000000000001 111.162 177.124 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 22.2 tpt180 -65.18 -28.17 69.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.303 0.573 . . . . 3.5299999999999998 110.008 -177.172 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 827' ' ' TYR . . . . . . . . . . . . . 46.3 t80 . . . . . 0 C--N 1.327 -0.39 0 CA-C-N 115.538 -0.756 . . . . 1.49 110.116 177.055 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 796' ' ' ASN . . . . . 0.479 HD22 ' N ' ' A' ' 796' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.464 0.242 0 CA-C-O 121.655 0.74 . . . . 1.6799999999999999 111.422 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 797' ' ' LEU . . . . . . . . . . . . . 16.8 mt -104.9 147.7 27.48 Favored 'General case' 0 N--CA 1.445 -0.678 0 O-C-N 121.763 -0.586 . . . . 0.55000000000000004 110.011 -178.006 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 798' ' ' LEU . . . . . 0.477 HD22 ' N ' ' A' ' 799' ' ' LYS . 0.0 OUTLIER -151.07 173.26 14.56 Favored 'General case' 0 C--N 1.312 -1.065 0 N-CA-C 105.84 -1.911 . . . . 1.3100000000000001 105.84 172.518 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 799' ' ' LYS . . . . . 0.551 ' HD2' ' CZ ' ' A' ' 806' ' ' TYR . 0.0 OUTLIER -131.0 144.73 51.7 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 116.896 -1.921 . . . . 1.78 114.503 -168.041 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 800' ' ' CYS . . . . . 0.492 ' SG ' ' SG ' ' A' ' 819' ' ' CYS . 43.7 t -47.3 112.2 0.5 Allowed 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 111.451 -2.613 . . . . 0.29999999999999999 111.595 177.289 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -62.31 13.9 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 113.089 0.774 . . . . 2.4199999999999999 113.089 176.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 802' ' ' TYR . . . . . 0.449 ' H ' ' C ' ' A' ' 800' ' ' CYS . 30.6 t80 -108.43 -88.72 0.48 Allowed 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.664 -0.865 . . . . 0.87 108.664 169.871 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 7.6 p -62.89 -42.98 99.97 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 113.124 0.787 . . . . 0.28999999999999998 113.124 176.329 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 95.52 23.78 17.93 Favored Glycine 0 C--N 1.315 -0.628 0 C-N-CA 120.072 -1.061 . . . . 0.27000000000000002 112.872 176.547 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 805' ' ' LYS . . . . . . . . . . . . . 23.6 ttpt -83.61 140.51 32.16 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.679 0.276 . . . . 2.3100000000000001 110.462 177.797 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 806' ' ' TYR . . . . . 0.551 ' CZ ' ' HD2' ' A' ' 799' ' ' LYS . 29.7 m-85 -83.88 135.06 34.64 Favored 'General case' 0 CA--C 1.515 -0.379 0 CA-C-N 115.718 -0.674 . . . . 0.93000000000000005 110.85 -176.847 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -157.68 155.3 26.73 Favored Pre-proline 0 C--N 1.317 -0.817 0 CA-C-N 115.057 -0.974 . . . . 0.31 110.328 -175.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 808' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_exo -62.67 128.12 22.52 Favored 'Trans proline' 0 N--CA 1.458 -0.597 0 C-N-CA 122.285 1.99 . . . . 0.56999999999999995 111.022 177.12 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 809' ' ' ALA . . . . . . . . . . . . . . . -44.02 -23.98 0.12 Allowed 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 113.84 1.052 . . . . 0.28999999999999998 113.84 179.664 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.44 -34.22 68.74 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 122.961 0.504 . . . . 2.8599999999999999 110.683 178.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -78.68 -25.16 44.78 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 116.133 -0.485 . . . . 1.28 110.789 -174.203 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 812' ' ' PHE . . . . . 0.417 ' HB3' ' HA ' ' A' ' 816' ' ' LYS . 3.9 m-85 -68.64 58.54 0.09 Allowed 'General case' 0 CA--C 1.531 0.239 0 CA-C-O 121.76 0.79 . . . . 0.54000000000000004 111.699 175.385 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 68.1 mtt180 -82.41 144.48 30.46 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 114.537 -1.211 . . . . 4.0599999999999996 110.087 177.742 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 91.49 -48.67 2.87 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.876 -0.678 . . . . 2.0600000000000001 111.791 -176.403 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 12.1 p -160.74 126.11 3.82 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.712 0.291 . . . . 1.9299999999999999 110.847 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 816' ' ' LYS . . . . . 0.417 ' HA ' ' HB3' ' A' ' 812' ' ' PHE . 0.5 OUTLIER -78.4 57.93 2.04 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 121.542 0.687 . . . . 1.6599999999999999 110.045 179.456 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 817' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -136.23 -34.85 0.77 Allowed 'General case' 0 C--N 1.319 -0.76 0 C-N-CA 124.001 0.92 . . . . 3.2000000000000002 109.167 -175.499 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 818' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -136.44 164.26 28.58 Favored 'General case' 0 N--CA 1.442 -0.863 0 N-CA-C 108.377 -0.971 . . . . 0.52000000000000002 108.377 -176.207 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 819' ' ' CYS . . . . . 0.492 ' SG ' ' SG ' ' A' ' 800' ' ' CYS . 1.3 p -67.21 -158.82 0.02 OUTLIER 'General case' 0 C--N 1.31 -1.121 0 N-CA-C 108.488 -0.93 . . . . 1.3600000000000001 108.488 168.664 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 48.4 p -67.26 -120.49 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 113.985 1.106 . . . . 1.1799999999999999 113.985 -158.188 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 821' ' ' MET . . . . . 0.55 ' O ' ' HG2' ' A' ' 825' ' ' LYS . 32.5 mmt -83.67 -64.58 1.14 Allowed 'General case' 0 C--N 1.319 -0.726 0 O-C-N 120.95 -1.093 . . . . 2.1000000000000001 111.836 -163.052 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 822' ' ' THR . . . . . . . . . . . . . 18.2 m -45.55 -46.09 13.88 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 112.847 0.684 . . . . 0.77000000000000002 112.847 -178.046 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 823' ' ' CYS . . . . . . . . . . . . . 86.9 m -73.52 -50.31 22.11 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 112.811 0.671 . . . . 0.62 112.811 -174.66 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 824' ' ' ALA . . . . . . . . . . . . . . . -57.75 -42.74 84.56 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-O 121.116 0.484 . . . . 0.32000000000000001 110.213 178.708 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 825' ' ' LYS . . . . . 0.55 ' HG2' ' O ' ' A' ' 821' ' ' MET . 25.9 mmmt -65.7 -39.28 91.09 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.606 -0.724 . . . . 2.6000000000000001 111.633 -179.549 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 826' ' ' ARG . . . . . 0.622 ' HA ' ' NE ' ' A' ' 826' ' ' ARG . 1.4 tpm_? -69.69 -27.47 65.03 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.796 -0.361 . . . . 3.5299999999999998 111.565 -171.055 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 827' ' ' TYR . . . . . . . . . . . . . 63.1 t80 . . . . . 0 C--N 1.326 -0.441 0 N-CA-C 109.638 -0.504 . . . . 1.49 109.638 -177.74 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 796' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 . . . . . 0 N--CA 1.45 -0.431 0 N-CA-C 106.676 -1.602 . . . . 1.6799999999999999 106.676 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 797' ' ' LEU . . . . . . . . . . . . . 10.2 mt -88.76 153.96 20.66 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 112.767 -2.015 . . . . 0.55000000000000004 112.247 -167.88 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 798' ' ' LEU . . . . . 0.463 ' C ' HD22 ' A' ' 798' ' ' LEU . 0.0 OUTLIER -145.85 142.95 29.3 Favored 'General case' 0 C--N 1.315 -0.908 0 N-CA-C 106.271 -1.751 . . . . 1.3100000000000001 106.271 166.796 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 799' ' ' LYS . . . . . 0.671 ' H ' ' HD3' ' A' ' 799' ' ' LYS . 0.0 OUTLIER -99.77 136.43 39.7 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 118.117 -1.433 . . . . 1.78 114.401 -164.581 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 800' ' ' CYS . . . . . 0.546 ' HB2' ' SG ' ' A' ' 819' ' ' CYS . 46.8 t -43.12 107.38 0.08 Allowed 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 111.885 -2.416 . . . . 0.29999999999999999 112.264 171.714 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -62.82 5.69 0.12 Allowed 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 113.115 0.784 . . . . 2.4199999999999999 113.115 -179.455 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 802' ' ' TYR . . . . . 0.447 ' HB2' ' CD1' ' A' ' 818' ' ' PHE . 37.8 t80 -103.27 -49.16 3.8 Favored 'General case' 0 C--N 1.328 -0.354 0 O-C-N 121.41 -0.806 . . . . 0.87 110.335 178.803 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 7.0 p -112.29 -20.09 11.98 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 111.865 0.32 . . . . 0.28999999999999998 111.865 -178.76 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 93.08 14.22 54.93 Favored Glycine 0 N--CA 1.445 -0.722 0 C-N-CA 120.306 -0.95 . . . . 0.27000000000000002 112.599 172.284 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 805' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -85.89 136.23 33.37 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 110.325 -0.25 . . . . 2.3100000000000001 110.325 -176.226 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 806' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -87.07 131.72 34.04 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.01 0.433 . . . . 0.93000000000000005 110.021 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -149.4 153.88 37.82 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-N 115.395 -0.82 . . . . 0.31 109.901 -177.605 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 808' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -63.0 128.6 23.41 Favored 'Trans proline' 0 N--CA 1.46 -0.449 0 C-N-CA 122.335 2.023 . . . . 0.56999999999999995 111.692 -178.049 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 809' ' ' ALA . . . . . . . . . . . . . . . -45.41 -29.52 1.11 Allowed 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 114.879 -1.055 . . . . 0.28999999999999998 113.316 -177.509 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -51.66 -37.68 51.53 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 123.385 0.674 . . . . 2.8599999999999999 111.503 178.08 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -77.89 -24.8 48.33 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.737 -0.665 . . . . 1.28 111.257 -175.348 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 812' ' ' PHE . . . . . 0.659 ' HB3' ' HA ' ' A' ' 816' ' ' LYS . 36.7 m-85 -69.81 49.84 0.1 Allowed 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 113.941 1.089 . . . . 0.54000000000000004 113.941 179.558 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 75.2 mtt180 -81.4 145.33 30.86 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.733 -0.667 . . . . 4.0599999999999996 109.407 173.041 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 94.84 -54.48 1.92 Allowed Glycine 0 N--CA 1.445 -0.727 0 N-CA-C 110.921 -0.871 . . . . 2.0600000000000001 110.921 -172.514 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 18.5 p -161.56 123.5 2.92 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.422 0.153 . . . . 1.9299999999999999 110.63 178.465 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 816' ' ' LYS . . . . . 0.659 ' HA ' ' HB3' ' A' ' 812' ' ' PHE . 96.0 mttt -78.51 64.89 3.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.694 0.759 . . . . 1.6599999999999999 109.544 177.539 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 817' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -148.03 -34.37 0.23 Allowed 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 114.52 -1.218 . . . . 3.2000000000000002 109.458 -172.449 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 818' ' ' PHE . . . . . 0.447 ' CD1' ' HB2' ' A' ' 802' ' ' TYR . 69.5 m-85 -136.75 139.81 42.12 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.189 -0.671 . . . . 0.52000000000000002 109.189 -175.116 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 819' ' ' CYS . . . . . 0.546 ' SG ' ' HB2' ' A' ' 800' ' ' CYS . 2.0 p -75.0 102.86 4.97 Favored 'General case' 0 N--CA 1.439 -1.015 0 C-N-CA 119.754 -0.778 . . . . 1.3600000000000001 111.001 -174.231 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 820' ' ' SER . . . . . 0.424 ' HB3' ' O ' ' A' ' 819' ' ' CYS . 34.9 t 88.36 -158.21 0.01 OUTLIER 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.132 0.573 . . . . 1.1799999999999999 109.905 162.154 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 821' ' ' MET . . . . . . . . . . . . . 31.7 mmt -82.66 -54.71 4.93 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 111.718 0.266 . . . . 2.1000000000000001 111.718 -173.121 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 822' ' ' THR . . . . . . . . . . . . . 3.9 m -44.17 -52.49 7.29 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 123.786 0.834 . . . . 0.77000000000000002 112.837 177.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 823' ' ' CYS . . . . . . . . . . . . . 98.4 m -69.92 -48.15 59.64 Favored 'General case' 0 C--N 1.312 -1.051 0 N-CA-C 112.778 0.658 . . . . 0.62 112.778 -176.134 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 824' ' ' ALA . . . . . . . . . . . . . . . -60.45 -46.74 88.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.248 -0.433 . . . . 0.32000000000000001 111.485 -177.361 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 19.9 ptmt -65.78 -30.9 71.62 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 116.013 -0.539 . . . . 2.6000000000000001 110.298 -178.796 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 43.9 ttt180 -70.63 -25.1 62.87 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.562 -0.745 . . . . 3.5299999999999998 110.646 -173.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 827' ' ' TYR . . . . . . . . . . . . . 81.2 t80 . . . . . 0 CA--C 1.535 0.384 0 CA-C-O 121.914 0.864 . . . . 1.49 109.909 177.017 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.675 0 N-CA-C 111.968 -0.453 . . . . 12.460000000000001 111.968 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.4 p -93.92 34.68 1.21 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.946 0.403 . . . . 10.84 112.016 -177.308 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 80.4 mtp180 -109.77 107.02 16.86 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.329 -0.396 . . . . 12.75 110.121 177.706 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . 96.74 31.12 7.2 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.946 -0.645 . . . . 8.5 112.592 179.438 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 784' ' ' VAL . . . . . . . . . . . . . 61.6 t -82.95 -67.76 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 O-C-N 122.699 -0.295 . . . . 10.4 110.432 179.525 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -89.28 44.07 1.19 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.538 0.685 . . . . 11.27 110.146 178.601 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 786' ' ' SER . . . . . 0.409 ' OG ' ' HB2' ' A' ' 793' ' ' LYS . 5.0 m -122.6 120.2 27.96 Favored Pre-proline 0 C--N 1.32 -0.715 0 CA-C-N 116.089 -0.505 . . . . 8.9499999999999993 112.185 -171.803 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 787' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_exo -71.76 -41.01 2.4 Favored 'Trans proline' 0 N--CA 1.46 -0.477 0 C-N-CA 122.751 2.301 . . . . 11.09 109.853 168.619 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 788' ' ' SER . . . . . . . . . . . . . 17.5 m -87.47 52.76 2.58 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 115.006 -0.997 . . . . 10.449999999999999 109.641 173.441 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -60.11 -34.48 73.55 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.076 -0.511 . . . . 9.0700000000000003 110.882 -178.626 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 790' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -59.7 -36.49 76.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.703 -0.681 . . . . 9.3399999999999999 111.099 178.422 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 791' ' ' LEU . . . . . . . . . . . . . 89.5 mt -92.81 18.16 9.36 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.219 0.533 . . . . 8.6799999999999997 110.058 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 792' ' ' ASP . . . . . 0.463 ' O ' ' HB3' ' A' ' 793' ' ' LYS . 16.3 t70 56.12 41.63 29.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 114.561 -1.199 . . . . 7.0999999999999996 111.476 175.382 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 793' ' ' LYS . . . . . 0.463 ' HB3' ' O ' ' A' ' 792' ' ' ASP . 51.0 tptt 73.92 -23.66 0.22 Allowed 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 116.012 -0.54 . . . . 6.2999999999999998 111.667 176.288 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 794' ' ' LYS . . . . . 0.67 ' HB3' HD21 ' A' ' 797' ' ' LEU . 0.0 OUTLIER 56.31 46.98 20.07 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.228 -0.896 . . . . 6.5499999999999998 108.691 -167.893 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -74.26 -62.97 1.33 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.243 -0.889 . . . . 1.5600000000000001 111.17 175.095 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 796' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -77.7 77.15 4.22 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 114.322 -1.308 . . . . 1.6799999999999999 111.522 -176.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 797' ' ' LEU . . . . . 0.67 HD21 ' HB3' ' A' ' 794' ' ' LYS . 15.6 mt -98.17 152.6 19.19 Favored 'General case' 0 N--CA 1.441 -0.92 0 CA-C-O 122.093 0.949 . . . . 0.55000000000000004 112.275 -178.643 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 798' ' ' LEU . . . . . 0.497 HD12 ' N ' ' A' ' 799' ' ' LYS . 1.0 OUTLIER -145.23 179.91 7.07 Favored 'General case' 0 C--N 1.305 -1.366 0 N-CA-C 103.717 -2.698 . . . . 1.3100000000000001 103.717 166.714 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 799' ' ' LYS . . . . . 0.497 ' N ' HD12 ' A' ' 798' ' ' LEU . 0.0 OUTLIER -145.01 148.0 33.25 Favored 'General case' 0 C--N 1.315 -0.892 0 C-N-CA 116.75 -1.98 . . . . 1.78 113.547 -176.02 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 800' ' ' CYS . . . . . 0.47 ' HA ' ' HA ' ' A' ' 818' ' ' PHE . 53.9 t -49.62 111.33 0.49 Allowed 'General case' 0 N--CA 1.44 -0.933 0 CA-C-N 112.366 -2.197 . . . . 0.29999999999999999 111.26 178.742 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 55.4 mm-40 -62.92 12.88 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 112.667 0.617 . . . . 2.4199999999999999 112.667 177.098 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 802' ' ' TYR . . . . . 0.457 ' H ' ' C ' ' A' ' 800' ' ' CYS . 36.0 t80 -105.81 -89.63 0.43 Allowed 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 108.672 -0.862 . . . . 0.87 108.672 171.004 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 3.2 p -65.45 -32.74 74.52 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 113.841 1.052 . . . . 0.28999999999999998 113.841 177.62 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 90.85 20.13 41.04 Favored Glycine 0 C--N 1.318 -0.46 0 C-N-CA 119.833 -1.175 . . . . 0.27000000000000002 113.358 174.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 805' ' ' LYS . . . . . . . . . . . . . 64.1 mttm -82.16 136.69 35.1 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.688 0.28 . . . . 2.3100000000000001 110.635 178.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 806' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -88.15 138.41 31.47 Favored 'General case' 0 CA--C 1.514 -0.414 0 CA-C-N 115.752 -0.658 . . . . 0.93000000000000005 109.83 -177.045 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 807' ' ' ALA . . . . . 0.437 ' C ' HD22 ' A' ' 797' ' ' LEU . . . -157.09 160.68 30.47 Favored Pre-proline 0 C--N 1.315 -0.912 0 CA-C-N 115.386 -0.825 . . . . 0.31 109.477 -176.003 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 808' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_exo -63.23 125.85 16.61 Favored 'Trans proline' 0 N--CA 1.451 -0.983 0 C-N-CA 121.37 1.38 . . . . 0.56999999999999995 109.909 176.369 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 809' ' ' ALA . . . . . 0.501 ' HA ' ' CD1' ' A' ' 812' ' ' PHE . . . -42.08 -26.96 0.11 Allowed 'General case' 0 N--CA 1.477 0.879 0 O-C-N 124.45 1.093 . . . . 0.28999999999999998 113.568 -177.023 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -61.32 -26.35 67.74 Favored 'General case' 0 C--N 1.318 -0.768 0 C-N-CA 122.885 0.474 . . . . 2.8599999999999999 112.2 178.566 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -87.29 -2.07 58.36 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.664 0.745 . . . . 1.28 109.769 -177.399 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 812' ' ' PHE . . . . . 0.501 ' CD1' ' HA ' ' A' ' 809' ' ' ALA . 67.6 m-85 -91.86 62.84 4.42 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 122.144 0.973 . . . . 0.54000000000000004 109.089 -176.773 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 813' ' ' ARG . . . . . 0.413 HH11 ' HD3' ' A' ' 813' ' ' ARG . 14.1 mmm-85 -71.99 -5.25 33.58 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 113.523 -1.671 . . . . 4.0599999999999996 110.645 -178.125 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . -82.64 33.83 2.77 Favored Glycine 0 N--CA 1.449 -0.451 0 N-CA-C 111.087 -0.805 . . . . 2.0600000000000001 111.087 173.446 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 16.3 m 56.61 47.11 19.12 Favored 'General case' 0 C--O 1.231 0.126 0 C-N-CA 123.29 0.636 . . . . 1.9299999999999999 111.016 -179.349 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp 55.36 58.21 4.81 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 114.891 -1.049 . . . . 1.6599999999999999 111.299 171.329 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 817' ' ' ARG . . . . . . . . . . . . . 60.0 mtt85 -144.3 -42.56 0.26 Allowed 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 107.865 -1.161 . . . . 3.2000000000000002 107.865 178.412 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 818' ' ' PHE . . . . . 0.47 ' HA ' ' HA ' ' A' ' 800' ' ' CYS . 93.0 m-85 -135.98 162.86 31.68 Favored 'General case' 0 N--CA 1.438 -1.066 0 CA-C-N 114.275 -1.329 . . . . 0.52000000000000002 108.585 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 819' ' ' CYS . . . . . . . . . . . . . 1.8 p -68.57 -157.79 0.02 OUTLIER 'General case' 0 C--N 1.315 -0.931 0 N-CA-C 108.822 -0.807 . . . . 1.3600000000000001 108.822 170.36 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 29.8 p -67.87 -131.04 0.0 OUTLIER 'General case' 0 CA--C 1.55 0.973 0 N-CA-C 113.751 1.019 . . . . 1.1799999999999999 113.751 -160.675 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 821' ' ' MET . . . . . 0.618 ' O ' ' HG2' ' A' ' 825' ' ' LYS . 32.4 mmt -78.46 -57.56 3.71 Favored 'General case' 0 CA--C 1.515 -0.394 0 O-C-N 121.001 -1.062 . . . . 2.1000000000000001 112.134 -161.117 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 822' ' ' THR . . . . . 0.429 ' O ' ' HB2' ' A' ' 826' ' ' ARG . 4.1 m -44.35 -51.98 8.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 123.701 0.626 . . . . 0.77000000000000002 112.04 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 823' ' ' CYS . . . . . . . . . . . . . 91.5 m -73.07 -54.04 9.55 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 113.777 1.028 . . . . 0.62 113.777 -175.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 824' ' ' ALA . . . . . . . . . . . . . . . -58.73 -45.08 90.42 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-O 120.652 0.263 . . . . 0.32000000000000001 111.408 -177.628 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 825' ' ' LYS . . . . . 0.618 ' HG2' ' O ' ' A' ' 821' ' ' MET . 19.1 ptmt -66.12 -27.68 68.23 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 121.018 -0.273 . . . . 2.6000000000000001 111.138 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 826' ' ' ARG . . . . . 0.429 ' HB2' ' O ' ' A' ' 822' ' ' THR . 66.8 ttt180 -73.8 -23.82 59.74 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 121.464 0.649 . . . . 3.5299999999999998 110.069 -173.619 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 827' ' ' TYR . . . . . . . . . . . . . 79.8 t80 -85.58 -34.0 21.56 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.074 -0.966 . . . . 1.49 110.051 177.189 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 828' ' ' ASN . . . . . . . . . . . . . 48.8 m-80 . . . . . 0 C--O 1.252 1.202 0 CA-C-N 115.63 -0.714 . . . . 3.1000000000000001 110.833 -178.152 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 829' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.916 0 N-CA-C 111.749 -0.54 . . . . 12.460000000000001 111.749 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 22.5 m -137.32 88.8 2.37 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.06 0.457 . . . . 10.84 110.472 -179.256 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 25.5 ttm180 -68.66 151.53 46.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.091 -0.504 . . . . 12.75 111.265 178.623 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . 134.02 -11.14 4.79 Favored Glycine 0 N--CA 1.45 -0.385 0 N-CA-C 111.323 -0.711 . . . . 8.5 111.323 -179.029 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 784' ' ' VAL . . . . . . . . . . . . . 15.0 p -123.96 -22.75 2.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 121.545 0.688 . . . . 10.4 109.951 178.105 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -77.25 -26.73 52.83 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.448 -0.796 . . . . 11.27 109.94 176.299 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 786' ' ' SER . . . . . . . . . . . . . 49.5 m -114.69 141.84 27.36 Favored Pre-proline 0 N--CA 1.446 -0.627 0 CA-C-N 115.419 -0.81 . . . . 8.9499999999999993 111.025 -175.183 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 787' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -64.15 -17.49 59.94 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.926 2.417 . . . . 11.09 111.376 173.471 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 788' ' ' SER . . . . . . . . . . . . . 14.2 m -81.43 61.24 4.81 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 108.934 -0.765 . . . . 10.449999999999999 108.934 169.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -61.32 -48.46 81.23 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.456 -0.793 . . . . 9.0700000000000003 111.809 -172.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 790' ' ' GLU . . . . . 0.636 ' HA ' ' HB2' ' A' ' 793' ' ' LYS . 48.5 mt-10 -74.49 -6.54 48.94 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.266 0.469 . . . . 9.3399999999999999 112.266 -175.222 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 791' ' ' LEU . . . . . 0.511 ' O ' ' HG ' ' A' ' 791' ' ' LEU . 57.4 tp -78.22 41.09 0.37 Allowed 'General case' 0 N--CA 1.447 -0.579 0 CA-C-O 122.254 1.026 . . . . 8.6799999999999997 110.234 -176.233 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 792' ' ' ASP . . . . . 0.451 ' H ' ' C ' ' A' ' 790' ' ' GLU . 17.8 t70 177.95 -33.02 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 114.342 -1.299 . . . . 7.0999999999999996 108.483 -179.65 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 793' ' ' LYS . . . . . 0.636 ' HB2' ' HA ' ' A' ' 790' ' ' GLU . 31.4 mmmt -69.79 -47.5 62.62 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 114.174 -1.376 . . . . 6.2999999999999998 110.973 178.37 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 794' ' ' LYS . . . . . 0.512 ' HG3' ' H ' ' A' ' 795' ' ' ALA . 14.2 pttp -162.69 -76.88 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.221 -0.445 . . . . 6.5499999999999998 110.988 179.254 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 795' ' ' ALA . . . . . 0.512 ' H ' ' HG3' ' A' ' 794' ' ' LYS . . . 45.08 39.13 3.61 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 121.075 0.464 . . . . 1.5600000000000001 111.738 -176.807 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 796' ' ' ASN . . . . . . . . . . . . . 36.7 p-10 -75.34 74.26 2.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 122.026 0.917 . . . . 1.6799999999999999 109.753 174.418 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 797' ' ' LEU . . . . . 0.401 ' HG ' ' O ' ' A' ' 795' ' ' ALA . 16.2 mt -90.48 147.29 23.49 Favored 'General case' 0 N--CA 1.442 -0.842 0 CA-C-N 115.624 -0.716 . . . . 0.55000000000000004 111.214 -171.448 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 798' ' ' LEU . . . . . 0.458 ' C ' HD22 ' A' ' 798' ' ' LEU . 0.0 OUTLIER -144.89 171.12 14.89 Favored 'General case' 0 C--N 1.309 -1.171 0 N-CA-C 104.814 -2.291 . . . . 1.3100000000000001 104.814 169.129 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 799' ' ' LYS . . . . . 0.458 ' HD2' ' CE2' ' A' ' 806' ' ' TYR . 0.0 OUTLIER -135.69 139.92 44.05 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 116.63 -2.028 . . . . 1.78 114.203 -171.575 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 800' ' ' CYS . . . . . 0.734 ' HB2' ' SG ' ' A' ' 819' ' ' CYS . 49.0 t -42.55 116.43 0.85 Allowed 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 111.324 -2.671 . . . . 0.29999999999999999 113.105 178.16 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -59.26 -3.48 0.41 Allowed 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 115.293 -0.867 . . . . 2.4199999999999999 112.793 176.284 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 802' ' ' TYR . . . . . 0.49 ' HB2' ' CE1' ' A' ' 818' ' ' PHE . 21.9 t80 -102.68 -49.73 3.75 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.261 -0.576 . . . . 0.87 110.899 -179.602 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 7.7 p -112.4 -27.27 8.34 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.749 0.648 . . . . 0.28999999999999998 112.749 -177.051 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 90.88 19.11 44.67 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.061 -1.066 . . . . 0.27000000000000002 112.718 174.104 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 805' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -79.45 132.02 36.24 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.937 -0.394 . . . . 2.3100000000000001 109.937 178.193 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 806' ' ' TYR . . . . . 0.458 ' CE2' ' HD2' ' A' ' 799' ' ' LYS . 73.1 m-85 -89.54 131.09 35.73 Favored 'General case' 0 CA--C 1.515 -0.37 0 N-CA-C 109.644 -0.502 . . . . 0.93000000000000005 109.644 -179.384 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -156.11 157.12 31.11 Favored Pre-proline 0 C--N 1.319 -0.743 0 CA-C-N 115.62 -0.718 . . . . 0.31 109.825 -177.047 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 808' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_exo -58.2 126.98 23.16 Favored 'Trans proline' 0 N--CA 1.461 -0.397 0 C-N-CA 122.602 2.201 . . . . 0.56999999999999995 111.584 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 809' ' ' ALA . . . . . . . . . . . . . . . -44.89 -32.98 1.78 Allowed 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 113.741 1.015 . . . . 0.28999999999999998 113.741 -177.541 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 2.7 pm0 -58.83 -28.5 66.1 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.025 -0.534 . . . . 2.8599999999999999 111.636 179.475 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -78.81 -29.6 44.94 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.271 -0.422 . . . . 1.28 110.508 -179.645 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 812' ' ' PHE . . . . . 0.748 ' HB3' ' HA ' ' A' ' 816' ' ' LYS . 33.6 m-85 -69.84 54.99 0.13 Allowed 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 113.176 0.806 . . . . 0.54000000000000004 113.176 -179.529 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 69.9 mtm-85 -79.39 14.38 1.59 Allowed 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.76 -0.655 . . . . 4.0599999999999996 110.922 175.756 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . -94.46 42.57 2.43 Favored Glycine 0 N--CA 1.444 -0.776 0 N-CA-C 110.174 -1.17 . . . . 2.0600000000000001 110.174 167.277 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 7.8 t 60.76 39.87 16.77 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 121.336 0.588 . . . . 1.9299999999999999 111.118 -178.191 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 816' ' ' LYS . . . . . 0.748 ' HA ' ' HB3' ' A' ' 812' ' ' PHE . 97.4 mttt 47.36 56.46 6.93 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 114.587 -1.188 . . . . 1.6599999999999999 111.989 165.648 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 817' ' ' ARG . . . . . . . . . . . . . 61.6 mtm180 -153.91 -31.34 0.12 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 113.538 -1.665 . . . . 3.2000000000000002 109.062 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 818' ' ' PHE . . . . . 0.49 ' CE1' ' HB2' ' A' ' 802' ' ' TYR . 81.2 m-85 -133.5 136.77 45.29 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 109.313 -0.625 . . . . 0.52000000000000002 109.313 175.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 819' ' ' CYS . . . . . 0.734 ' SG ' ' HB2' ' A' ' 800' ' ' CYS . 0.8 OUTLIER -73.98 103.54 4.51 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 116.11 -0.496 . . . . 1.3600000000000001 111.413 -173.303 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 56.5 p 82.75 -154.38 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.573 1.149 . . . . 1.1799999999999999 110.001 163.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 821' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.9 -60.38 2.03 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.846 0.355 . . . . 2.1000000000000001 111.117 -172.771 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 822' ' ' THR . . . . . 0.463 ' HA ' ' HD3' ' A' ' 825' ' ' LYS . 0.5 OUTLIER -45.56 -41.71 10.18 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 113.649 0.981 . . . . 0.77000000000000002 113.649 177.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 823' ' ' CYS . . . . . 0.584 ' HB2' ' O ' ' A' ' 819' ' ' CYS . 93.2 m -74.41 -43.83 54.62 Favored 'General case' 0 C--N 1.313 -1.003 0 N-CA-C 112.407 0.521 . . . . 0.62 112.407 178.841 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 824' ' ' ALA . . . . . . . . . . . . . . . -61.84 -44.6 96.51 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.501 -0.318 . . . . 0.32000000000000001 111.324 179.479 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 825' ' ' LYS . . . . . 0.463 ' HD3' ' HA ' ' A' ' 822' ' ' THR . 0.0 OUTLIER -64.7 -27.66 69.07 Favored 'General case' 0 C--O 1.227 -0.121 0 CA-C-O 120.965 0.412 . . . . 2.6000000000000001 110.629 178.478 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 7.4 tpp180 -66.89 -31.03 71.36 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 115.642 -0.708 . . . . 3.5299999999999998 110.873 -176.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 827' ' ' TYR . . . . . . . . . . . . . 88.7 t80 -87.59 -13.22 43.4 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.743 -0.383 . . . . 1.49 110.434 178.013 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 828' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 . . . . . 0 C--O 1.251 1.138 0 CA-C-O 118.789 -0.624 . . . . 3.1000000000000001 110.818 -179.498 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 829' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.889 0 N-CA-C 111.68 -0.568 . . . . 12.460000000000001 111.68 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 55.1 m 74.98 -48.22 0.63 Allowed 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.21 0.604 . . . . 10.84 112.237 173.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 44.0 mtp180 -87.27 -74.28 0.44 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.784 0.325 . . . . 12.75 110.641 178.484 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 783' ' ' GLY . . . . . 0.407 ' O ' ' HB ' ' A' ' 784' ' ' VAL . . . 140.72 -164.05 26.44 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.742 -0.742 . . . . 8.5 112.071 -179.187 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 784' ' ' VAL . . . . . 0.484 ' HA ' ' OE1' ' A' ' 810' ' ' GLU . 93.6 t 77.33 -56.97 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.472 0 C-N-CA 123.345 0.658 . . . . 10.4 110.252 178.05 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -119.29 95.5 4.83 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 108.47 -0.937 . . . . 11.27 108.47 170.253 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 786' ' ' SER . . . . . 0.501 ' HA ' ' HD3' ' A' ' 787' ' ' PRO . 53.4 m -136.42 132.63 18.92 Favored Pre-proline 0 C--N 1.318 -0.766 0 CA-C-N 116.302 -0.408 . . . . 8.9499999999999993 111.663 -175.423 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 787' ' ' PRO . . . . . 0.501 ' HD3' ' HA ' ' A' ' 786' ' ' SER . 5.3 Cg_endo -87.38 5.37 5.66 Favored 'Trans proline' 0 N--CA 1.456 -0.677 0 C-N-CA 123.5 2.8 . . . . 11.09 111.023 173.585 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 788' ' ' SER . . . . . . . . . . . . . 21.8 t -135.61 157.02 47.91 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-N 114.981 -1.008 . . . . 10.449999999999999 108.602 179.489 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -76.34 68.55 2.73 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.873 0.368 . . . . 9.0700000000000003 111.396 -177.443 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 790' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -116.28 -7.42 11.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.02 -0.536 . . . . 9.3399999999999999 111.498 178.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 791' ' ' LEU . . . . . . . . . . . . . 4.2 pp -85.67 -3.65 58.94 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 119.709 -0.796 . . . . 8.6799999999999997 110.258 -175.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -88.13 2.7 51.45 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 114.708 -1.133 . . . . 7.0999999999999996 109.399 173.447 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 793' ' ' LYS . . . . . . . . . . . . . 7.1 ttpm? -74.64 -32.78 62.38 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.376 -0.829 . . . . 6.2999999999999998 110.761 179.041 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 2.0 mmmp? -78.28 -174.76 3.87 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.472 -0.786 . . . . 6.5499999999999998 110.745 -176.432 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -161.17 33.14 0.14 Allowed 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.635 -0.711 . . . . 1.5600000000000001 109.997 -179.402 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 796' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -78.91 86.21 4.82 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.974 -1.012 . . . . 1.6799999999999999 109.264 172.282 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 797' ' ' LEU . . . . . . . . . . . . . 22.3 mt -93.57 153.68 18.29 Favored 'General case' 0 N--CA 1.441 -0.914 0 CA-C-O 121.772 0.796 . . . . 0.55000000000000004 111.198 -172.148 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 798' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -150.39 -174.08 4.64 Favored 'General case' 0 C--N 1.308 -1.215 0 N-CA-C 105.031 -2.211 . . . . 1.3100000000000001 105.031 171.203 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 799' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.78 143.07 25.15 Favored 'General case' 0 C--N 1.313 -0.989 0 C-N-CA 117.118 -1.833 . . . . 1.78 114.292 -174.19 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 800' ' ' CYS . . . . . 0.631 ' HB2' ' SG ' ' A' ' 819' ' ' CYS . 39.8 t -44.75 108.09 0.11 Allowed 'General case' 0 N--CA 1.446 -0.67 0 CA-C-N 112.124 -2.307 . . . . 0.29999999999999999 112.18 178.837 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -65.01 16.2 0.02 OUTLIER 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 113.001 0.741 . . . . 2.4199999999999999 113.001 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 802' ' ' TYR . . . . . 0.455 ' H ' ' C ' ' A' ' 800' ' ' CYS . 27.8 t80 -110.56 -41.3 4.36 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 110.045 -0.354 . . . . 0.87 110.045 173.404 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 9.1 p -116.56 -35.48 4.23 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 112.77 0.656 . . . . 0.28999999999999998 112.77 -178.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 96.07 22.52 19.9 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.607 -0.806 . . . . 0.27000000000000002 112.761 177.448 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 805' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -84.2 129.72 34.87 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 122.508 -0.407 . . . . 2.3100000000000001 110.056 179.139 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 806' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -84.56 136.4 33.81 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-O 121.299 0.571 . . . . 0.93000000000000005 111.187 -173.751 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -161.53 158.14 22.19 Favored Pre-proline 0 N--CA 1.446 -0.668 0 CA-C-N 114.87 -1.059 . . . . 0.31 109.609 -176.328 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 808' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo -59.87 131.17 38.19 Favored 'Trans proline' 0 N--CA 1.457 -0.657 0 C-N-CA 122.349 2.032 . . . . 0.56999999999999995 110.955 174.347 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 809' ' ' ALA . . . . . . . . . . . . . . . -43.22 -21.44 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 113.944 1.091 . . . . 0.28999999999999998 113.944 177.6 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 810' ' ' GLU . . . . . 0.504 ' O ' ' HG3' ' A' ' 813' ' ' ARG . 3.0 mm-40 -63.38 -26.44 68.75 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.91 0.707 . . . . 2.8599999999999999 112.91 179.392 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -76.5 -28.42 56.43 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.13 -0.693 . . . . 1.28 109.13 -178.412 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 812' ' ' PHE . . . . . 0.787 ' HB3' ' HA ' ' A' ' 816' ' ' LYS . 2.7 m-85 -70.29 45.13 0.07 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 114.524 -1.216 . . . . 0.54000000000000004 112.967 179.294 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 813' ' ' ARG . . . . . 0.504 ' HG3' ' O ' ' A' ' 810' ' ' GLU . 98.4 mtt180 -82.4 145.35 29.93 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.007 -0.738 . . . . 4.0599999999999996 109.007 173.724 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 93.71 -41.21 2.67 Favored Glycine 0 N--CA 1.445 -0.735 0 N-CA-C 110.976 -0.849 . . . . 2.0600000000000001 110.976 -170.141 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 12.9 p -171.03 124.98 0.65 Allowed 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 122.584 0.353 . . . . 1.9299999999999999 110.433 177.655 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 816' ' ' LYS . . . . . 0.787 ' HA ' ' HB3' ' A' ' 812' ' ' PHE . 72.6 mmtt -76.81 54.33 0.98 Allowed 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 121.221 0.534 . . . . 1.6599999999999999 110.177 179.496 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 817' ' ' ARG . . . . . . . . . . . . . 37.4 mmt180 -140.1 -30.66 0.67 Allowed 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 123.613 0.765 . . . . 3.2000000000000002 110.233 -171.478 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 818' ' ' PHE . . . . . 0.601 ' HA ' ' HA ' ' A' ' 800' ' ' CYS . 55.5 m-85 -136.59 164.28 28.57 Favored 'General case' 0 CA--C 1.512 -0.487 0 N-CA-C 109.736 -0.468 . . . . 0.52000000000000002 109.736 -177.629 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 819' ' ' CYS . . . . . 0.631 ' SG ' ' HB2' ' A' ' 800' ' ' CYS . 0.6 OUTLIER -68.37 -157.41 0.02 OUTLIER 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 108.534 -0.913 . . . . 1.3600000000000001 108.534 167.174 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 62.1 p -67.49 -137.1 0.0 OUTLIER 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 113.716 1.006 . . . . 1.1799999999999999 113.716 -159.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 821' ' ' MET . . . . . 0.419 ' SD ' ' HD2' ' A' ' 825' ' ' LYS . 0.0 OUTLIER -73.89 -51.93 14.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 121.014 -1.053 . . . . 2.1000000000000001 111.153 -159.764 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 822' ' ' THR . . . . . . . . . . . . . 7.4 m -44.23 -50.47 8.81 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 123.548 0.53 . . . . 0.77000000000000002 112.421 177.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 823' ' ' CYS . . . . . . . . . . . . . 69.0 m -72.37 -47.14 51.79 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 113.282 0.845 . . . . 0.62 113.282 -172.269 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 824' ' ' ALA . . . . . . . . . . . . . . . -60.82 -45.23 95.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.323 0.582 . . . . 0.32000000000000001 109.896 175.64 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 825' ' ' LYS . . . . . 0.419 ' HD2' ' SD ' ' A' ' 821' ' ' MET . 42.1 tttp -58.77 -37.09 75.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.16 -0.927 . . . . 2.6000000000000001 111.867 176.036 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 29.2 tpt180 -66.47 -33.02 74.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 3.5299999999999998 111.586 -175.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 827' ' ' TYR . . . . . . . . . . . . . 50.0 t80 -85.63 -2.12 57.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.294 -0.412 . . . . 1.49 110.038 -176.426 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 828' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 . . . . . 0 C--O 1.25 1.115 0 CA-C-N 115.929 -0.578 . . . . 3.1000000000000001 111.64 172.421 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 829' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.744 0 N-CA-C 111.48 -0.648 . . . . 12.460000000000001 111.48 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.3 t -93.04 170.25 9.8 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.964 0.412 . . . . 10.84 110.827 -175.325 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 73.1 mtm180 -101.1 115.99 31.79 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.071 -0.513 . . . . 12.75 110.188 -178.43 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . 121.78 44.64 0.37 Allowed Glycine 0 N--CA 1.451 -0.352 0 N-CA-C 111.386 -0.685 . . . . 8.5 111.386 -176.146 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 784' ' ' VAL . . . . . . . . . . . . . 62.4 t -99.37 -54.16 7.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 121.08 0.466 . . . . 10.4 110.777 -177.004 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -80.4 -5.91 57.22 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.43 0.634 . . . . 11.27 109.647 178.547 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 786' ' ' SER . . . . . 0.71 ' HB3' ' HB2' ' A' ' 792' ' ' ASP . 7.9 m -72.61 144.14 85.8 Favored Pre-proline 0 C--N 1.32 -0.715 0 CA-C-N 114.836 -1.075 . . . . 8.9499999999999993 111.206 -178.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 787' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -76.91 -16.47 16.11 Favored 'Trans proline' 0 N--CA 1.464 -0.239 0 C-N-CA 122.919 2.413 . . . . 11.09 112.258 178.302 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 788' ' ' SER . . . . . . . . . . . . . 1.3 m -111.48 165.0 12.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.006 -0.543 . . . . 10.449999999999999 109.665 178.224 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -72.69 -78.24 0.09 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.669 0.271 . . . . 9.0700000000000003 111.322 178.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 790' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -105.73 -2.01 23.77 Favored 'General case' 0 CA--C 1.518 -0.255 0 N-CA-C 112.069 0.396 . . . . 9.3399999999999999 112.069 -178.156 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 791' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -77.42 -14.15 59.77 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.581 0.705 . . . . 8.6799999999999997 110.74 -176.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 792' ' ' ASP . . . . . 0.71 ' HB2' ' HB3' ' A' ' 786' ' ' SER . 30.1 m-20 -118.4 17.08 13.85 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-N 115.062 -0.972 . . . . 7.0999999999999996 109.238 176.615 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 793' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -71.0 -24.01 62.3 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 115.026 -0.988 . . . . 6.2999999999999998 109.574 178.679 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 794' ' ' LYS . . . . . 0.63 ' HA ' ' HG ' ' A' ' 797' ' ' LEU . 23.4 pttm -75.99 85.48 2.9 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 115.61 -0.723 . . . . 6.5499999999999998 110.677 177.204 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -69.88 -27.06 64.51 Favored 'General case' 0 CA--C 1.515 -0.378 0 CA-C-O 122.009 0.909 . . . . 1.5600000000000001 109.102 176.293 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 796' ' ' ASN . . . . . . . . . . . . . 9.7 p30 -161.79 24.45 0.12 Allowed 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 113.906 -1.497 . . . . 1.6799999999999999 108.86 175.145 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 797' ' ' LEU . . . . . 0.63 ' HG ' ' HA ' ' A' ' 794' ' ' LYS . 21.6 mt -92.43 147.85 22.58 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-O 121.286 0.565 . . . . 0.55000000000000004 110.444 -170.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 798' ' ' LEU . . . . . 0.519 HD12 ' N ' ' A' ' 799' ' ' LYS . 1.3 pp -146.27 178.95 7.85 Favored 'General case' 0 C--N 1.307 -1.277 0 N-CA-C 105.26 -2.126 . . . . 1.3100000000000001 105.26 171.579 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 799' ' ' LYS . . . . . 0.519 ' N ' HD12 ' A' ' 798' ' ' LEU . 20.9 pttm -142.02 146.83 35.98 Favored 'General case' 0 N--CA 1.44 -0.963 0 C-N-CA 116.403 -2.119 . . . . 1.78 114.118 -171.598 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 800' ' ' CYS . . . . . 0.748 ' HB2' ' SG ' ' A' ' 819' ' ' CYS . 52.6 t -52.19 102.6 0.05 Allowed 'General case' 0 N--CA 1.443 -0.806 0 CA-C-N 111.747 -2.479 . . . . 0.29999999999999999 111.398 174.807 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -67.67 19.13 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 112.973 0.731 . . . . 2.4199999999999999 112.973 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 802' ' ' TYR . . . . . 0.466 ' H ' ' C ' ' A' ' 800' ' ' CYS . 60.5 t80 -105.44 -44.23 4.76 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.454 -0.573 . . . . 0.87 109.454 171.389 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 19.4 p -114.04 -27.14 7.8 Favored 'General case' 0 N--CA 1.463 0.209 0 N-CA-C 112.414 0.524 . . . . 0.28999999999999998 112.414 -178.466 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 804' ' ' GLY . . . . . 0.46 ' O ' ' HD2' ' A' ' 799' ' ' LYS . . . 91.62 17.61 48.26 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.284 -0.96 . . . . 0.27000000000000002 112.367 173.833 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 805' ' ' LYS . . . . . 0.409 ' HA ' ' HD3' ' A' ' 805' ' ' LYS . 41.8 mmtm -87.02 131.09 34.2 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 110.29 -0.263 . . . . 2.3100000000000001 110.29 -177.876 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 806' ' ' TYR . . . . . 0.49 ' CZ ' ' HD3' ' A' ' 799' ' ' LYS . 24.7 m-85 -88.56 137.94 31.87 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-O 120.922 0.392 . . . . 0.93000000000000005 110.011 -175.438 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -160.21 162.15 24.48 Favored Pre-proline 0 C--N 1.321 -0.64 0 CA-C-N 115.407 -0.815 . . . . 0.31 109.943 -176.529 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 808' ' ' PRO . . . . . 0.429 ' O ' ' HG2' ' A' ' 811' ' ' GLN . 20.2 Cg_exo -66.05 128.61 19.99 Favored 'Trans proline' 0 N--CA 1.462 -0.376 0 C-N-CA 122.435 2.09 . . . . 0.56999999999999995 111.355 -178.243 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 809' ' ' ALA . . . . . 0.486 ' O ' ' HE3' ' A' ' 816' ' ' LYS . . . -42.95 -29.72 0.35 Allowed 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 113.697 0.999 . . . . 0.28999999999999998 113.697 -178.836 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 22.7 tp10 -57.57 -38.94 75.65 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 123.129 0.572 . . . . 2.8599999999999999 112.495 -177.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 811' ' ' GLN . . . . . 0.429 ' HG2' ' O ' ' A' ' 808' ' ' PRO . 2.7 pt20 -75.79 -18.88 59.35 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 121.191 -0.203 . . . . 1.28 111.117 -177.238 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 812' ' ' PHE . . . . . 0.561 ' HB3' ' HA ' ' A' ' 816' ' ' LYS . 77.7 m-85 -69.33 62.96 0.15 Allowed 'General case' 0 CA--C 1.53 0.177 0 CA-C-O 121.733 0.778 . . . . 0.54000000000000004 112.057 174.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 85.8 mtt180 -76.27 -27.28 56.62 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 114.925 -1.034 . . . . 4.0599999999999996 110.343 174.8 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . -90.54 51.37 3.31 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.789 -0.72 . . . . 2.0600000000000001 111.302 174.042 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 39.5 m 73.22 142.45 0.06 Allowed 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 123.553 0.741 . . . . 1.9299999999999999 111.129 -175.325 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 816' ' ' LYS . . . . . 0.561 ' HA ' ' HB3' ' A' ' 812' ' ' PHE . 13.7 mptt -76.61 59.65 1.55 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.294 0.568 . . . . 1.6599999999999999 109.822 178.424 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 817' ' ' ARG . . . . . . . . . . . . . 81.7 mtp180 -145.79 -32.22 0.37 Allowed 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.465 -0.789 . . . . 3.2000000000000002 109.11 -173.512 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 818' ' ' PHE . . . . . 0.586 ' HB3' ' HB3' ' A' ' 823' ' ' CYS . 62.6 m-85 -139.6 136.06 33.98 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 108.327 -0.99 . . . . 0.52000000000000002 108.327 177.778 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 819' ' ' CYS . . . . . 0.748 ' SG ' ' HB2' ' A' ' 800' ' ' CYS . 0.8 OUTLIER -73.23 102.1 3.55 Favored 'General case' 0 N--CA 1.445 -0.677 0 C-N-CA 119.742 -0.783 . . . . 1.3600000000000001 112.29 -170.113 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 5.3 t 87.1 -147.86 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 115.729 -0.668 . . . . 1.1799999999999999 110.214 162.538 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 821' ' ' MET . . . . . . . . . . . . . 14.3 tpt -85.19 -61.41 1.78 Allowed 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 111.973 0.361 . . . . 2.1000000000000001 111.973 -172.71 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 822' ' ' THR . . . . . . . . . . . . . 25.9 m -45.5 -44.6 12.64 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 123.547 0.739 . . . . 0.77000000000000002 112.694 177.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 823' ' ' CYS . . . . . 0.586 ' HB3' ' HB3' ' A' ' 818' ' ' PHE . 60.4 m -70.71 -41.67 71.63 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 112.58 0.585 . . . . 0.62 112.58 179.712 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 824' ' ' ALA . . . . . . . . . . . . . . . -61.54 -42.98 99.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.352 0.596 . . . . 0.32000000000000001 110.019 175.801 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 14.1 tmtt? -61.76 -37.26 83.63 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.23 -0.896 . . . . 2.6000000000000001 110.691 176.513 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 826' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' A' ' 826' ' ' ARG . 17.1 tpt180 -64.87 -33.79 76.85 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.866 -0.606 . . . . 3.5299999999999998 111.288 -173.424 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 827' ' ' TYR . . . . . . . . . . . . . 31.6 t80 -90.78 24.67 2.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.161 0.505 . . . . 1.49 111.291 -178.193 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 828' ' ' ASN . . . . . . . . . . . . . 2.1 p30 . . . . . 0 C--O 1.251 1.138 0 CA-C-O 118.773 -0.632 . . . . 3.1000000000000001 109.509 175.963 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 829' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.768 0 N-CA-C 112.243 -0.343 . . . . 12.460000000000001 112.243 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.3 p -76.2 67.47 2.48 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.385 0.612 . . . . 10.84 111.747 -178.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 12.7 ptm180 -151.32 27.19 0.68 Allowed 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.518 0.675 . . . . 12.75 109.56 177.284 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . 87.42 153.45 24.92 Favored Glycine 0 N--CA 1.445 -0.765 0 CA-C-N 115.443 -0.798 . . . . 8.5 111.277 -174.638 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 784' ' ' VAL . . . . . 0.491 HG23 ' H ' ' A' ' 786' ' ' SER . 17.0 m -111.11 3.67 8.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-O 121.024 0.44 . . . . 10.4 110.189 -179.589 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 62.14 10.45 3.74 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 115.132 -0.94 . . . . 11.27 111.702 -179.44 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 786' ' ' SER . . . . . 0.499 ' O ' ' HB2' ' A' ' 791' ' ' LEU . 64.9 m -77.21 151.85 81.51 Favored Pre-proline 0 C--N 1.324 -0.531 0 N-CA-C 109.917 -0.401 . . . . 8.9499999999999993 109.917 176.561 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 787' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 786' ' ' SER . 17.1 Cg_exo -68.03 35.82 0.17 Allowed 'Trans proline' 0 N--CA 1.478 0.575 0 C-N-CA 123.638 2.892 . . . . 11.09 114.021 -175.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 788' ' ' SER . . . . . 0.413 ' H ' ' C ' ' A' ' 786' ' ' SER . 29.4 t -105.7 -159.18 0.69 Allowed 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 108.426 -0.953 . . . . 10.449999999999999 108.426 174.798 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -59.92 -26.13 65.69 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.054 0.454 . . . . 9.0700000000000003 110.722 178.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 790' ' ' GLU . . . . . 0.742 ' HA ' ' HB2' ' A' ' 793' ' ' LYS . 19.1 mm-40 -65.13 -24.6 67.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.701 -0.681 . . . . 9.3399999999999999 112.258 -178.578 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 791' ' ' LEU . . . . . 0.499 ' HB2' ' O ' ' A' ' 786' ' ' SER . 60.5 tp -67.59 -29.66 69.07 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-O 121.591 0.71 . . . . 8.6799999999999997 110.973 -172.549 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -113.28 9.18 18.29 Favored 'General case' 0 C--N 1.309 -1.177 0 CA-C-N 114.937 -1.029 . . . . 7.0999999999999996 109.25 178.785 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 793' ' ' LYS . . . . . 0.742 ' HB2' ' HA ' ' A' ' 790' ' ' GLU . 20.5 ttpp -70.28 -19.2 63.12 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.593 -0.73 . . . . 6.2999999999999998 110.456 -175.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 60.1 mttm -69.91 -32.97 71.56 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.652 -0.704 . . . . 6.5499999999999998 110.232 -179.103 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . 66.43 -3.84 0.79 Allowed 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 115.309 -0.86 . . . . 1.5600000000000001 113.136 174.333 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 796' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -77.5 68.38 3.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.623 0.725 . . . . 1.6799999999999999 110.221 178.215 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 797' ' ' LEU . . . . . . . . . . . . . 6.7 mt -105.6 147.88 27.94 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.425 -0.807 . . . . 0.55000000000000004 110.087 -177.457 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 798' ' ' LEU . . . . . 0.466 ' C ' HD22 ' A' ' 798' ' ' LEU . 0.0 OUTLIER -147.61 176.36 10.14 Favored 'General case' 0 C--N 1.313 -1.009 0 N-CA-C 106.024 -1.843 . . . . 1.3100000000000001 106.024 173.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 799' ' ' LYS . . . . . 0.445 ' HA ' ' O ' ' A' ' 805' ' ' LYS . 0.0 OUTLIER -134.78 136.32 42.49 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 117.337 -1.745 . . . . 1.78 113.959 -171.42 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 800' ' ' CYS . . . . . 0.579 ' HB2' ' SG ' ' A' ' 819' ' ' CYS . 33.7 t -45.67 118.61 1.86 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 111.9 -2.409 . . . . 0.29999999999999999 112.753 179.297 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 801' ' ' GLU . . . . . 0.419 ' CD ' HH12 ' A' ' 817' ' ' ARG . 36.5 tt0 -61.11 -1.94 0.54 Allowed 'General case' 0 CA--C 1.542 0.673 0 N-CA-C 113.21 0.819 . . . . 2.4199999999999999 113.21 178.661 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 802' ' ' TYR . . . . . . . . . . . . . 19.9 t80 -103.09 -46.16 4.72 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 121.453 -0.779 . . . . 0.87 110.999 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 803' ' ' CYS . . . . . 0.442 ' SG ' ' HG3' ' A' ' 805' ' ' LYS . 8.0 p -115.27 -31.77 5.87 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 112.942 0.719 . . . . 0.28999999999999998 112.942 -178.784 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 96.19 27.07 10.4 Favored Glycine 0 N--CA 1.444 -0.778 0 C-N-CA 120.104 -1.046 . . . . 0.27000000000000002 112.817 177.217 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 805' ' ' LYS . . . . . 0.445 ' O ' ' HA ' ' A' ' 799' ' ' LYS . 68.8 mttm -75.91 123.73 26.18 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 110.142 -0.318 . . . . 2.3100000000000001 110.142 176.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 806' ' ' TYR . . . . . . . . . . . . . 70.8 m-85 -86.66 123.99 32.45 Favored 'General case' 0 CA--C 1.512 -0.51 0 N-CA-C 108.429 -0.952 . . . . 0.93000000000000005 108.429 176.745 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 807' ' ' ALA . . . . . 0.579 ' HB1' ' HD2' ' A' ' 808' ' ' PRO . . . -157.19 163.11 26.1 Favored Pre-proline 0 C--N 1.315 -0.892 0 CA-C-N 115.61 -0.723 . . . . 0.31 110.176 -173.049 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 808' ' ' PRO . . . . . 0.579 ' HD2' ' HB1' ' A' ' 807' ' ' ALA . 35.1 Cg_endo -65.75 132.05 29.42 Favored 'Trans proline' 0 N--CA 1.457 -0.672 0 C-N-CA 122.019 1.813 . . . . 0.56999999999999995 111.179 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 809' ' ' ALA . . . . . . . . . . . . . . . -43.91 -28.01 0.41 Allowed 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 114.917 -1.038 . . . . 0.28999999999999998 112.756 178.737 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -57.92 -36.43 72.46 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 115.538 -0.756 . . . . 2.8599999999999999 111.13 178.529 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -82.02 -27.46 33.06 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 116.033 -0.531 . . . . 1.28 109.953 -173.798 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 812' ' ' PHE . . . . . 0.5 ' O ' ' HD2' ' A' ' 816' ' ' LYS . 54.2 m-85 -68.93 57.23 0.09 Allowed 'General case' 0 C--O 1.232 0.147 0 CA-C-O 121.775 0.798 . . . . 0.54000000000000004 112.259 175.466 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 49.3 mtt180 -80.09 17.28 1.03 Allowed 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 114.87 -1.059 . . . . 4.0599999999999996 110.771 176.29 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . -91.55 36.41 3.65 Favored Glycine 0 N--CA 1.442 -0.918 0 N-CA-C 109.459 -1.456 . . . . 2.0600000000000001 109.459 163.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 20.8 m 59.37 42.37 18.15 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 123.41 0.684 . . . . 1.9299999999999999 111.943 -177.087 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 816' ' ' LYS . . . . . 0.5 ' HD2' ' O ' ' A' ' 812' ' ' PHE . 0.9 OUTLIER 53.25 56.17 7.79 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 115.478 -0.783 . . . . 1.6599999999999999 111.072 171.948 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 817' ' ' ARG . . . . . 0.419 HH12 ' CD ' ' A' ' 801' ' ' GLU . 15.3 mmm180 -143.53 -42.25 0.29 Allowed 'General case' 0 C--N 1.314 -0.968 0 N-CA-C 107.56 -1.274 . . . . 3.2000000000000002 107.56 -179.742 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 818' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -134.51 161.41 35.13 Favored 'General case' 0 N--CA 1.435 -1.223 0 CA-C-N 114.155 -1.384 . . . . 0.52000000000000002 108.361 175.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 819' ' ' CYS . . . . . 0.579 ' SG ' ' HB2' ' A' ' 800' ' ' CYS . 0.6 OUTLIER -67.88 -158.62 0.02 OUTLIER 'General case' 0 C--N 1.314 -0.961 0 N-CA-C 108.641 -0.874 . . . . 1.3600000000000001 108.641 171.9 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 19.6 p -67.84 -151.81 0.01 OUTLIER 'General case' 0 CA--C 1.553 1.086 0 CA-C-N 118.642 0.655 . . . . 1.1799999999999999 112.697 -161.793 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 821' ' ' MET . . . . . 0.446 ' HA ' ' CE ' ' A' ' 821' ' ' MET . 3.3 mmt -70.18 -48.84 55.45 Favored 'General case' 0 C--N 1.328 -0.329 0 O-C-N 121.085 -1.009 . . . . 2.1000000000000001 112.431 -159.665 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 822' ' ' THR . . . . . . . . . . . . . 8.8 m -45.61 -50.6 13.1 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 123.61 0.569 . . . . 0.77000000000000002 111.944 175.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 823' ' ' CYS . . . . . . . . . . . . . 85.3 m -71.81 -53.36 13.57 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 113.026 0.75 . . . . 0.62 113.026 -176.45 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 824' ' ' ALA . . . . . . . . . . . . . . . -56.61 -47.59 79.3 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-O 120.507 0.194 . . . . 0.32000000000000001 111.477 -179.164 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 13.6 ptmm? -64.19 -31.93 73.32 Favored 'General case' 0 CA--C 1.522 -0.124 0 CA-C-N 116.716 -0.22 . . . . 2.6000000000000001 111.12 -176.027 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 70.3 ttt180 -72.69 -23.12 60.83 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 121.277 0.56 . . . . 3.5299999999999998 110.343 -174.63 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 827' ' ' TYR . . . . . 0.4 ' O ' ' HB2' ' A' ' 828' ' ' ASN . 70.3 t80 -85.39 -13.37 49.58 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.631 -0.713 . . . . 1.49 109.296 175.755 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 828' ' ' ASN . . . . . 0.4 ' HB2' ' O ' ' A' ' 827' ' ' TYR . 6.2 m-20 . . . . . 0 C--O 1.246 0.91 0 CA-C-O 118.206 -0.902 . . . . 3.1000000000000001 110.795 177.604 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 829' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.569 0 N-CA-C 112.074 -0.41 . . . . 12.460000000000001 112.074 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 26.4 m -90.14 98.24 11.66 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 110.176 -0.305 . . . . 10.84 110.176 179.274 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.428 ' O ' ' HD2' ' A' ' 793' ' ' LYS . 79.7 ttt180 -94.74 -39.58 10.22 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.329 -0.619 . . . . 12.75 109.329 176.457 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 783' ' ' GLY . . . . . 0.737 ' HA3' ' HD3' ' A' ' 793' ' ' LYS . . . 163.74 112.32 0.27 Allowed Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.973 -0.632 . . . . 8.5 112.458 178.439 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 784' ' ' VAL . . . . . . . . . . . . . 41.2 t -97.83 89.75 2.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 110.14 -0.319 . . . . 10.4 110.14 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 37.3 t70 66.2 113.81 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.547 0 O-C-N 124.199 0.937 . . . . 11.27 111.379 -179.259 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 786' ' ' SER . . . . . . . . . . . . . 34.5 m -54.46 120.49 26.93 Favored Pre-proline 0 C--N 1.326 -0.452 0 CA-C-N 115.766 -0.652 . . . . 8.9499999999999993 111.795 -177.613 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 787' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_endo -76.11 -9.79 19.3 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.761 2.308 . . . . 11.09 112.063 178.49 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 788' ' ' SER . . . . . . . . . . . . . 70.9 m -158.13 147.9 19.89 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.38 -0.827 . . . . 10.449999999999999 108.978 179.212 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -78.31 -42.34 31.07 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.217 -0.447 . . . . 9.0700000000000003 111.375 -176.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 790' ' ' GLU . . . . . . . . . . . . . 50.2 mm-40 -84.6 -50.44 7.68 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.266 0.555 . . . . 9.3399999999999999 109.693 177.286 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 791' ' ' LEU . . . . . 0.692 HD11 ' HG2' ' A' ' 810' ' ' GLU . 92.4 mt -82.93 50.35 1.7 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.522 -0.763 . . . . 8.6799999999999997 110.176 177.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 792' ' ' ASP . . . . . 0.444 ' C ' ' H ' ' A' ' 794' ' ' LYS . 8.2 t70 -67.84 93.07 0.38 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.684 -0.689 . . . . 7.0999999999999996 110.864 -179.769 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 793' ' ' LYS . . . . . 0.737 ' HD3' ' HA3' ' A' ' 783' ' ' GLY . 35.6 mtmm 69.22 -4.85 1.19 Allowed 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.725 -0.67 . . . . 6.2999999999999998 111.645 173.615 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 794' ' ' LYS . . . . . 0.444 ' H ' ' C ' ' A' ' 792' ' ' ASP . 0.1 OUTLIER 75.71 115.7 0.06 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 114.603 -1.181 . . . . 6.5499999999999998 110.94 179.661 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -167.04 56.73 0.08 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 122.085 0.945 . . . . 1.5600000000000001 109.461 -178.001 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 796' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -158.19 59.53 0.46 Allowed 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 114.205 -1.361 . . . . 1.6799999999999999 107.538 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 797' ' ' LEU . . . . . . . . . . . . . 11.5 mt -94.8 148.69 22.03 Favored 'General case' 0 N--CA 1.441 -0.878 0 CA-C-O 121.843 0.83 . . . . 0.55000000000000004 111.502 -165.241 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 798' ' ' LEU . . . . . 0.603 HD12 ' N ' ' A' ' 799' ' ' LYS . 3.1 pp -147.32 179.9 7.32 Favored 'General case' 0 C--N 1.31 -1.118 0 N-CA-C 104.444 -2.428 . . . . 1.3100000000000001 104.444 171.039 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 799' ' ' LYS . . . . . 0.603 ' N ' HD12 ' A' ' 798' ' ' LEU . 0.1 OUTLIER -144.17 141.12 29.75 Favored 'General case' 0 C--N 1.316 -0.881 0 C-N-CA 116.332 -2.147 . . . . 1.78 115.08 -173.366 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 800' ' ' CYS . . . . . 0.544 ' HB2' ' SG ' ' A' ' 819' ' ' CYS . 47.3 t -46.02 103.05 0.03 OUTLIER 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 110.907 -2.86 . . . . 0.29999999999999999 112.41 175.036 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 801' ' ' GLU . . . . . 0.407 ' OE1' ' HE3' ' A' ' 799' ' ' LYS . 5.2 mm-40 -69.72 21.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 113.439 0.903 . . . . 2.4199999999999999 113.439 -177.733 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 802' ' ' TYR . . . . . . . . . . . . . 85.8 t80 -108.14 -51.95 2.83 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.806 0.336 . . . . 0.87 110.157 169.75 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 6.4 p -107.42 -24.32 11.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.671 -0.24 . . . . 0.28999999999999998 111.332 -177.575 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 92.36 17.27 46.83 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.653 -0.784 . . . . 0.27000000000000002 113.371 169.468 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 805' ' ' LYS . . . . . 0.457 ' O ' ' HB2' ' A' ' 799' ' ' LYS . 88.0 mttt -84.98 133.07 34.27 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.66 -0.416 . . . . 2.3100000000000001 110.969 -178.705 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 806' ' ' TYR . . . . . . . . . . . . . 67.2 m-85 -88.82 136.11 33.18 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.621 -0.718 . . . . 0.93000000000000005 110.201 -178.711 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 807' ' ' ALA . . . . . 0.631 ' HB1' ' HD2' ' A' ' 808' ' ' PRO . . . -160.84 167.11 14.18 Favored Pre-proline 0 C--N 1.321 -0.636 0 CA-C-N 114.901 -1.045 . . . . 0.31 109.712 -174.327 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 808' ' ' PRO . . . . . 0.631 ' HD2' ' HB1' ' A' ' 807' ' ' ALA . 29.8 Cg_endo -64.25 129.82 25.26 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 121.969 1.779 . . . . 0.56999999999999995 111.427 178.496 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 809' ' ' ALA . . . . . . . . . . . . . . . -45.48 -27.07 0.66 Allowed 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 115.132 -0.94 . . . . 0.28999999999999998 112.575 179.341 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 810' ' ' GLU . . . . . 0.692 ' HG2' HD11 ' A' ' 791' ' ' LEU . 2.4 tp10 -63.6 -27.78 69.48 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 114.981 -1.009 . . . . 2.8599999999999999 111.826 -179.064 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -73.02 -29.11 62.77 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.028 0.442 . . . . 1.28 109.892 -177.51 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 812' ' ' PHE . . . . . 0.899 ' HB2' ' HD3' ' A' ' 816' ' ' LYS . 43.4 m-85 -73.24 66.3 0.89 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.573 -0.74 . . . . 0.54000000000000004 111.917 -177.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 24.1 mmt180 -77.81 -36.11 50.59 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.778 -0.647 . . . . 4.0599999999999996 110.796 175.74 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 814' ' ' GLY . . . . . 0.446 ' O ' ' HB3' ' A' ' 815' ' ' SER . . . -84.25 56.72 5.04 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.725 -0.75 . . . . 2.0600000000000001 111.247 177.128 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 815' ' ' SER . . . . . 0.446 ' HB3' ' O ' ' A' ' 814' ' ' GLY . 33.6 t 76.49 141.9 0.07 Allowed 'General case' 0 CA--C 1.531 0.213 0 CA-C-O 121.528 0.68 . . . . 1.9299999999999999 110.467 -174.223 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 816' ' ' LYS . . . . . 0.899 ' HD3' ' HB2' ' A' ' 812' ' ' PHE . 4.9 tppt? -75.01 15.98 0.35 Allowed 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 115.266 -0.879 . . . . 1.6599999999999999 111.602 -173.086 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 817' ' ' ARG . . . . . 0.519 ' O ' ' HA ' ' A' ' 800' ' ' CYS . 70.6 mtm180 -95.89 -30.09 13.84 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 123.178 0.591 . . . . 3.2000000000000002 111.125 -178.867 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 818' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -136.57 140.03 42.6 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 110.351 -0.24 . . . . 0.52000000000000002 110.351 -170.752 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 819' ' ' CYS . . . . . 0.544 ' SG ' ' HB2' ' A' ' 800' ' ' CYS . 0.8 OUTLIER -72.5 100.01 2.63 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 120.803 -0.359 . . . . 1.3600000000000001 110.569 -175.098 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 8.6 t 82.5 -165.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.924 -1.139 . . . . 1.1799999999999999 107.924 168.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 821' ' ' MET . . . . . 0.636 ' O ' ' HG2' ' A' ' 825' ' ' LYS . 2.5 mpt? -91.04 -40.76 11.45 Favored 'General case' 0 C--O 1.22 -0.489 0 CA-C-N 119.775 1.171 . . . . 2.1000000000000001 113.004 -177.711 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 822' ' ' THR . . . . . . . . . . . . . 25.7 m -47.09 -44.23 21.05 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 118.475 0.579 . . . . 0.77000000000000002 111.599 175.721 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 823' ' ' CYS . . . . . 0.453 ' HB2' ' O ' ' A' ' 819' ' ' CYS . 25.7 m -73.91 -40.1 63.39 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-O 120.854 0.359 . . . . 0.62 111.684 177.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 824' ' ' ALA . . . . . . . . . . . . . . . -58.46 -41.73 85.85 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.769 -0.651 . . . . 0.32000000000000001 111.526 178.599 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 825' ' ' LYS . . . . . 0.636 ' HG2' ' O ' ' A' ' 821' ' ' MET . 13.3 mmmm -63.2 -39.08 93.62 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-O 121.958 0.885 . . . . 2.6000000000000001 110.342 179.03 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 826' ' ' ARG . . . . . 0.756 ' HA ' ' HE ' ' A' ' 826' ' ' ARG . 0.3 OUTLIER -66.36 -21.47 66.24 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 114.018 -1.446 . . . . 3.5299999999999998 110.755 -172.012 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 827' ' ' TYR . . . . . . . . . . . . . 23.5 t80 -57.96 -43.49 86.49 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.613 -0.721 . . . . 1.49 111.122 176.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 828' ' ' ASN . . . . . . . . . . . . . 23.2 p-10 . . . . . 0 C--O 1.249 1.039 0 CA-C-N 115.245 -0.888 . . . . 3.1000000000000001 110.616 -173.434 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 829' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.853 0 N-CA-C 112.142 -0.383 . . . . 12.460000000000001 112.142 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 95.2 m -75.38 114.12 13.54 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.074 0.464 . . . . 10.84 111.058 -177.117 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 82.9 mtt180 -111.48 78.89 1.15 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.716 -0.675 . . . . 12.75 109.431 175.69 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -102.08 23.51 34.28 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.749 -0.738 . . . . 8.5 112.116 -176.6 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 784' ' ' VAL . . . . . . . . . . . . . 45.0 t -116.9 93.25 2.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 109.797 -0.446 . . . . 10.4 109.797 -179.57 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 19.2 t70 61.26 79.24 0.26 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.508 -0.769 . . . . 11.27 110.741 178.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 786' ' ' SER . . . . . 0.41 ' O ' ' HB2' ' A' ' 790' ' ' GLU . 66.6 m -147.12 121.57 5.13 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 115.75 -0.659 . . . . 8.9499999999999993 110.871 -177.873 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 787' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -68.27 -24.06 38.08 Favored 'Trans proline' 0 CA--C 1.533 0.432 0 C-N-CA 122.813 2.342 . . . . 11.09 113.157 -176.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 788' ' ' SER . . . . . . . . . . . . . 70.1 m -109.66 -41.65 4.5 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.022 0.439 . . . . 10.449999999999999 110.839 177.215 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -85.2 10.37 12.52 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.554 0.575 . . . . 9.0700000000000003 112.554 -171.696 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 790' ' ' GLU . . . . . 0.41 ' HB2' ' O ' ' A' ' 786' ' ' SER . 30.5 mt-10 -117.98 13.12 13.89 Favored 'General case' 0 CA--C 1.512 -0.516 0 C-N-CA 120.966 -0.294 . . . . 9.3399999999999999 111.265 173.179 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 791' ' ' LEU . . . . . . . . . . . . . 82.6 mt -78.53 6.67 8.1 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.741 0.781 . . . . 8.6799999999999997 110.554 -177.346 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -108.17 22.23 16.24 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 114.387 -1.279 . . . . 7.0999999999999996 109.714 175.441 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 793' ' ' LYS . . . . . . . . . . . . . 26.6 ttpp -160.84 -48.91 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.736 -0.666 . . . . 6.2999999999999998 110.032 -172.672 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm -90.41 34.76 0.87 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.179 -0.464 . . . . 6.5499999999999998 111.296 178.142 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -73.29 -87.2 0.03 OUTLIER 'General case' 0 N--CA 1.444 -0.736 0 N-CA-C 109.397 -0.594 . . . . 1.5600000000000001 109.397 179.019 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 796' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 33.9 54.2 0.54 Allowed 'General case' 0 N--CA 1.468 0.464 0 O-C-N 124.444 1.09 . . . . 1.6799999999999999 111.506 178.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 797' ' ' LEU . . . . . . . . . . . . . 18.8 mt -87.36 150.88 23.54 Favored 'General case' 0 N--CA 1.441 -0.88 0 CA-C-O 121.607 0.717 . . . . 0.55000000000000004 110.532 -171.722 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 798' ' ' LEU . . . . . 0.441 ' C ' HD22 ' A' ' 798' ' ' LEU . 0.0 OUTLIER -149.94 177.0 10.25 Favored 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 105.259 -2.126 . . . . 1.3100000000000001 105.259 170.428 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 799' ' ' LYS . . . . . 0.592 ' HD3' ' CZ ' ' A' ' 806' ' ' TYR . 23.0 pttm -137.21 141.56 42.1 Favored 'General case' 0 C--N 1.317 -0.829 0 C-N-CA 117.161 -1.816 . . . . 1.78 113.29 -174.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 800' ' ' CYS . . . . . 0.521 ' HA ' ' HA ' ' A' ' 818' ' ' PHE . 36.1 t -45.95 110.54 0.27 Allowed 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 111.488 -2.596 . . . . 0.29999999999999999 111.562 174.244 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 801' ' ' GLU . . . . . 0.521 ' HB3' ' CE1' ' A' ' 818' ' ' PHE . 21.1 tt0 -61.11 0.14 0.27 Allowed 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.061 0.544 . . . . 2.4199999999999999 112.412 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 802' ' ' TYR . . . . . . . . . . . . . 66.2 t80 -98.66 -48.38 4.99 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 121.831 -0.543 . . . . 0.87 110.025 -178.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 803' ' ' CYS . . . . . 0.421 ' SG ' ' HG2' ' A' ' 805' ' ' LYS . 4.9 p -116.28 -27.02 6.97 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 113.276 0.843 . . . . 0.28999999999999998 113.276 -178.766 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 804' ' ' GLY . . . . . 0.435 ' HA2' ' HD2' ' A' ' 799' ' ' LYS . . . 96.35 19.78 27.0 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 119.835 -1.174 . . . . 0.27000000000000002 113.171 175.025 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 805' ' ' LYS . . . . . 0.421 ' HG2' ' SG ' ' A' ' 803' ' ' CYS . 2.2 mmmp? -78.09 127.18 31.92 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.795 0.298 . . . . 2.3100000000000001 110.286 179.09 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 806' ' ' TYR . . . . . 0.592 ' CZ ' ' HD3' ' A' ' 799' ' ' LYS . 96.8 m-85 -87.82 133.43 33.89 Favored 'General case' 0 CA--C 1.515 -0.388 0 N-CA-C 109.361 -0.607 . . . . 0.93000000000000005 109.361 178.747 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 807' ' ' ALA . . . . . 0.439 ' O ' ' HE1' ' A' ' 812' ' ' PHE . . . -157.51 157.39 30.0 Favored Pre-proline 0 C--N 1.318 -0.764 0 CA-C-N 115.59 -0.732 . . . . 0.31 110.047 -173.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 808' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -62.65 128.93 24.72 Favored 'Trans proline' 0 N--CA 1.459 -0.539 0 C-N-CA 122.448 2.099 . . . . 0.56999999999999995 109.737 176.088 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 809' ' ' ALA . . . . . . . . . . . . . . . -41.68 -24.69 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 114.52 1.304 . . . . 0.28999999999999998 114.52 -176.512 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -62.34 -28.42 69.74 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 111.926 0.343 . . . . 2.8599999999999999 111.926 178.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -85.45 -1.4 57.01 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.865 0.84 . . . . 1.28 109.37 -173.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 812' ' ' PHE . . . . . 0.439 ' HE1' ' O ' ' A' ' 807' ' ' ALA . 80.2 m-85 -96.53 67.61 2.44 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.137 -0.938 . . . . 0.54000000000000004 109.495 -177.087 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 10.5 mmm180 -74.45 138.11 43.05 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.242 -1.344 . . . . 4.0599999999999996 110.432 178.622 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 99.18 -41.39 2.21 Favored Glycine 0 N--CA 1.443 -0.849 0 N-CA-C 111.195 -0.762 . . . . 2.0600000000000001 111.195 -179.552 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 26.5 t -175.49 137.04 0.36 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.432 -0.581 . . . . 1.9299999999999999 109.432 178.69 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 816' ' ' LYS . . . . . 0.405 ' HA ' ' HB3' ' A' ' 812' ' ' PHE . 70.2 mmtt -76.08 55.04 0.9 Allowed 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 121.348 0.594 . . . . 1.6599999999999999 109.453 177.355 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 817' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -147.52 -30.34 0.32 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.964 -1.016 . . . . 3.2000000000000002 109.298 -172.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 818' ' ' PHE . . . . . 0.521 ' CE1' ' HB3' ' A' ' 801' ' ' GLU . 93.6 m-85 -134.13 149.0 51.05 Favored 'General case' 0 N--CA 1.436 -1.131 0 N-CA-C 107.63 -1.248 . . . . 0.52000000000000002 107.63 174.824 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 819' ' ' CYS . . . . . 0.447 ' SG ' ' HB2' ' A' ' 800' ' ' CYS . 1.4 p -68.7 -159.23 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 108.627 -0.879 . . . . 1.3600000000000001 108.627 173.62 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 15.5 p -62.64 -123.1 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 115.145 1.535 . . . . 1.1799999999999999 115.145 -157.714 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 821' ' ' MET . . . . . . . . . . . . . 4.0 mmt -84.25 -54.23 4.95 Favored 'General case' 0 C--N 1.321 -0.661 0 O-C-N 120.907 -1.12 . . . . 2.1000000000000001 111.604 -161.002 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 822' ' ' THR . . . . . . . . . . . . . 86.0 m -44.66 -55.98 4.78 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 123.878 0.736 . . . . 0.77000000000000002 111.78 177.299 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 823' ' ' CYS . . . . . . . . . . . . . 98.1 m -69.3 -53.98 16.97 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 113.632 0.975 . . . . 0.62 113.632 -172.441 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 824' ' ' ALA . . . . . . . . . . . . . . . -59.67 -43.61 93.92 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 120.96 -0.296 . . . . 0.32000000000000001 111.696 -177.718 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 54.9 pttt -71.35 -35.81 71.28 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.833 -0.347 . . . . 2.6000000000000001 111.494 -178.273 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 1.9 tpm_? -73.5 -21.18 60.48 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.026 0.441 . . . . 3.5299999999999998 110.435 -173.081 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 827' ' ' TYR . . . . . . . . . . . . . 33.9 t80 -82.85 12.2 5.13 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.271 -0.422 . . . . 1.49 110.972 -178.787 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 828' ' ' ASN . . . . . . . . . . . . . 6.6 p30 . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.255 -0.879 . . . . 3.1000000000000001 109.652 175.555 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 829' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.639 0 N-CA-C 112.323 -0.311 . . . . 12.460000000000001 112.323 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.542 ' HA ' ' HB3' ' A' ' 791' ' ' LEU . 3.7 m 58.69 52.52 6.71 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-O 121.486 0.66 . . . . 10.84 110.665 179.546 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 22.5 tpp180 -146.68 103.23 3.63 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.112 -0.494 . . . . 12.75 110.789 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -137.56 158.59 24.57 Favored Glycine 0 N--CA 1.443 -0.843 0 N-CA-C 111.107 -0.797 . . . . 8.5 111.107 175.187 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 784' ' ' VAL . . . . . . . . . . . . . 39.1 t -70.4 -67.3 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 109.701 -0.481 . . . . 10.4 109.701 179.206 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -151.22 72.94 1.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.771 -0.825 . . . . 11.27 108.771 174.017 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 786' ' ' SER . . . . . . . . . . . . . 14.6 m -113.03 120.07 41.25 Favored Pre-proline 0 C--N 1.319 -0.734 0 CA-C-N 115.641 -0.709 . . . . 8.9499999999999993 111.474 -173.066 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 787' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -83.24 -14.97 8.04 Favored 'Trans proline' 0 N--CA 1.461 -0.431 0 C-N-CA 122.855 2.37 . . . . 11.09 111.196 171.7 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 788' ' ' SER . . . . . . . . . . . . . 6.6 p -90.11 179.37 5.95 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.506 -0.77 . . . . 10.449999999999999 110.4 179.418 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -83.0 52.27 2.13 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.082 0.468 . . . . 9.0700000000000003 111.297 -176.139 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 790' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -87.95 8.75 24.87 Favored 'General case' 0 CA--C 1.516 -0.355 0 CA-C-N 116.16 -0.473 . . . . 9.3399999999999999 111.514 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 791' ' ' LEU . . . . . 0.542 ' HB3' ' HA ' ' A' ' 2' ' ' THR . 81.5 mt -79.96 7.23 9.35 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.218 0.532 . . . . 8.6799999999999997 110.565 -176.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -113.38 7.33 17.59 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.101 -0.954 . . . . 7.0999999999999996 109.783 -179.716 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 793' ' ' LYS . . . . . . . . . . . . . 50.7 mtpt -72.79 -18.94 61.43 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.329 -0.85 . . . . 6.2999999999999998 111.829 -178.139 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 794' ' ' LYS . . . . . 0.422 ' HE2' ' OD1' ' A' ' 796' ' ' ASN . 14.0 mmmm -74.36 117.43 16.16 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.415 0.626 . . . . 6.5499999999999998 110.282 -178.837 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -159.08 30.03 0.21 Allowed 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 114.95 -1.023 . . . . 1.5600000000000001 109.587 179.104 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 796' ' ' ASN . . . . . 0.422 ' OD1' ' HE2' ' A' ' 794' ' ' LYS . 0.8 OUTLIER -82.49 89.11 6.61 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.448 -1.251 . . . . 1.6799999999999999 109.375 174.685 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 797' ' ' LEU . . . . . . . . . . . . . 28.6 mt -93.08 144.66 25.05 Favored 'General case' 0 N--CA 1.44 -0.972 0 CA-C-O 121.18 0.514 . . . . 0.55000000000000004 110.716 -171.199 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 798' ' ' LEU . . . . . 0.488 HD12 ' N ' ' A' ' 799' ' ' LYS . 0.7 OUTLIER -143.0 176.47 9.06 Favored 'General case' 0 C--N 1.305 -1.362 0 N-CA-C 104.309 -2.478 . . . . 1.3100000000000001 104.309 171.341 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 799' ' ' LYS . . . . . 0.488 ' N ' HD12 ' A' ' 798' ' ' LEU . 18.6 pttp -141.54 151.67 43.43 Favored 'General case' 0 N--CA 1.438 -1.065 0 C-N-CA 116.432 -2.107 . . . . 1.78 113.891 -173.191 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 800' ' ' CYS . . . . . 0.555 ' HA ' ' HA ' ' A' ' 818' ' ' PHE . 52.6 t -51.64 100.83 0.03 OUTLIER 'General case' 0 N--CA 1.436 -1.158 0 CA-C-N 111.628 -2.533 . . . . 0.29999999999999999 110.365 172.471 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -65.43 23.79 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.392 0.516 . . . . 2.4199999999999999 112.392 178.359 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 802' ' ' TYR . . . . . 0.525 ' H ' ' C ' ' A' ' 800' ' ' CYS . 30.2 t80 -108.86 -85.11 0.54 Allowed 'General case' 0 N--CA 1.442 -0.83 0 N-CA-C 107.952 -1.129 . . . . 0.87 107.952 165.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 3.8 p -65.25 -39.28 92.47 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 113.098 0.777 . . . . 0.28999999999999998 113.098 177.498 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 804' ' ' GLY . . . . . 0.436 ' CA ' ' HD2' ' A' ' 799' ' ' LYS . . . 97.49 26.62 9.82 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.219 -0.991 . . . . 0.27000000000000002 113.189 179.05 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 805' ' ' LYS . . . . . . . . . . . . . 30.0 mtpp -84.83 128.78 34.77 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.925 0.362 . . . . 2.3100000000000001 110.198 178.377 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 806' ' ' TYR . . . . . 0.464 ' CZ ' ' HD3' ' A' ' 799' ' ' LYS . 83.3 m-85 -87.11 134.47 33.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.87 0.366 . . . . 0.93000000000000005 110.126 -178.006 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -157.53 159.61 30.66 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 115.568 -0.742 . . . . 0.31 109.754 -175.103 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 808' ' ' PRO . . . . . 0.515 ' HB2' ' HG2' ' A' ' 810' ' ' GLU . 37.3 Cg_exo -62.17 128.61 24.45 Favored 'Trans proline' 0 N--CA 1.462 -0.375 0 C-N-CA 122.12 1.88 . . . . 0.56999999999999995 111.629 178.453 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 809' ' ' ALA . . . . . . . . . . . . . . . -41.7 -27.1 0.09 Allowed 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 114.264 1.209 . . . . 0.28999999999999998 114.264 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 810' ' ' GLU . . . . . 0.515 ' HG2' ' HB2' ' A' ' 808' ' ' PRO . 1.3 pm0 -60.89 -24.93 66.35 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.297 0.481 . . . . 2.8599999999999999 112.297 179.219 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 811' ' ' GLN . . . . . 0.441 ' O ' ' HG2' ' A' ' 811' ' ' GLN . 40.3 tt0 -83.75 -5.17 59.13 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 121.464 0.649 . . . . 1.28 110.026 -177.633 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 812' ' ' PHE . . . . . 0.688 ' HB3' ' HA ' ' A' ' 816' ' ' LYS . 56.0 m-85 -96.59 48.08 1.07 Allowed 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.678 0.752 . . . . 0.54000000000000004 110.02 -171.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 65.3 mtp180 -81.65 -4.79 57.11 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.097 -0.956 . . . . 4.0599999999999996 110.792 179.388 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 814' ' ' GLY . . . . . 0.442 ' O ' ' HB2' ' A' ' 815' ' ' SER . . . -96.65 48.37 1.66 Allowed Glycine 0 N--CA 1.446 -0.649 0 N-CA-C 109.959 -1.256 . . . . 2.0600000000000001 109.959 168.765 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 815' ' ' SER . . . . . 0.442 ' HB2' ' O ' ' A' ' 814' ' ' GLY . 74.8 m 71.14 141.71 0.05 Allowed 'General case' 0 C--O 1.234 0.253 0 CA-C-O 121.525 0.679 . . . . 1.9299999999999999 110.485 -169.379 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 816' ' ' LYS . . . . . 0.688 ' HA ' ' HB3' ' A' ' 812' ' ' PHE . 33.0 mmtp -75.39 58.95 1.02 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.639 -0.71 . . . . 1.6599999999999999 110.086 -177.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 817' ' ' ARG . . . . . . . . . . . . . 29.3 mtm180 -140.86 -36.41 0.46 Allowed 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.08 -0.711 . . . . 3.2000000000000002 109.08 -173.761 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 818' ' ' PHE . . . . . 0.555 ' HA ' ' HA ' ' A' ' 800' ' ' CYS . 77.5 m-85 -133.81 159.1 41.63 Favored 'General case' 0 N--CA 1.44 -0.929 0 N-CA-C 108.829 -0.804 . . . . 0.52000000000000002 108.829 -179.706 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 819' ' ' CYS . . . . . 0.537 ' SG ' ' HB2' ' A' ' 800' ' ' CYS . 0.5 OUTLIER -68.28 -161.17 0.03 OUTLIER 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 108.864 -0.791 . . . . 1.3600000000000001 108.864 171.797 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 22.8 t -67.8 -116.67 0.0 OUTLIER 'General case' 0 CA--C 1.547 0.865 0 N-CA-C 113.19 0.811 . . . . 1.1799999999999999 113.19 -158.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 821' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -85.27 -61.54 1.74 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 120.54 -1.35 . . . . 2.1000000000000001 112.054 -166.818 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 822' ' ' THR . . . . . . . . . . . . . 10.0 m -45.93 -49.05 16.16 Favored 'General case' 0 C--N 1.32 -0.684 0 O-C-N 123.721 0.638 . . . . 0.77000000000000002 112.489 -179.037 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 823' ' ' CYS . . . . . . . . . . . . . 84.5 m -74.5 -44.75 49.91 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 114.23 1.196 . . . . 0.62 114.23 -175.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 824' ' ' ALA . . . . . 0.455 ' O ' ' HB3' ' A' ' 827' ' ' TYR . . . -60.57 -36.34 78.24 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 118.788 0.722 . . . . 0.32000000000000001 109.874 173.779 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 63.6 tttt -62.73 -39.27 93.56 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 115.748 -0.66 . . . . 2.6000000000000001 111.234 172.241 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 73.5 ttt180 -68.79 -24.22 64.38 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.232 -0.895 . . . . 3.5299999999999998 111.105 -175.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 827' ' ' TYR . . . . . 0.455 ' HB3' ' O ' ' A' ' 824' ' ' ALA . 14.3 t80 -57.67 -28.69 64.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.37 -0.832 . . . . 1.49 111.292 175.085 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 828' ' ' ASN . . . . . . . . . . . . . 71.9 m-20 . . . . . 0 C--O 1.249 1.033 0 CA-C-N 115.008 -0.997 . . . . 3.1000000000000001 109.871 -175.28 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 829' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.784 0 N-CA-C 112.382 -0.287 . . . . 12.460000000000001 112.382 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.9 t -144.14 -179.02 6.24 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.707 -0.479 . . . . 10.84 109.707 178.71 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 52.1 mtt180 -132.41 151.07 52.02 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 110.312 -0.255 . . . . 12.75 110.312 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . 80.83 161.89 26.79 Favored Glycine 0 N--CA 1.447 -0.616 0 CA-C-N 115.852 -0.613 . . . . 8.5 113.322 172.17 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 784' ' ' VAL . . . . . . . . . . . . . 58.1 t -94.96 -41.63 12.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 121.5 0.666 . . . . 10.4 109.221 176.138 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -125.75 80.35 1.89 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.111 -0.949 . . . . 11.27 109.569 175.513 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 786' ' ' SER . . . . . 0.409 ' HA ' ' HD3' ' A' ' 787' ' ' PRO . 43.4 m -135.7 121.41 13.85 Favored Pre-proline 0 C--N 1.321 -0.658 0 CA-C-N 116.122 -0.49 . . . . 8.9499999999999993 110.489 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 787' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 786' ' ' SER . 21.4 Cg_exo -66.77 -49.14 1.67 Allowed 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 123.176 2.584 . . . . 11.09 111.947 177.645 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 788' ' ' SER . . . . . 0.527 ' HB3' ' HB2' ' A' ' 791' ' ' LEU . 29.2 t -94.81 137.45 33.88 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.046 -0.525 . . . . 10.449999999999999 110.063 176.575 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -78.5 -10.88 59.89 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.834 -0.621 . . . . 9.0700000000000003 111.062 178.151 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 790' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -104.35 -40.99 5.89 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.13 0.491 . . . . 9.3399999999999999 110.437 176.181 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 791' ' ' LEU . . . . . 0.527 ' HB2' ' HB3' ' A' ' 788' ' ' SER . 3.7 mm? -93.4 57.95 2.72 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.847 -0.615 . . . . 8.6799999999999997 109.483 176.819 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -74.12 74.44 1.75 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.735 -0.666 . . . . 7.0999999999999996 111.912 -176.171 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 793' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp 70.74 -71.21 0.13 Allowed 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 115.551 -0.749 . . . . 6.2999999999999998 110.942 178.672 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 69.2 mmtt 67.61 -73.28 0.08 Allowed 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 123.534 0.734 . . . . 6.5499999999999998 112.395 175.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . 60.65 33.77 20.23 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.467 0.651 . . . . 1.5600000000000001 110.116 -171.125 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 796' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -78.67 89.32 4.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.383 -0.826 . . . . 1.6799999999999999 110.071 176.06 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 797' ' ' LEU . . . . . . . . . . . . . 18.0 mt -93.16 148.28 22.15 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.505 -0.771 . . . . 0.55000000000000004 109.967 -177.367 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 798' ' ' LEU . . . . . 0.464 ' C ' HD22 ' A' ' 798' ' ' LEU . 0.0 OUTLIER -146.94 142.22 27.33 Favored 'General case' 0 C--N 1.311 -1.078 0 N-CA-C 107.138 -1.43 . . . . 1.3100000000000001 107.138 173.558 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 799' ' ' LYS . . . . . 0.441 ' HD3' ' CZ ' ' A' ' 806' ' ' TYR . 22.1 pttm -100.26 135.61 41.43 Favored 'General case' 0 C--N 1.319 -0.741 0 C-N-CA 118.329 -1.348 . . . . 1.78 113.372 -165.875 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 800' ' ' CYS . . . . . . . . . . . . . 1.8 t -47.38 112.03 0.49 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 112.816 -1.993 . . . . 0.29999999999999999 112.051 174.487 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -68.02 21.45 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 114.121 1.156 . . . . 2.4199999999999999 114.121 -177.351 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 802' ' ' TYR . . . . . 0.4 ' HB2' ' CE1' ' A' ' 818' ' ' PHE . 59.5 t80 -110.56 -41.2 4.39 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 121.633 -0.667 . . . . 0.87 109.795 169.729 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 7.5 p -114.22 -33.22 5.73 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.41 0.522 . . . . 0.28999999999999998 112.41 -177.325 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 804' ' ' GLY . . . . . 0.414 ' C ' ' HB2' ' A' ' 799' ' ' LYS . . . 96.65 20.0 25.69 Favored Glycine 0 N--CA 1.444 -0.77 0 C-N-CA 120.383 -0.913 . . . . 0.27000000000000002 111.528 178.552 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 805' ' ' LYS . . . . . . . . . . . . . 9.8 ttmm -84.77 132.28 34.45 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.535 -0.543 . . . . 2.3100000000000001 109.535 -176.6 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 806' ' ' TYR . . . . . 0.441 ' CZ ' ' HD3' ' A' ' 799' ' ' LYS . 38.4 m-85 -85.4 131.19 34.43 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.475 0.655 . . . . 0.93000000000000005 110.319 -177.699 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -152.01 153.2 31.08 Favored Pre-proline 0 C--N 1.317 -0.821 0 CA-C-N 114.624 -1.171 . . . . 0.31 109.637 -177.277 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 808' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_exo -64.53 129.48 23.88 Favored 'Trans proline' 0 N--CA 1.455 -0.782 0 C-N-CA 122.222 1.948 . . . . 0.56999999999999995 110.839 178.151 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 809' ' ' ALA . . . . . 0.411 ' HB1' ' CE ' ' A' ' 816' ' ' LYS . . . -41.08 -26.22 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 114.108 1.151 . . . . 0.28999999999999998 114.108 179.678 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -61.9 -25.34 67.51 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.819 0.674 . . . . 2.8599999999999999 112.819 179.295 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 39.6 tt0 -83.05 -4.18 58.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.488 0.661 . . . . 1.28 109.98 -177.122 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 812' ' ' PHE . . . . . 0.598 ' HB3' ' HA ' ' A' ' 816' ' ' LYS . 18.9 m-85 -96.03 49.35 1.14 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.582 0.706 . . . . 0.54000000000000004 109.919 -171.466 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 6.2 mmp_? -80.0 139.47 36.97 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.061 -0.972 . . . . 4.0599999999999996 108.819 175.251 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 96.5 -53.51 1.51 Allowed Glycine 0 N--CA 1.446 -0.653 0 N-CA-C 111.178 -0.769 . . . . 2.0600000000000001 111.178 -174.362 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 815' ' ' SER . . . . . 0.426 ' C ' ' H ' ' A' ' 817' ' ' ARG . 77.4 p -158.02 131.9 7.93 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.735 0.302 . . . . 1.9299999999999999 110.72 177.769 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 816' ' ' LYS . . . . . 0.598 ' HA ' ' HB3' ' A' ' 812' ' ' PHE . 7.4 tptm -77.45 13.68 1.17 Allowed 'General case' 0 CA--C 1.534 0.332 0 CA-C-O 121.238 0.542 . . . . 1.6599999999999999 110.289 177.419 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 817' ' ' ARG . . . . . 0.426 ' H ' ' C ' ' A' ' 815' ' ' SER . 17.8 mtp180 -95.34 -37.12 11.11 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 123.81 0.844 . . . . 3.2000000000000002 110.527 -175.347 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 818' ' ' PHE . . . . . 0.4 ' CE1' ' HB2' ' A' ' 802' ' ' TYR . 56.0 m-85 -129.7 165.1 22.54 Favored 'General case' 0 N--CA 1.436 -1.167 0 N-CA-C 109.407 -0.59 . . . . 0.52000000000000002 109.407 -176.494 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 819' ' ' CYS . . . . . . . . . . . . . 1.2 p -68.24 -157.95 0.02 OUTLIER 'General case' 0 C--N 1.31 -1.128 0 N-CA-C 108.413 -0.958 . . . . 1.3600000000000001 108.413 168.131 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 16.2 p -68.65 -125.86 0.0 OUTLIER 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 113.283 0.846 . . . . 1.1799999999999999 113.283 -160.306 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 821' ' ' MET . . . . . 0.66 ' O ' ' HG2' ' A' ' 825' ' ' LYS . 0.3 OUTLIER -82.09 -58.86 2.78 Favored 'General case' 0 C--N 1.32 -0.692 0 O-C-N 120.566 -1.334 . . . . 2.1000000000000001 111.584 -167.164 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 822' ' ' THR . . . . . . . . . . . . . 32.3 m -45.46 -49.08 13.77 Favored 'General case' 0 C--N 1.322 -0.607 0 O-C-N 123.767 0.667 . . . . 0.77000000000000002 112.236 -177.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 823' ' ' CYS . . . . . . . . . . . . . 5.4 t -73.19 -45.96 53.33 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.453 -0.499 . . . . 0.62 112.18 -173.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 824' ' ' ALA . . . . . . . . . . . . . . . -57.64 -38.0 74.29 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 120.727 -0.389 . . . . 0.32000000000000001 110.135 175.311 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 825' ' ' LYS . . . . . 0.66 ' HG2' ' O ' ' A' ' 821' ' ' MET . 13.6 mmmm -64.78 -36.48 84.46 Favored 'General case' 0 C--N 1.341 0.214 0 CA-C-O 121.509 0.671 . . . . 2.6000000000000001 110.993 175.005 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 17.8 tpt180 -68.65 -24.52 64.55 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 114.805 -1.089 . . . . 3.5299999999999998 111.519 -174.431 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 827' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -56.8 -28.7 61.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.217 0.532 . . . . 1.49 110.526 175.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 828' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 . . . . . 0 C--O 1.246 0.909 0 CA-C-O 117.635 -1.174 . . . . 3.1000000000000001 110.342 -179.167 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 829' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.677 0 N-CA-C 111.877 -0.489 . . . . 12.460000000000001 111.877 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 22.4 m -81.33 100.46 9.22 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.864 0.364 . . . . 10.84 110.478 179.736 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 38.3 mtm180 -116.18 155.27 28.57 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.187 -0.46 . . . . 12.75 110.059 -179.452 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -74.35 100.32 1.16 Allowed Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.906 -0.664 . . . . 8.5 111.859 176.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 784' ' ' VAL . . . . . . . . . . . . . 32.9 t -128.71 78.01 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 109.092 -0.707 . . . . 10.4 109.092 177.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 51.72 40.68 28.01 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.853 -0.612 . . . . 11.27 110.7 -174.238 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 786' ' ' SER . . . . . 0.47 ' HB3' HD12 ' A' ' 791' ' ' LEU . 14.2 m -68.08 134.39 91.67 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 115.382 -0.826 . . . . 8.9499999999999993 110.279 -179.236 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 787' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 786' ' ' SER . 13.4 Cg_exo -72.27 26.18 0.26 Allowed 'Trans proline' 0 CA--C 1.536 0.59 0 C-N-CA 123.523 2.816 . . . . 11.09 113.066 -179.275 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 788' ' ' SER . . . . . 0.42 ' H ' ' C ' ' A' ' 786' ' ' SER . 25.5 t -148.4 119.67 7.82 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.271 -1.011 . . . . 10.449999999999999 108.271 177.838 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -60.52 -32.29 71.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.758 -0.655 . . . . 9.0700000000000003 111.605 -173.564 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 790' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -57.55 -24.44 56.15 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 112.082 0.401 . . . . 9.3399999999999999 112.082 -179.096 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 791' ' ' LEU . . . . . 0.47 HD12 ' HB3' ' A' ' 786' ' ' SER . 96.6 mt -83.97 15.41 3.4 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.967 0.413 . . . . 8.6799999999999997 111.494 -174.137 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 792' ' ' ASP . . . . . 0.418 ' O ' ' HB2' ' A' ' 793' ' ' LYS . 21.4 t70 -91.59 -1.06 57.62 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.557 0.694 . . . . 7.0999999999999996 109.305 175.653 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 793' ' ' LYS . . . . . 0.418 ' HB2' ' O ' ' A' ' 792' ' ' ASP . 75.3 mmtt 75.26 -69.32 0.18 Allowed 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 114.735 -1.121 . . . . 6.2999999999999998 110.986 -178.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 794' ' ' LYS . . . . . 0.672 ' HB2' HD21 ' A' ' 797' ' ' LEU . 0.1 OUTLIER -75.67 -45.67 35.72 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.247 -0.649 . . . . 6.5499999999999998 109.247 173.92 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 795' ' ' ALA . . . . . 0.424 ' H ' ' HG2' ' A' ' 794' ' ' LYS . . . 51.57 -94.77 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.145 0 N-CA-C 113.806 1.039 . . . . 1.5600000000000001 113.806 166.487 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 796' ' ' ASN . . . . . . . . . . . . . 38.2 p-10 -74.32 92.37 2.27 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.998 0.904 . . . . 1.6799999999999999 111.654 -176.107 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 797' ' ' LEU . . . . . 0.672 HD21 ' HB2' ' A' ' 794' ' ' LYS . 18.0 mt -102.93 141.11 36.28 Favored 'General case' 0 N--CA 1.438 -1.073 0 O-C-N 121.574 -0.704 . . . . 0.55000000000000004 109.289 -179.843 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 798' ' ' LEU . . . . . 0.456 ' C ' HD22 ' A' ' 798' ' ' LEU . 0.0 OUTLIER -144.72 143.22 30.59 Favored 'General case' 0 C--N 1.312 -1.05 0 N-CA-C 107.044 -1.465 . . . . 1.3100000000000001 107.044 174.677 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 799' ' ' LYS . . . . . 0.408 ' HD3' ' CZ ' ' A' ' 806' ' ' TYR . 23.2 pttm -96.07 135.37 37.95 Favored 'General case' 0 N--CA 1.446 -0.642 0 C-N-CA 118.137 -1.425 . . . . 1.78 113.408 -166.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 800' ' ' CYS . . . . . 0.521 ' HB2' ' SG ' ' A' ' 819' ' ' CYS . 46.6 t -43.44 106.21 0.06 Allowed 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 111.965 -2.38 . . . . 0.29999999999999999 111.308 170.65 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -66.46 13.31 0.05 Allowed 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 112.727 0.64 . . . . 2.4199999999999999 112.727 -176.81 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 802' ' ' TYR . . . . . 0.57 ' HD1' ' HD1' ' A' ' 827' ' ' TYR . 68.7 t80 -103.76 -46.89 4.38 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.669 -0.493 . . . . 0.87 109.669 175.554 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 6.7 p -115.92 -24.0 8.33 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 113.07 0.767 . . . . 0.28999999999999998 113.07 -179.073 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 94.52 15.89 45.06 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.093 -1.051 . . . . 0.27000000000000002 113.048 173.575 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 805' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -87.11 135.12 33.41 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 122.602 -0.352 . . . . 2.3100000000000001 110.295 -179.272 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 806' ' ' TYR . . . . . 0.408 ' CZ ' ' HD3' ' A' ' 799' ' ' LYS . 84.8 m-85 -85.48 134.33 34.05 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.072 0.463 . . . . 0.93000000000000005 110.655 -178.33 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 807' ' ' ALA . . . . . 0.425 ' HB1' ' HD2' ' A' ' 808' ' ' PRO . . . -154.93 158.01 32.05 Favored Pre-proline 0 C--N 1.321 -0.665 0 CA-C-N 114.992 -1.004 . . . . 0.31 109.819 -178.24 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 808' ' ' PRO . . . . . 0.425 ' HD2' ' HB1' ' A' ' 807' ' ' ALA . 44.0 Cg_endo -68.28 130.29 20.94 Favored 'Trans proline' 0 N--CA 1.461 -0.413 0 C-N-CA 122.391 2.061 . . . . 0.56999999999999995 111.323 -178.893 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 809' ' ' ALA . . . . . . . . . . . . . . . -44.46 -28.88 0.62 Allowed 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 115.059 -0.973 . . . . 0.28999999999999998 113.566 -179.601 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 -57.25 -33.34 67.48 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 116.043 -0.526 . . . . 2.8599999999999999 111.329 178.74 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -77.89 -26.8 49.36 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.946 -0.57 . . . . 1.28 110.215 -177.123 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 812' ' ' PHE . . . . . 0.606 ' HB3' ' HA ' ' A' ' 816' ' ' LYS . 24.0 m-85 -69.0 62.5 0.11 Allowed 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.913 0.708 . . . . 0.54000000000000004 112.913 178.4 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 6.3 mmp_? -78.4 140.1 38.73 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.399 -0.819 . . . . 4.0599999999999996 109.443 172.163 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 95.24 -58.23 1.69 Allowed Glycine 0 N--CA 1.446 -0.69 0 N-CA-C 110.881 -0.888 . . . . 2.0600000000000001 110.881 -175.132 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 815' ' ' SER . . . . . 0.629 ' HB3' ' HE ' ' A' ' 817' ' ' ARG . 65.8 m -154.07 133.8 12.96 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.589 0.233 . . . . 1.9299999999999999 110.891 176.78 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 816' ' ' LYS . . . . . 0.606 ' HA ' ' HB3' ' A' ' 812' ' ' PHE . 0.0 OUTLIER -76.0 54.44 0.84 Allowed 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.346 -0.612 . . . . 1.6599999999999999 109.346 172.781 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 817' ' ' ARG . . . . . 0.629 ' HE ' ' HB3' ' A' ' 815' ' ' SER . 70.8 mtm180 -142.94 -32.43 0.48 Allowed 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.276 -0.875 . . . . 3.2000000000000002 109.564 -172.868 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 818' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -133.95 135.73 43.72 Favored 'General case' 0 CA--C 1.516 -0.351 0 N-CA-C 109.283 -0.636 . . . . 0.52000000000000002 109.283 -177.143 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 819' ' ' CYS . . . . . 0.521 ' SG ' ' HB2' ' A' ' 800' ' ' CYS . 1.8 p -74.7 102.57 4.67 Favored 'General case' 0 N--CA 1.438 -1.058 0 C-N-CA 119.738 -0.785 . . . . 1.3600000000000001 110.656 -174.611 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 52.7 p 84.92 -154.63 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.464 1.105 . . . . 1.1799999999999999 110.164 161.294 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 821' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -81.15 -56.3 4.18 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 111.916 0.339 . . . . 2.1000000000000001 111.916 -171.497 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 822' ' ' THR . . . . . . . . . . . . . 28.2 m -44.84 -53.98 6.9 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 112.989 0.737 . . . . 0.77000000000000002 112.989 178.789 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 823' ' ' CYS . . . . . . . . . . . . . 92.0 m -68.03 -46.89 69.91 Favored 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 113.071 0.767 . . . . 0.62 113.071 -174.729 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 824' ' ' ALA . . . . . . . . . . . . . . . -60.4 -42.56 96.21 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.445 0.641 . . . . 0.32000000000000001 110.231 178.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -62.7 -45.72 91.44 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 114.961 -1.018 . . . . 2.6000000000000001 111.289 177.775 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 43.9 ttp180 -77.03 -14.36 59.84 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 116.267 -0.424 . . . . 3.5299999999999998 111.899 -168.257 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 827' ' ' TYR . . . . . 0.57 ' HD1' ' HD1' ' A' ' 802' ' ' TYR . 36.1 t80 -57.76 -43.67 85.63 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.021 0.438 . . . . 1.49 110.945 -178.316 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 828' ' ' ASN . . . . . . . . . . . . . 64.6 m-80 . . . . . 0 C--O 1.249 1.027 0 CA-C-N 114.896 -1.047 . . . . 3.1000000000000001 111.39 -178.111 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 829' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.672 0 N-CA-C 111.951 -0.46 . . . . 12.460000000000001 111.951 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 22.9 m -83.15 93.45 7.64 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.044 0.449 . . . . 10.84 110.201 179.333 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 15.7 mtp180 -94.16 100.35 12.45 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.234 -0.439 . . . . 12.75 110.768 177.706 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -115.64 -156.31 10.97 Favored Glycine 0 N--CA 1.441 -0.981 0 C-N-CA 120.737 -0.744 . . . . 8.5 112.181 179.604 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 784' ' ' VAL . . . . . . . . . . . . . 36.0 m -114.81 -168.92 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 109.566 -0.531 . . . . 10.4 109.566 177.124 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -40.06 -56.34 1.89 Allowed 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 123.107 0.563 . . . . 11.27 111.878 178.516 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 786' ' ' SER . . . . . . . . . . . . . 25.0 m -85.63 120.62 73.12 Favored Pre-proline 0 N--CA 1.449 -0.501 0 N-CA-C 109.663 -0.495 . . . . 8.9499999999999993 109.663 174.609 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 787' ' ' PRO . . . . . . . . . . . . . 8.6 Cg_exo -72.99 -7.6 20.93 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.799 2.333 . . . . 11.09 111.992 -179.211 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 788' ' ' SER . . . . . . . . . . . . . 11.6 m -84.78 1.47 46.56 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.841 -0.618 . . . . 10.449999999999999 110.921 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -68.73 -37.33 79.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.399 -0.364 . . . . 9.0700000000000003 110.852 -179.538 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 790' ' ' GLU . . . . . 0.973 ' HA ' ' HB3' ' A' ' 793' ' ' LYS . 1.8 mp0 -62.89 -25.12 68.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.473 . . . . 9.3399999999999999 111.693 -179.472 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 791' ' ' LEU . . . . . . . . . . . . . 91.5 mt -71.12 -0.06 8.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.432 0.634 . . . . 8.6799999999999997 110.623 179.674 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -147.61 10.96 0.97 Allowed 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 114.933 -1.031 . . . . 7.0999999999999996 109.229 177.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 793' ' ' LYS . . . . . 0.973 ' HB3' ' HA ' ' A' ' 790' ' ' GLU . 1.7 ptmt -71.52 -41.35 69.32 Favored 'General case' 0 N--CA 1.445 -0.691 0 N-CA-C 107.516 -1.29 . . . . 6.2999999999999998 107.516 -178.066 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 794' ' ' LYS . . . . . 0.502 ' HG2' ' HG3' ' A' ' 793' ' ' LYS . 46.4 pttt -170.19 154.76 5.07 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 113.583 -1.644 . . . . 6.5499999999999998 109.494 167.406 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -168.18 31.99 0.03 OUTLIER 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 108.977 -0.749 . . . . 1.5600000000000001 108.977 -179.338 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 796' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -80.37 76.41 7.18 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.058 -0.974 . . . . 1.6799999999999999 110.24 -177.819 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 797' ' ' LEU . . . . . . . . . . . . . 36.9 mt -95.46 144.91 25.57 Favored 'General case' 0 N--CA 1.437 -1.098 0 CA-C-O 121.175 0.512 . . . . 0.55000000000000004 109.899 -176.615 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 798' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -146.52 177.86 8.73 Favored 'General case' 0 C--N 1.308 -1.226 0 N-CA-C 105.108 -2.182 . . . . 1.3100000000000001 105.108 175.035 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 799' ' ' LYS . . . . . 0.507 ' HD2' ' O ' ' A' ' 804' ' ' GLY . 63.2 pttt -144.41 139.97 28.72 Favored 'General case' 0 N--CA 1.439 -1.012 0 C-N-CA 116.499 -2.081 . . . . 1.78 114.213 -174.231 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 800' ' ' CYS . . . . . 0.591 ' HB2' ' SG ' ' A' ' 819' ' ' CYS . 6.4 t -36.57 111.99 0.17 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 111.176 -2.738 . . . . 0.29999999999999999 113.4 174.52 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -56.36 -6.45 0.28 Allowed 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 115.204 -0.907 . . . . 2.4199999999999999 112.803 172.694 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 802' ' ' TYR . . . . . . . . . . . . . 60.0 t80 -102.43 -48.59 4.12 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 121.383 -0.823 . . . . 0.87 111.266 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 4.6 p -113.43 -26.98 8.08 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 112.988 0.736 . . . . 0.28999999999999998 112.988 -176.133 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 804' ' ' GLY . . . . . 0.507 ' O ' ' HD2' ' A' ' 799' ' ' LYS . . . 92.46 18.71 40.82 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 119.65 -1.262 . . . . 0.27000000000000002 112.612 172.847 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 805' ' ' LYS . . . . . . . . . . . . . 20.6 ttmt -81.15 134.89 35.71 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 120.662 0.267 . . . . 2.3100000000000001 110.32 178.539 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 806' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -86.0 137.69 32.52 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.434 -0.803 . . . . 0.93000000000000005 109.987 -179.578 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 807' ' ' ALA . . . . . 0.431 ' HB1' ' HD2' ' A' ' 808' ' ' PRO . . . -158.42 158.1 29.37 Favored Pre-proline 0 N--CA 1.441 -0.91 0 CA-C-N 115.067 -0.969 . . . . 0.31 110.49 -177.322 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 808' ' ' PRO . . . . . 0.641 ' HB2' ' CD ' ' A' ' 810' ' ' GLU . 35.7 Cg_endo -65.0 128.07 19.9 Favored 'Trans proline' 0 N--CA 1.462 -0.374 0 C-N-CA 122.737 2.291 . . . . 0.56999999999999995 110.477 176.585 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 809' ' ' ALA . . . . . . . . . . . . . . . -43.7 -31.78 0.86 Allowed 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 114.327 1.232 . . . . 0.28999999999999998 114.327 -177.176 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 810' ' ' GLU . . . . . 0.641 ' CD ' ' HB2' ' A' ' 808' ' ' PRO . 7.5 pm0 -62.26 -24.61 67.37 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 120.966 0.412 . . . . 2.8599999999999999 111.622 -179.783 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -79.06 -30.01 43.79 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-O 121.085 0.469 . . . . 1.28 110.085 -179.052 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 812' ' ' PHE . . . . . 0.761 ' HB3' ' HA ' ' A' ' 816' ' ' LYS . 61.3 m-85 -70.06 67.65 0.29 Allowed 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.63 -0.714 . . . . 0.54000000000000004 112.503 179.109 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 30.1 mtm180 -75.36 -0.35 19.54 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.347 -0.842 . . . . 4.0599999999999996 110.169 175.449 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . -94.73 46.82 2.09 Favored Glycine 0 N--CA 1.446 -0.64 0 N-CA-C 111.342 -0.703 . . . . 2.0600000000000001 111.342 172.578 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 8.5 m 58.89 32.27 22.08 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 123.038 0.535 . . . . 1.9299999999999999 112.267 177.303 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 816' ' ' LYS . . . . . 0.761 ' HA ' ' HB3' ' A' ' 812' ' ' PHE . 95.6 mttt 54.46 49.14 18.99 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 121.613 0.72 . . . . 1.6599999999999999 111.725 170.157 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 817' ' ' ARG . . . . . . . . . . . . . 34.2 mmt180 -140.02 -34.67 0.54 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.827 -1.079 . . . . 3.2000000000000002 108.346 178.069 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 818' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -133.05 136.33 45.89 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.399 -0.819 . . . . 0.52000000000000002 108.911 175.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 819' ' ' CYS . . . . . 0.591 ' SG ' ' HB2' ' A' ' 800' ' ' CYS . 1.6 p -75.14 104.28 5.65 Favored 'General case' 0 N--CA 1.441 -0.88 0 C-N-CA 120.606 -0.438 . . . . 1.3600000000000001 111.453 -173.292 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 22.9 t 87.41 -154.9 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 122.906 0.482 . . . . 1.1799999999999999 110.129 162.093 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 821' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -84.54 -62.54 1.53 Allowed 'General case' 0 N--CA 1.466 0.368 0 O-C-N 122.203 -0.311 . . . . 2.1000000000000001 111.749 -174.433 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 822' ' ' THR . . . . . 0.568 ' O ' ' HB2' ' A' ' 826' ' ' ARG . 1.4 m -44.89 -44.14 9.41 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 123.988 0.915 . . . . 0.77000000000000002 112.913 178.823 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 823' ' ' CYS . . . . . 0.512 ' HB2' ' O ' ' A' ' 819' ' ' CYS . 97.3 m -74.67 -42.96 57.51 Favored 'General case' 0 C--N 1.313 -1.016 0 N-CA-C 112.806 0.669 . . . . 0.62 112.806 -178.821 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 824' ' ' ALA . . . . . . . . . . . . . . . -61.03 -44.54 97.25 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 121.119 -0.232 . . . . 0.32000000000000001 111.144 178.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 825' ' ' LYS . . . . . 0.503 ' HG3' ' O ' ' A' ' 822' ' ' THR . 0.0 OUTLIER -66.2 -31.4 72.21 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 121.813 0.816 . . . . 2.6000000000000001 110.063 179.611 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 826' ' ' ARG . . . . . 0.568 ' HB2' ' O ' ' A' ' 822' ' ' THR . 62.8 ttt180 -68.75 -22.68 64.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 114.388 -1.278 . . . . 3.5299999999999998 111.377 -174.384 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 827' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -57.09 -32.2 66.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.502 -0.772 . . . . 1.49 112.203 179.646 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 828' ' ' ASN . . . . . . . . . . . . . 32.0 m-80 . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.331 -0.842 . . . . 3.1000000000000001 111.305 -172.55 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 829' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.586 0 N-CA-C 111.906 -0.477 . . . . 12.460000000000001 111.906 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 53.3 m -87.55 124.77 33.84 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.095 0.474 . . . . 10.84 111.014 -177.134 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 93.3 mtt180 -121.16 89.64 3.17 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.997 -0.547 . . . . 12.75 110.923 179.694 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 783' ' ' GLY . . . . . 0.706 ' HA2' ' HB1' ' A' ' 789' ' ' ALA . . . -79.13 78.74 1.68 Allowed Glycine 0 N--CA 1.445 -0.758 0 N-CA-C 111.147 -0.781 . . . . 8.5 111.147 176.596 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 784' ' ' VAL . . . . . . . . . . . . . 15.6 m -87.95 46.84 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 121.093 0.473 . . . . 10.4 111.414 -175.295 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 53.86 52.36 13.13 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 115.484 -0.78 . . . . 11.27 110.966 178.267 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 786' ' ' SER . . . . . 0.501 ' O ' ' HG3' ' A' ' 790' ' ' GLU . 15.1 m -117.36 140.26 27.09 Favored Pre-proline 0 C--N 1.319 -0.756 0 CA-C-N 115.322 -0.854 . . . . 8.9499999999999993 109.508 178.87 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 787' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -38.0 -43.21 1.58 Allowed 'Trans proline' 0 C--N 1.349 0.585 0 C-N-CA 123.804 3.003 . . . . 11.09 113.224 -176.69 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 788' ' ' SER . . . . . 0.412 ' O ' ' HG ' ' A' ' 791' ' ' LEU . 52.7 m -77.89 -46.54 21.06 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.02 0.438 . . . . 10.449999999999999 111.389 179.136 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 789' ' ' ALA . . . . . 0.706 ' HB1' ' HA2' ' A' ' 783' ' ' GLY . . . -85.0 6.29 25.82 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.665 0.617 . . . . 9.0700000000000003 112.665 -170.69 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 790' ' ' GLU . . . . . 0.501 ' HG3' ' O ' ' A' ' 786' ' ' SER . 41.1 mt-10 -78.09 -22.34 49.1 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.684 -0.407 . . . . 9.3399999999999999 110.865 177.518 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 791' ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' A' ' 788' ' ' SER . 4.6 pp -75.34 -11.98 60.17 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.787 0.803 . . . . 8.6799999999999997 109.349 175.367 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -99.03 -8.65 25.01 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.446 -1.252 . . . . 7.0999999999999996 109.213 175.031 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 793' ' ' LYS . . . . . 0.457 ' HB3' ' O ' ' A' ' 790' ' ' GLU . 55.6 tttp -73.22 -35.35 66.28 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 114.798 -1.092 . . . . 6.2999999999999998 110.009 -178.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -75.63 -71.32 0.38 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.495 -0.775 . . . . 6.5499999999999998 110.2 179.207 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . 45.5 35.21 1.9 Allowed 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 112.487 0.551 . . . . 1.5600000000000001 112.487 -178.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 796' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -83.34 51.96 2.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.213 0.53 . . . . 1.6799999999999999 109.699 174.226 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 797' ' ' LEU . . . . . . . . . . . . . 16.0 mt -90.03 149.13 22.66 Favored 'General case' 0 N--CA 1.444 -0.767 0 CA-C-O 121.448 0.642 . . . . 0.55000000000000004 111.024 -168.654 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 798' ' ' LEU . . . . . 0.426 ' C ' HD22 ' A' ' 798' ' ' LEU . 0.0 OUTLIER -148.53 165.52 30.97 Favored 'General case' 0 C--N 1.31 -1.14 0 N-CA-C 105.398 -2.075 . . . . 1.3100000000000001 105.398 171.293 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 799' ' ' LYS . . . . . 0.666 ' HD3' ' CZ ' ' A' ' 806' ' ' TYR . 63.2 pttt -123.23 139.04 54.46 Favored 'General case' 0 C--N 1.32 -0.674 0 C-N-CA 117.188 -1.805 . . . . 1.78 113.619 -167.686 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 800' ' ' CYS . . . . . 0.411 ' C ' ' H ' ' A' ' 802' ' ' TYR . 17.4 t -47.14 103.82 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 112.01 -2.359 . . . . 0.29999999999999999 111.203 172.716 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -67.4 19.92 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 113.404 0.89 . . . . 2.4199999999999999 113.404 -176.611 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 802' ' ' TYR . . . . . 0.411 ' H ' ' C ' ' A' ' 800' ' ' CYS . 42.4 t80 -106.95 -41.0 5.31 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.738 -0.467 . . . . 0.87 109.738 172.886 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 5.4 p -116.37 -33.96 4.77 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 115.907 -0.588 . . . . 0.28999999999999998 112.361 179.717 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 99.96 22.09 12.71 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.407 -0.901 . . . . 0.27000000000000002 113.176 176.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 805' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp -82.98 129.44 35.03 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 117.349 0.574 . . . . 2.3100000000000001 110.863 -179.18 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 806' ' ' TYR . . . . . 0.666 ' CZ ' ' HD3' ' A' ' 799' ' ' LYS . 98.4 m-85 -87.04 126.63 34.87 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.451 -0.574 . . . . 0.93000000000000005 109.451 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 807' ' ' ALA . . . . . 0.505 ' HB1' ' HD2' ' A' ' 808' ' ' PRO . . . -153.32 161.27 29.55 Favored Pre-proline 0 C--N 1.318 -0.792 0 CA-C-N 115.39 -0.823 . . . . 0.31 109.613 -174.708 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 808' ' ' PRO . . . . . 0.682 ' HB2' ' HG2' ' A' ' 810' ' ' GLU . 35.8 Cg_endo -67.91 129.23 19.23 Favored 'Trans proline' 0 N--CA 1.458 -0.559 0 C-N-CA 121.976 1.784 . . . . 0.56999999999999995 111.131 -178.072 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 809' ' ' ALA . . . . . . . . . . . . . . . -44.07 -26.5 0.3 Allowed 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 113.783 1.031 . . . . 0.28999999999999998 113.783 -178.541 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 810' ' ' GLU . . . . . 0.682 ' HG2' ' HB2' ' A' ' 808' ' ' PRO . 11.0 pt-20 -60.38 -26.74 66.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.953 0.406 . . . . 2.8599999999999999 111.654 179.739 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -82.14 -28.73 32.0 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.157 -0.474 . . . . 1.28 109.883 -176.088 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 812' ' ' PHE . . . . . 0.705 ' HB3' ' HA ' ' A' ' 816' ' ' LYS . 12.2 m-85 -68.89 63.43 0.12 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.249 -0.887 . . . . 0.54000000000000004 111.87 176.715 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 75.4 mtt180 -78.0 137.94 38.56 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 114.387 -1.278 . . . . 4.0599999999999996 110.696 177.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 96.92 -66.7 0.92 Allowed Glycine 0 N--CA 1.442 -0.944 0 N-CA-C 110.436 -1.066 . . . . 2.0600000000000001 110.436 -170.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 70.5 m -150.18 135.28 17.86 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 110.681 -0.118 . . . . 1.9299999999999999 110.681 177.367 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 816' ' ' LYS . . . . . 0.705 ' HA ' ' HB3' ' A' ' 812' ' ' PHE . 1.0 OUTLIER -75.62 67.66 2.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.564 0.697 . . . . 1.6599999999999999 109.911 174.799 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 817' ' ' ARG . . . . . . . . . . . . . 82.9 mtp180 -145.07 -34.8 0.34 Allowed 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.061 -0.972 . . . . 3.2000000000000002 108.91 -175.756 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 818' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -135.65 155.41 50.47 Favored 'General case' 0 N--CA 1.442 -0.845 0 N-CA-C 108.431 -0.952 . . . . 0.52000000000000002 108.431 178.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 819' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -68.57 -159.48 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.033 -0.729 . . . . 1.3600000000000001 109.033 172.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 33.2 p -64.66 -116.94 0.0 OUTLIER 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 114.258 1.207 . . . . 1.1799999999999999 114.258 -157.145 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 821' ' ' MET . . . . . . . . . . . . . 1.6 mmt -85.76 -62.0 1.63 Allowed 'General case' 0 C--N 1.321 -0.632 0 O-C-N 120.931 -1.106 . . . . 2.1000000000000001 111.635 -165.552 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 822' ' ' THR . . . . . 0.489 ' O ' ' HB2' ' A' ' 826' ' ' ARG . 3.7 m -45.77 -50.48 13.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 123.764 0.665 . . . . 0.77000000000000002 112.568 -179.232 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 823' ' ' CYS . . . . . . . . . . . . . 57.3 m -71.11 -49.81 40.31 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 113.767 1.025 . . . . 0.62 113.767 -176.072 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 824' ' ' ALA . . . . . . . . . . . . . . . -60.26 -44.51 95.22 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 120.4 -0.52 . . . . 0.32000000000000001 110.768 178.4 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 825' ' ' LYS . . . . . 0.436 ' HE3' ' HB2' ' A' ' 825' ' ' LYS . 0.0 OUTLIER -67.52 -26.14 66.19 Favored 'General case' 0 C--O 1.227 -0.095 0 C-N-CA 120.851 -0.339 . . . . 2.6000000000000001 110.873 178.739 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 826' ' ' ARG . . . . . 0.489 ' HB2' ' O ' ' A' ' 822' ' ' THR . 24.8 tpp180 -66.64 -31.71 72.57 Favored 'General case' 0 CA--C 1.521 -0.166 0 CA-C-O 121.235 0.54 . . . . 3.5299999999999998 110.514 -176.859 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 827' ' ' TYR . . . . . . . . . . . . . 29.8 t80 -84.25 -21.78 31.02 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.578 -0.737 . . . . 1.49 109.855 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 828' ' ' ASN . . . . . . . . . . . . . 35.4 m-80 . . . . . 0 C--O 1.251 1.18 0 CA-C-O 118.685 -0.674 . . . . 3.1000000000000001 111.098 177.62 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 829' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.762 0 N-CA-C 111.965 -0.454 . . . . 12.460000000000001 111.965 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.5 t -113.32 75.01 0.89 Allowed 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.807 0.813 . . . . 10.84 110.036 177.675 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 20.1 ttp180 56.0 50.6 13.48 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.016 -0.993 . . . . 12.75 109.128 -173.018 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . 122.34 157.07 9.84 Favored Glycine 0 N--CA 1.443 -0.848 0 CA-C-N 114.493 -1.23 . . . . 8.5 111.202 -175.715 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 784' ' ' VAL . . . . . . . . . . . . . 4.1 p -129.9 -44.12 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 121.074 0.464 . . . . 10.4 110.706 179.613 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -100.85 143.94 30.39 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.854 -0.795 . . . . 11.27 108.854 174.501 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 786' ' ' SER . . . . . . . . . . . . . 50.9 m -151.04 119.43 3.46 Favored Pre-proline 0 C--N 1.324 -0.505 0 C-N-CA 120.594 -0.442 . . . . 8.9499999999999993 112.08 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 787' ' ' PRO . . . . . 0.521 ' HG2' ' OD2' ' A' ' 792' ' ' ASP . 2.6 Cg_exo -81.98 -17.74 7.99 Favored 'Trans proline' 0 N--CA 1.462 -0.35 0 C-N-CA 123.33 2.687 . . . . 11.09 110.776 166.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 788' ' ' SER . . . . . 0.599 ' HB3' ' CB ' ' A' ' 792' ' ' ASP . 29.9 t -140.12 145.22 37.31 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-N 115.292 -0.867 . . . . 10.449999999999999 109.425 176.273 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -53.31 -58.03 8.51 Favored 'General case' 0 C--N 1.328 -0.364 0 O-C-N 123.474 0.484 . . . . 9.0700000000000003 111.981 -173.039 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 790' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -116.57 -40.87 3.15 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.786 0.327 . . . . 9.3399999999999999 111.795 -175.205 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 791' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -71.65 -46.62 58.43 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 113.154 0.798 . . . . 8.6799999999999997 113.154 -166.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 792' ' ' ASP . . . . . 0.599 ' CB ' ' HB3' ' A' ' 788' ' ' SER . 10.1 t70 -91.62 73.11 5.91 Favored 'General case' 0 C--N 1.304 -1.395 0 CA-C-O 122.335 1.064 . . . . 7.0999999999999996 110.718 -170.223 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 793' ' ' LYS . . . . . . . . . . . . . 26.5 mtmm -164.47 -43.9 0.03 OUTLIER 'General case' 0 C--N 1.313 -1.006 0 CA-C-N 112.879 -1.964 . . . . 6.2999999999999998 106.069 174.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -81.49 -78.65 0.18 Allowed 'General case' 0 N--CA 1.437 -1.124 0 CA-C-N 113.713 -1.585 . . . . 6.5499999999999998 109.722 170.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . 27.13 67.57 0.07 Allowed 'General case' 0 N--CA 1.471 0.621 0 O-C-N 124.179 0.925 . . . . 1.5600000000000001 112.664 -176.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 796' ' ' ASN . . . . . . . . . . . . . 26.4 p-10 -157.11 105.29 2.13 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 108.135 -1.061 . . . . 1.6799999999999999 108.135 -176.376 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 797' ' ' LEU . . . . . . . . . . . . . 11.1 mt -104.76 144.57 31.56 Favored 'General case' 0 N--CA 1.435 -1.213 0 CA-C-O 121.699 0.761 . . . . 0.55000000000000004 111.076 -169.284 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 798' ' ' LEU . . . . . 0.463 ' H ' HD23 ' A' ' 798' ' ' LEU . 1.7 pt? -145.29 -177.02 5.34 Favored 'General case' 0 C--N 1.304 -1.371 0 N-CA-C 104.786 -2.301 . . . . 1.3100000000000001 104.786 174.052 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 799' ' ' LYS . . . . . 0.979 ' HD3' ' HA2' ' A' ' 804' ' ' GLY . 0.0 OUTLIER -145.86 141.55 27.97 Favored 'General case' 0 N--CA 1.437 -1.097 0 C-N-CA 116.175 -2.21 . . . . 1.78 115.435 -175.556 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 800' ' ' CYS . . . . . 0.444 ' HB2' ' SG ' ' A' ' 819' ' ' CYS . 28.0 t -45.39 104.69 0.05 OUTLIER 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 110.608 -2.996 . . . . 0.29999999999999999 111.67 175.002 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 42.6 mm-40 -64.29 12.38 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 114.035 1.124 . . . . 2.4199999999999999 114.035 -178.329 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 802' ' ' TYR . . . . . 0.433 ' HB2' ' CE1' ' A' ' 818' ' ' PHE . 35.5 t80 -104.58 -41.89 5.58 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 109.822 -0.436 . . . . 0.87 109.822 175.436 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 5.3 p -118.52 -24.84 6.65 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 113.258 0.836 . . . . 0.28999999999999998 113.258 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 804' ' ' GLY . . . . . 0.979 ' HA2' ' HD3' ' A' ' 799' ' ' LYS . . . 93.44 17.85 40.87 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 119.862 -1.161 . . . . 0.27000000000000002 112.917 175.315 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 805' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -82.38 126.75 32.54 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.747 0.308 . . . . 2.3100000000000001 110.669 -178.362 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 806' ' ' TYR . . . . . 0.423 ' HA ' ' HB3' ' A' ' 799' ' ' LYS . 64.5 m-85 -89.21 132.13 35.01 Favored 'General case' 0 CA--C 1.513 -0.469 0 CA-C-N 115.616 -0.72 . . . . 0.93000000000000005 110.151 -174.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 807' ' ' ALA . . . . . 0.666 ' HB1' ' HD2' ' A' ' 808' ' ' PRO . . . -160.63 168.3 12.06 Favored Pre-proline 0 C--N 1.317 -0.843 0 CA-C-N 114.917 -1.038 . . . . 0.31 110.118 -174.179 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 808' ' ' PRO . . . . . 0.666 ' HD2' ' HB1' ' A' ' 807' ' ' ALA . 32.4 Cg_endo -70.05 132.04 22.06 Favored 'Trans proline' 0 N--CA 1.455 -0.778 0 C-N-CA 121.654 1.57 . . . . 0.56999999999999995 111.211 -179.114 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 809' ' ' ALA . . . . . 0.417 ' O ' ' HB2' ' A' ' 812' ' ' PHE . . . -41.84 -27.84 0.13 Allowed 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 114.785 -1.098 . . . . 0.28999999999999998 113.886 178.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 26.6 tp10 -60.67 -37.56 81.98 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 112.849 0.685 . . . . 2.8599999999999999 112.849 -178.258 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 811' ' ' GLN . . . . . 0.48 ' C ' ' H ' ' A' ' 813' ' ' ARG . 2.3 pt20 -76.81 -21.39 55.16 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 109.486 -0.561 . . . . 1.28 109.486 -175.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 812' ' ' PHE . . . . . 0.6 ' HB3' ' HA ' ' A' ' 816' ' ' LYS . 7.7 m-85 -70.72 32.57 0.04 OUTLIER 'General case' 0 C--O 1.222 -0.35 0 CA-C-N 115.54 -0.755 . . . . 0.54000000000000004 112.246 173.853 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 813' ' ' ARG . . . . . 0.48 ' H ' ' C ' ' A' ' 811' ' ' GLN . 7.5 ptm180 -78.21 158.18 29.08 Favored 'General case' 0 C--N 1.309 -1.155 0 N-CA-C 109.013 -0.736 . . . . 4.0599999999999996 109.013 178.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 88.45 -30.62 5.19 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.555 -0.831 . . . . 2.0600000000000001 112.722 -173.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 9.7 t -145.03 -44.65 0.23 Allowed 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 113.062 0.764 . . . . 1.9299999999999999 113.062 -175.205 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 816' ' ' LYS . . . . . 0.6 ' HA ' ' HB3' ' A' ' 812' ' ' PHE . 24.1 ttmm 53.06 55.33 9.05 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 123.143 1.449 . . . . 1.6599999999999999 108.937 -169.756 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 817' ' ' ARG . . . . . . . . . . . . . 71.8 mtp180 -155.13 -37.19 0.09 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 112.139 -2.3 . . . . 3.2000000000000002 108.128 -177.295 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 818' ' ' PHE . . . . . 0.433 ' CE1' ' HB2' ' A' ' 802' ' ' TYR . 79.7 m-85 -133.12 170.19 15.77 Favored 'General case' 0 N--CA 1.441 -0.909 0 CA-C-N 115.004 -0.998 . . . . 0.52000000000000002 108.803 176.529 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 819' ' ' CYS . . . . . 0.444 ' SG ' ' HB2' ' A' ' 800' ' ' CYS . 0.9 OUTLIER -68.87 -158.2 0.02 OUTLIER 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 108.124 -1.065 . . . . 1.3600000000000001 108.124 166.069 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 73.9 p -69.79 -134.71 0.0 OUTLIER 'General case' 0 CA--C 1.55 0.953 0 N-CA-C 113.363 0.875 . . . . 1.1799999999999999 113.363 -161.361 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 821' ' ' MET . . . . . . . . . . . . . 32.4 mmt -75.96 -58.26 3.39 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 121.218 -0.926 . . . . 2.1000000000000001 112.432 -161.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 822' ' ' THR . . . . . . . . . . . . . 25.8 m -45.61 -49.77 13.88 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.639 0.607 . . . . 0.77000000000000002 112.639 -179.659 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 823' ' ' CYS . . . . . . . . . . . . . 87.5 m -71.24 -52.26 20.02 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 113.167 0.803 . . . . 0.62 113.167 -177.254 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 824' ' ' ALA . . . . . . . . . . . . . . . -57.66 -49.07 77.69 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-O 120.525 0.202 . . . . 0.32000000000000001 111.261 -179.744 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -64.07 -31.46 72.66 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-O 121.014 0.435 . . . . 2.6000000000000001 111.021 -177.664 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 47.6 ttt180 -71.8 -24.83 61.79 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.244 -0.434 . . . . 3.5299999999999998 111.069 -173.696 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 827' ' ' TYR . . . . . . . . . . . . . 82.2 t80 -84.4 -0.87 54.37 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-O 121.198 0.523 . . . . 1.49 111.379 -179.074 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 828' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.246 0.899 0 CA-C-O 117.925 -1.036 . . . . 3.1000000000000001 111.178 179.263 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 829' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.542 0 N-CA-C 111.167 -0.773 . . . . 12.460000000000001 111.167 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 23.2 m -75.51 88.95 2.68 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.272 0.558 . . . . 10.84 109.976 177.245 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 42.4 ttm180 -88.26 83.69 6.91 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.687 -0.688 . . . . 12.75 110.806 -175.182 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -154.79 117.63 0.8 Allowed Glycine 0 N--CA 1.444 -0.774 0 CA-C-N 115.371 -0.831 . . . . 8.5 111.766 179.345 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 784' ' ' VAL . . . . . . . . . . . . . 59.9 t -100.41 -72.38 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 109.283 -0.636 . . . . 10.4 109.283 176.631 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 785' ' ' ASP . . . . . 0.471 ' HA ' ' HD2' ' A' ' 794' ' ' LYS . 48.2 m-20 -139.62 37.98 2.03 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 107.188 -1.412 . . . . 11.27 107.188 170.504 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 786' ' ' SER . . . . . 0.536 ' O ' ' HB2' ' A' ' 790' ' ' GLU . 5.6 m -69.63 121.53 82.75 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-N 113.578 -1.646 . . . . 8.9499999999999993 112.315 -172.734 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 787' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -68.31 0.81 4.14 Favored 'Trans proline' 0 CA--C 1.529 0.27 0 C-N-CA 122.474 2.116 . . . . 11.09 110.607 170.375 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 788' ' ' SER . . . . . . . . . . . . . 15.9 m -84.09 -53.08 5.78 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 114.969 -1.014 . . . . 10.449999999999999 111.105 177.85 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -124.99 -25.55 3.86 Favored 'General case' 0 C--O 1.232 0.171 0 N-CA-C 112.156 0.428 . . . . 9.0700000000000003 112.156 -174.269 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 790' ' ' GLU . . . . . 0.536 ' HB2' ' O ' ' A' ' 786' ' ' SER . 17.5 mm-40 -77.0 -3.55 39.59 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.014 0.375 . . . . 9.3399999999999999 112.014 -176.569 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 791' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -71.78 -0.87 12.15 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.908 0.861 . . . . 8.6799999999999997 110.854 179.284 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -113.43 32.64 5.64 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 114.493 -1.231 . . . . 7.0999999999999996 108.409 176.618 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 793' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt -159.26 -38.15 0.06 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 114.095 -1.411 . . . . 6.2999999999999998 109.059 -172.791 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 794' ' ' LYS . . . . . 0.585 ' HB2' HD21 ' A' ' 797' ' ' LEU . 16.4 ptpt -153.29 151.23 29.78 Favored 'General case' 0 N--CA 1.444 -0.764 0 CA-C-N 115.414 -0.812 . . . . 6.5499999999999998 109.309 179.606 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -169.71 -39.29 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.358 0.599 . . . . 1.5600000000000001 109.967 -178.748 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 796' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -76.09 68.76 2.58 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.04 -0.982 . . . . 1.6799999999999999 109.81 172.036 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 797' ' ' LEU . . . . . 0.585 HD21 ' HB2' ' A' ' 794' ' ' LYS . 20.3 mt -97.21 146.9 24.65 Favored 'General case' 0 N--CA 1.443 -0.825 0 CA-C-N 115.49 -0.777 . . . . 0.55000000000000004 110.869 -175.545 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 798' ' ' LEU . . . . . 0.448 ' C ' HD22 ' A' ' 798' ' ' LEU . 0.0 OUTLIER -146.28 179.7 7.33 Favored 'General case' 0 C--N 1.31 -1.142 0 N-CA-C 105.444 -2.058 . . . . 1.3100000000000001 105.444 171.856 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 799' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.03 142.82 32.91 Favored 'General case' 0 C--N 1.316 -0.885 0 C-N-CA 117.406 -1.718 . . . . 1.78 113.291 -175.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 800' ' ' CYS . . . . . 0.511 ' HB2' ' SG ' ' A' ' 819' ' ' CYS . 42.6 t -46.85 114.46 0.84 Allowed 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 111.702 -2.499 . . . . 0.29999999999999999 112.237 177.53 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -61.82 3.76 0.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 113.196 0.813 . . . . 2.4199999999999999 113.196 178.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 802' ' ' TYR . . . . . . . . . . . . . 24.4 t80 -103.92 -49.09 3.72 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 121.981 -0.449 . . . . 0.87 110.331 178.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 5.5 p -113.74 -29.12 7.21 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.757 0.651 . . . . 0.28999999999999998 112.757 -178.097 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 94.74 22.25 24.11 Favored Glycine 0 C--N 1.321 -0.283 0 C-N-CA 120.178 -1.01 . . . . 0.27000000000000002 112.79 175.197 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 805' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -77.6 125.35 29.2 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 110.172 -0.307 . . . . 2.3100000000000001 110.172 178.299 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 806' ' ' TYR . . . . . . . . . . . . . 70.7 m-85 -87.47 130.79 34.56 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.183 -0.673 . . . . 0.93000000000000005 109.183 -177.73 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 807' ' ' ALA . . . . . 0.497 ' HB3' ' CE1' ' A' ' 812' ' ' PHE . . . -158.36 161.2 29.02 Favored Pre-proline 0 C--N 1.317 -0.833 0 CA-C-N 115.624 -0.717 . . . . 0.31 110.185 -173.557 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 808' ' ' PRO . . . . . 0.468 ' HD2' ' HB1' ' A' ' 807' ' ' ALA . 19.2 Cg_endo -61.24 133.94 49.44 Favored 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 122.341 2.028 . . . . 0.56999999999999995 110.964 176.577 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 809' ' ' ALA . . . . . 0.408 ' HA ' HD11 ' A' ' 798' ' ' LEU . . . -44.03 -38.03 3.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.143 -0.935 . . . . 0.28999999999999998 111.791 177.661 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -63.19 -27.85 69.65 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 114.722 -1.126 . . . . 2.8599999999999999 111.492 -178.223 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 811' ' ' GLN . . . . . 0.419 ' HB2' ' HG2' ' A' ' 808' ' ' PRO . 1.2 tm0? -79.25 -28.63 42.41 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.775 -0.648 . . . . 1.28 109.789 -177.003 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 812' ' ' PHE . . . . . 0.571 ' HB3' ' HA ' ' A' ' 816' ' ' LYS . 75.4 m-85 -71.81 71.45 0.76 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.839 -0.619 . . . . 0.54000000000000004 111.596 176.882 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 29.8 mtp180 -70.91 -5.05 27.8 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.649 -0.705 . . . . 4.0599999999999996 109.816 174.355 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . -88.99 48.73 3.5 Favored Glycine 0 N--CA 1.447 -0.626 0 N-CA-C 111.374 -0.69 . . . . 2.0600000000000001 111.374 172.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 815' ' ' SER . . . . . 0.421 ' CB ' HH21 ' A' ' 817' ' ' ARG . 9.0 t 56.24 42.13 28.39 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-O 121.352 0.596 . . . . 1.9299999999999999 111.529 177.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 816' ' ' LYS . . . . . 0.571 ' HA ' ' HB3' ' A' ' 812' ' ' PHE . 31.7 mmtp 55.58 35.51 25.33 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 114.806 -1.088 . . . . 1.6599999999999999 111.874 164.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 817' ' ' ARG . . . . . 0.423 ' O ' ' HA ' ' A' ' 800' ' ' CYS . 63.9 mtm180 -144.01 -28.77 0.51 Allowed 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.791 -0.64 . . . . 3.2000000000000002 110.01 -175.278 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 818' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -136.72 136.06 38.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.229 0.538 . . . . 0.52000000000000002 110.009 177.044 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 819' ' ' CYS . . . . . 0.547 ' O ' ' HB2' ' A' ' 823' ' ' CYS . 1.2 p -76.43 106.79 8.27 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.226 -0.897 . . . . 1.3600000000000001 111.465 -172.558 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 820' ' ' SER . . . . . 0.443 ' HB3' ' O ' ' A' ' 819' ' ' CYS . 30.8 t 89.83 -163.89 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 109.647 -0.501 . . . . 1.1799999999999999 109.647 164.08 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 821' ' ' MET . . . . . 0.667 ' O ' ' HG2' ' A' ' 825' ' ' LYS . 31.5 mmt -83.07 -59.05 2.6 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.649 0.261 . . . . 2.1000000000000001 110.456 -176.438 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 822' ' ' THR . . . . . . . . . . . . . 14.1 m -43.78 -47.17 7.97 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 123.812 0.845 . . . . 0.77000000000000002 112.938 178.17 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 823' ' ' CYS . . . . . 0.547 ' HB2' ' O ' ' A' ' 819' ' ' CYS . 91.0 m -71.11 -47.78 56.09 Favored 'General case' 0 C--N 1.314 -0.955 0 N-CA-C 111.984 0.364 . . . . 0.62 111.984 -176.494 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 824' ' ' ALA . . . . . . . . . . . . . . . -61.42 -41.74 97.65 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-O 120.891 0.377 . . . . 0.32000000000000001 110.346 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 825' ' ' LYS . . . . . 0.667 ' HG2' ' O ' ' A' ' 821' ' ' MET . 14.1 mmmm -66.94 -30.26 70.34 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-N 116.127 -0.488 . . . . 2.6000000000000001 111.851 179.561 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 66.9 ttt180 -72.43 -24.62 61.25 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.456 0.646 . . . . 3.5299999999999998 110.019 -176.531 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 827' ' ' TYR . . . . . . . . . . . . . 69.6 t80 -86.42 -51.39 6.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.288 -0.869 . . . . 1.49 109.34 174.803 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 828' ' ' ASN . . . . . . . . . . . . . 27.3 p-10 . . . . . 0 C--O 1.248 1.008 0 C-N-CA 125.176 1.391 . . . . 3.1000000000000001 113.597 179.103 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 829' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.479 0 N-CA-C 112.112 -0.395 . . . . 12.460000000000001 112.112 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.3 m 74.76 -52.6 0.68 Allowed 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.034 0.534 . . . . 10.84 111.565 176.818 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 17.7 ptm180 -136.44 36.18 2.71 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.09 0.471 . . . . 12.75 110.804 -179.193 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -78.52 72.89 2.31 Favored Glycine 0 N--CA 1.449 -0.49 0 CA-C-N 115.768 -0.651 . . . . 8.5 112.534 -179.283 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 784' ' ' VAL . . . . . . . . . . . . . 58.6 t -75.27 -56.79 7.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 121.008 0.432 . . . . 10.4 109.985 177.347 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 43.2 m-20 -121.22 88.28 2.91 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.664 -0.698 . . . . 11.27 110.207 177.477 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 786' ' ' SER . . . . . 0.463 ' HA ' ' HD3' ' A' ' 787' ' ' PRO . 47.4 m -99.05 120.91 57.27 Favored Pre-proline 0 C--N 1.321 -0.654 0 N-CA-C 109.741 -0.466 . . . . 8.9499999999999993 109.741 176.875 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 787' ' ' PRO . . . . . 0.463 ' HD3' ' HA ' ' A' ' 786' ' ' SER . 16.2 Cg_exo -68.88 -25.68 32.61 Favored 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.748 2.299 . . . . 11.09 111.998 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 788' ' ' SER . . . . . . . . . . . . . 50.6 m -130.21 147.29 51.92 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.808 -0.633 . . . . 10.449999999999999 110.019 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -89.92 -25.91 20.71 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.02 -0.536 . . . . 9.0700000000000003 111.243 -176.751 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 790' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -83.19 -63.71 1.31 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.171 -0.468 . . . . 9.3399999999999999 110.434 178.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 791' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -86.58 65.95 9.26 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.331 0.586 . . . . 8.6799999999999997 110.047 178.165 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -59.25 99.57 0.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 114.822 -1.081 . . . . 7.0999999999999996 111.775 -177.013 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 793' ' ' LYS . . . . . . . . . . . . . 60.4 tttp 71.93 -66.25 0.31 Allowed 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.218 -0.901 . . . . 6.2999999999999998 112.008 173.073 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 48.7 pttt -76.65 134.36 39.31 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-O 121.337 0.589 . . . . 6.5499999999999998 110.628 -177.359 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -164.2 30.1 0.07 Allowed 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 114.725 -1.125 . . . . 1.5600000000000001 110.957 -177.567 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 796' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -78.13 95.35 4.89 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.451 0.643 . . . . 1.6799999999999999 109.512 173.135 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 797' ' ' LEU . . . . . . . . . . . . . 43.7 mt -100.8 151.67 21.42 Favored 'General case' 0 N--CA 1.439 -1.003 0 CA-C-O 121.687 0.756 . . . . 0.55000000000000004 110.625 -173.308 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 798' ' ' LEU . . . . . 0.408 ' H ' HD23 ' A' ' 798' ' ' LEU . 1.6 pt? -149.95 -178.5 6.51 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 104.685 -2.339 . . . . 1.3100000000000001 104.685 173.218 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 799' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.06 142.57 27.57 Favored 'General case' 0 C--N 1.314 -0.969 0 C-N-CA 116.655 -2.018 . . . . 1.78 114.334 -174.503 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 800' ' ' CYS . . . . . 0.573 ' HA ' ' HA ' ' A' ' 818' ' ' PHE . 5.5 t -40.6 107.43 0.07 Allowed 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 111.54 -2.573 . . . . 0.29999999999999999 112.732 176.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -61.33 0.53 0.27 Allowed 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 123.319 0.648 . . . . 2.4199999999999999 112.344 176.077 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 802' ' ' TYR . . . . . . . . . . . . . 62.9 t80 -103.0 -48.41 4.06 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 122.063 -0.398 . . . . 0.87 110.605 178.578 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 7.7 p -115.47 -29.88 6.39 Favored 'General case' 0 N--CA 1.466 0.325 0 N-CA-C 112.68 0.622 . . . . 0.28999999999999998 112.68 -178.478 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 804' ' ' GLY . . . . . 0.475 ' H ' ' HB3' ' A' ' 800' ' ' CYS . . . 97.99 21.54 17.95 Favored Glycine 0 C--N 1.322 -0.232 0 C-N-CA 120.658 -0.782 . . . . 0.27000000000000002 113.759 172.196 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 805' ' ' LYS . . . . . 0.431 ' HA ' ' HD2' ' A' ' 805' ' ' LYS . 11.3 mmmm -81.76 131.35 35.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 117.439 0.619 . . . . 2.3100000000000001 110.265 179.81 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 806' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -84.5 131.18 34.67 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.015 -0.539 . . . . 0.93000000000000005 109.683 -177.726 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 807' ' ' ALA . . . . . 0.443 ' HB1' ' NE2' ' A' ' 811' ' ' GLN . . . -162.36 165.31 15.78 Favored Pre-proline 0 N--CA 1.445 -0.707 0 CA-C-N 115.38 -0.827 . . . . 0.31 110.204 -171.842 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 808' ' ' PRO . . . . . 0.51 ' HD2' ' OE1' ' A' ' 811' ' ' GLN . 14.7 Cg_exo -71.3 135.34 26.64 Favored 'Trans proline' 0 CA--C 1.517 -0.348 0 C-N-CA 122.683 2.255 . . . . 0.56999999999999995 111.549 -177.206 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 809' ' ' ALA . . . . . . . . . . . . . . . -45.02 -23.8 0.18 Allowed 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 115.447 -0.797 . . . . 0.28999999999999998 113.073 176.303 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -57.05 -53.43 58.22 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 114.026 1.121 . . . . 2.8599999999999999 114.026 -177.516 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 811' ' ' GLN . . . . . 0.51 ' OE1' ' HD2' ' A' ' 808' ' ' PRO . 4.1 pm0 -87.17 23.88 1.71 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 118.682 0.673 . . . . 1.28 110.7 -177.535 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 812' ' ' PHE . . . . . 0.44 ' HB3' ' HD3' ' A' ' 816' ' ' LYS . 8.4 m-85 -96.13 53.98 1.41 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.962 0.887 . . . . 0.54000000000000004 108.704 172.033 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 813' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' A' ' 813' ' ' ARG . 50.2 mtm180 -73.59 147.05 44.23 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.044 -1.435 . . . . 4.0599999999999996 111.476 179.417 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 83.14 -68.8 3.49 Favored Glycine 0 N--CA 1.448 -0.525 0 CA-C-N 115.8 -0.636 . . . . 2.0600000000000001 111.598 179.514 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 20.6 m -125.15 115.31 20.25 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 109.864 -0.421 . . . . 1.9299999999999999 109.864 178.572 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 816' ' ' LYS . . . . . 0.44 ' HD3' ' HB3' ' A' ' 812' ' ' PHE . 3.1 tppp? -75.78 56.11 0.92 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 122.064 0.935 . . . . 1.6599999999999999 108.84 176.639 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 817' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -142.28 -33.56 0.48 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 114.351 -1.295 . . . . 3.2000000000000002 109.683 -171.447 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 818' ' ' PHE . . . . . 0.573 ' HA ' ' HA ' ' A' ' 800' ' ' CYS . 21.1 m-85 -134.06 146.14 50.04 Favored 'General case' 0 CA--C 1.515 -0.38 0 N-CA-C 109.208 -0.664 . . . . 0.52000000000000002 109.208 -172.076 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 819' ' ' CYS . . . . . 0.559 ' SG ' ' HB2' ' A' ' 800' ' ' CYS . 1.6 p -74.77 101.43 4.33 Favored 'General case' 0 N--CA 1.441 -0.88 0 C-N-CA 119.572 -0.851 . . . . 1.3600000000000001 110.93 -177.801 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 20.9 t 88.11 -155.26 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.35 0.66 . . . . 1.1799999999999999 110.393 161.568 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 821' ' ' MET . . . . . 0.625 ' O ' ' HG2' ' A' ' 825' ' ' LYS . 3.1 mmt -84.21 -59.69 2.32 Favored 'General case' 0 C--O 1.223 -0.306 0 N-CA-C 112.56 0.578 . . . . 2.1000000000000001 112.56 -172.296 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 822' ' ' THR . . . . . 0.412 ' O ' ' HB2' ' A' ' 826' ' ' ARG . 13.5 m -44.88 -41.96 7.58 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 123.252 0.621 . . . . 0.77000000000000002 112.394 178.437 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 823' ' ' CYS . . . . . 0.439 ' HB3' ' HB3' ' A' ' 818' ' ' PHE . 97.1 m -72.63 -41.61 65.33 Favored 'General case' 0 C--N 1.315 -0.908 0 N-CA-C 112.216 0.45 . . . . 0.62 112.216 -179.306 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 824' ' ' ALA . . . . . . . . . . . . . . . -59.03 -44.7 91.78 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.136 0.493 . . . . 0.32000000000000001 109.74 174.004 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 825' ' ' LYS . . . . . 0.625 ' HG2' ' O ' ' A' ' 821' ' ' MET . 31.7 mmmt -62.24 -44.62 96.15 Favored 'General case' 0 N--CA 1.456 -0.126 0 CA-C-O 121.811 0.815 . . . . 2.6000000000000001 111.273 178.703 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 826' ' ' ARG . . . . . 0.412 ' HB2' ' O ' ' A' ' 822' ' ' THR . 22.8 tpt180 -66.45 -21.99 66.2 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-N 114.33 -1.305 . . . . 3.5299999999999998 110.92 -171.829 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 827' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -59.54 -27.59 66.34 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.456 -0.793 . . . . 1.49 111.178 178.778 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 828' ' ' ASN . . . . . . . . . . . . . 19.9 p-10 . . . . . 0 C--O 1.247 0.934 0 CA-C-N 115.135 -0.939 . . . . 3.1000000000000001 110.202 -173.299 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 829' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.7 0 N-CA-C 111.989 -0.444 . . . . 12.460000000000001 111.989 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 36.2 m -74.71 106.27 6.19 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 110.351 -0.24 . . . . 10.84 110.351 179.008 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 53.9 mtt180 69.1 -68.51 0.18 Allowed 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 123.416 0.686 . . . . 12.75 110.554 -176.182 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 783' ' ' GLY . . . . . 0.643 ' HA3' ' HD3' ' A' ' 793' ' ' LYS . . . 100.6 82.91 1.7 Allowed Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.952 -0.642 . . . . 8.5 112.266 -179.769 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 784' ' ' VAL . . . . . . . . . . . . . 11.9 p -123.71 128.71 74.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 120.667 0.27 . . . . 10.4 110.401 176.707 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 9.0 t70 50.52 52.37 14.98 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 121.504 0.669 . . . . 11.27 110.353 178.223 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 786' ' ' SER . . . . . 0.436 ' HA ' ' HD3' ' A' ' 787' ' ' PRO . 19.9 m -83.62 141.17 41.49 Favored Pre-proline 0 C--N 1.321 -0.643 0 CA-C-N 115.855 -0.611 . . . . 8.9499999999999993 110.598 -178.06 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 787' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 786' ' ' SER . 6.6 Cg_exo -73.95 54.13 3.04 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 123.05 2.5 . . . . 11.09 111.28 176.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 788' ' ' SER . . . . . . . . . . . . . 29.5 t -164.54 172.78 12.82 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.341 -0.985 . . . . 10.449999999999999 108.341 -177.691 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -76.44 55.64 1.02 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.242 0.544 . . . . 9.0700000000000003 110.827 179.087 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 790' ' ' GLU . . . . . 0.697 ' HB3' ' HD2' ' A' ' 793' ' ' LYS . 42.2 mt-10 -119.81 35.1 4.96 Favored 'General case' 0 CA--C 1.511 -0.553 0 CA-C-N 115.841 -0.618 . . . . 9.3399999999999999 111.144 -178.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 791' ' ' LEU . . . . . . . . . . . . . 82.8 mt -94.37 21.67 6.84 Favored 'General case' 0 C--N 1.307 -1.248 0 C-N-CA 119.624 -0.831 . . . . 8.6799999999999997 110.221 -177.124 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -118.84 4.63 11.49 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.479 -0.782 . . . . 7.0999999999999996 110.289 -178.127 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 793' ' ' LYS . . . . . 0.697 ' HD2' ' HB3' ' A' ' 790' ' ' GLU . 17.0 mtpp -71.81 -33.13 68.28 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.512 -0.921 . . . . 6.2999999999999998 108.512 177.508 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 794' ' ' LYS . . . . . 0.44 ' O ' ' HB3' ' A' ' 795' ' ' ALA . 17.9 pttm -163.31 -153.97 0.26 Allowed 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 114.055 -1.429 . . . . 6.5499999999999998 108.394 176.148 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 795' ' ' ALA . . . . . 0.44 ' HB3' ' O ' ' A' ' 794' ' ' LYS . . . 79.58 -9.37 1.46 Allowed 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.368 0.667 . . . . 1.5600000000000001 110.343 -178.42 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 796' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -76.55 111.78 12.4 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.472 -0.786 . . . . 1.6799999999999999 109.661 173.7 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 797' ' ' LEU . . . . . . . . . . . . . 21.9 mt -97.54 144.95 26.72 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 115.73 -0.668 . . . . 0.55000000000000004 110.466 -176.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 798' ' ' LEU . . . . . 0.475 ' C ' HD22 ' A' ' 798' ' ' LEU . 0.0 OUTLIER -145.64 149.3 34.23 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 106.985 -1.487 . . . . 1.3100000000000001 106.985 173.358 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 799' ' ' LYS . . . . . 0.561 ' H ' ' HD3' ' A' ' 799' ' ' LYS . 0.0 OUTLIER -109.46 135.52 50.36 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 117.489 -1.684 . . . . 1.78 113.878 -167.216 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 800' ' ' CYS . . . . . 0.683 ' HB2' ' SG ' ' A' ' 819' ' ' CYS . 43.9 t -39.07 109.45 0.11 Allowed 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 112.006 -2.361 . . . . 0.29999999999999999 112.227 171.808 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -62.62 6.0 0.1 Allowed 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 113.609 0.966 . . . . 2.4199999999999999 113.609 178.752 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 802' ' ' TYR . . . . . . . . . . . . . 26.7 t80 -105.84 -42.08 5.24 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.291 -0.563 . . . . 0.87 110.451 177.123 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 9.5 p -116.59 -31.4 5.54 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 112.933 0.716 . . . . 0.28999999999999998 112.933 -179.582 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 97.22 22.17 17.98 Favored Glycine 0 C--N 1.32 -0.336 0 C-N-CA 120.103 -1.046 . . . . 0.27000000000000002 113.126 177.581 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 805' ' ' LYS . . . . . . . . . . . . . 32.7 mmtp -81.83 128.88 34.47 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.914 0.357 . . . . 2.3100000000000001 110.27 178.778 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 806' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -88.24 128.37 35.47 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.534 -0.543 . . . . 0.93000000000000005 109.534 179.241 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -155.39 157.78 31.76 Favored Pre-proline 0 C--N 1.316 -0.849 0 CA-C-N 115.074 -0.967 . . . . 0.31 109.666 -176.161 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 808' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_exo -62.15 127.49 21.32 Favored 'Trans proline' 0 N--CA 1.456 -0.729 0 C-N-CA 122.175 1.917 . . . . 0.56999999999999995 111.265 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 809' ' ' ALA . . . . . . . . . . . . . . . -43.1 -28.43 0.28 Allowed 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 114.035 1.124 . . . . 0.28999999999999998 114.035 -178.773 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 810' ' ' GLU . . . . . 0.427 ' OE1' ' HD3' ' A' ' 794' ' ' LYS . 55.5 mt-10 -59.84 -29.66 68.42 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 120.925 0.393 . . . . 2.8599999999999999 111.864 -179.001 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -76.3 -26.14 55.55 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.222 0.534 . . . . 1.28 110.001 -175.263 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 812' ' ' PHE . . . . . 0.564 ' HB3' ' HA ' ' A' ' 816' ' ' LYS . 14.0 m-85 -70.44 69.06 0.38 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.496 -0.774 . . . . 0.54000000000000004 111.613 176.615 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 39.7 mmt180 -70.83 -40.26 72.51 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.412 -0.813 . . . . 4.0599999999999996 109.89 175.41 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . -83.27 62.04 4.68 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.862 -0.685 . . . . 2.0600000000000001 111.496 175.04 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 25.7 m 70.42 143.86 0.05 Allowed 'General case' 0 C--O 1.236 0.344 0 CA-C-O 121.415 0.626 . . . . 1.9299999999999999 111.138 -177.341 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 816' ' ' LYS . . . . . 0.564 ' HA ' ' HB3' ' A' ' 812' ' ' PHE . 35.1 mmtp -75.28 56.33 0.82 Allowed 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.703 -0.681 . . . . 1.6599999999999999 109.961 -179.545 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 817' ' ' ARG . . . . . 0.407 ' O ' ' HA ' ' A' ' 800' ' ' CYS . 51.8 mtm-85 -143.76 -29.94 0.5 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.705 -0.679 . . . . 3.2000000000000002 110.071 -175.119 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 818' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -137.63 112.42 8.92 Favored 'General case' 0 C--N 1.334 -0.093 0 CA-C-O 120.918 0.39 . . . . 0.52000000000000002 110.592 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 819' ' ' CYS . . . . . 0.683 ' SG ' ' HB2' ' A' ' 800' ' ' CYS . 1.8 p -50.2 107.75 0.18 Allowed 'General case' 0 C--O 1.221 -0.405 0 N-CA-C 114.267 1.21 . . . . 1.3600000000000001 114.267 178.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 24.8 p 89.07 -161.07 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.273 1.029 . . . . 1.1799999999999999 110.505 160.348 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 821' ' ' MET . . . . . 0.418 ' HA ' ' CE ' ' A' ' 821' ' ' MET . 14.7 mmt -85.55 -54.63 4.44 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 122.098 -0.376 . . . . 2.1000000000000001 110.822 -179.317 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 822' ' ' THR . . . . . 0.452 ' O ' ' HB2' ' A' ' 826' ' ' ARG . 51.8 m -45.5 -49.13 13.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.322 -0.854 . . . . 0.77000000000000002 112.835 177.707 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 823' ' ' CYS . . . . . 0.634 ' HB2' ' O ' ' A' ' 819' ' ' CYS . 93.1 m -73.28 -42.74 62.09 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 112.24 0.459 . . . . 0.62 112.24 -176.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 824' ' ' ALA . . . . . . . . . . . . . . . -61.93 -42.76 99.47 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.666 -0.414 . . . . 0.32000000000000001 110.845 179.694 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -69.41 -28.85 66.51 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-O 121.466 0.651 . . . . 2.6000000000000001 110.485 178.223 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 826' ' ' ARG . . . . . 0.452 ' HB2' ' O ' ' A' ' 822' ' ' THR . 8.6 tpt180 -68.12 -24.3 65.0 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 114.726 -1.124 . . . . 3.5299999999999998 111.405 -175.864 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 827' ' ' TYR . . . . . . . . . . . . . 38.7 t80 -55.96 -29.97 61.02 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 121.473 0.654 . . . . 1.49 110.911 -179.639 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 828' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 . . . . . 0 C--O 1.247 0.959 0 CA-C-N 115.128 -0.942 . . . . 3.1000000000000001 109.455 178.176 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 829' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.765 0 N-CA-C 111.833 -0.507 . . . . 12.460000000000001 111.833 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 13.7 p -75.7 144.81 41.37 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.096 0.474 . . . . 10.84 110.491 177.676 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.419 ' HB3' HD12 ' A' ' 791' ' ' LEU . 49.5 mtt180 -92.63 73.65 5.06 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.361 0.601 . . . . 12.75 110.274 -176.185 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . 73.26 -114.76 4.85 Favored Glycine 0 N--CA 1.447 -0.572 0 CA-C-N 115.332 -0.849 . . . . 8.5 111.234 -177.301 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 784' ' ' VAL . . . . . . . . . . . . . 27.1 m -100.04 11.07 6.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.367 0.603 . . . . 10.4 109.584 173.594 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 66.19 30.83 9.06 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 114.742 -1.117 . . . . 11.27 111.786 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 786' ' ' SER . . . . . 0.615 ' HB2' ' HG3' ' A' ' 790' ' ' GLU . 50.4 m -101.08 120.11 56.12 Favored Pre-proline 0 C--N 1.323 -0.575 0 N-CA-C 109.617 -0.512 . . . . 8.9499999999999993 109.617 172.22 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 787' ' ' PRO . . . . . 0.52 ' HD3' ' HA ' ' A' ' 786' ' ' SER . 2.0 Cg_endo -83.24 30.0 0.54 Allowed 'Trans proline' 0 N--CA 1.461 -0.389 0 C-N-CA 123.397 2.731 . . . . 11.09 113.064 -175.426 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 788' ' ' SER . . . . . . . . . . . . . 46.5 m -89.34 -109.2 0.08 Allowed 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.817 -0.438 . . . . 10.449999999999999 109.817 177.054 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -120.49 20.18 11.88 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 108.614 -0.884 . . . . 9.0700000000000003 108.614 171.448 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 790' ' ' GLU . . . . . 0.615 ' HG3' ' HB2' ' A' ' 786' ' ' SER . 12.2 mm-40 -76.43 -44.93 33.7 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.18 -1.373 . . . . 9.3399999999999999 111.037 -176.597 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 791' ' ' LEU . . . . . 0.764 ' H ' HD22 ' A' ' 791' ' ' LEU . 3.2 mm? -16.21 67.04 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 126.308 1.843 . . . . 8.6799999999999997 115.947 -167.6 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 792' ' ' ASP . . . . . 0.428 ' O ' ' HB3' ' A' ' 793' ' ' LYS . 27.8 t70 59.33 45.69 13.64 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 121.344 0.592 . . . . 7.0999999999999996 111.365 175.703 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 793' ' ' LYS . . . . . 0.428 ' HB3' ' O ' ' A' ' 792' ' ' ASP . 7.2 ttpm? 78.15 -61.2 0.39 Allowed 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.232 -0.895 . . . . 6.2999999999999998 111.965 172.542 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 794' ' ' LYS . . . . . 0.485 ' HG2' ' O ' ' A' ' 791' ' ' LEU . 29.8 mmtp 71.74 -39.31 0.45 Allowed 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.128 0.971 . . . . 6.5499999999999998 113.489 176.821 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 795' ' ' ALA . . . . . 0.416 ' HB3' ' O ' ' A' ' 794' ' ' LYS . . . 78.27 22.91 0.73 Allowed 'General case' 0 N--CA 1.462 0.164 0 C-N-CA 123.666 0.786 . . . . 1.5600000000000001 110.628 -179.371 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 796' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -76.14 103.47 6.2 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.526 0.679 . . . . 1.6799999999999999 110.091 176.301 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 797' ' ' LEU . . . . . . . . . . . . . 21.4 mt -92.75 149.65 21.16 Favored 'General case' 0 N--CA 1.44 -0.954 0 CA-C-N 115.74 -0.663 . . . . 0.55000000000000004 111.069 -176.363 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 798' ' ' LEU . . . . . 0.481 ' C ' HD22 ' A' ' 798' ' ' LEU . 0.0 OUTLIER -145.98 157.91 43.87 Favored 'General case' 0 C--N 1.311 -1.094 0 N-CA-C 105.453 -2.054 . . . . 1.3100000000000001 105.453 166.365 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 799' ' ' LYS . . . . . 0.663 ' HD3' ' CZ ' ' A' ' 806' ' ' TYR . 62.4 pttt -116.29 139.65 50.16 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 116.896 -1.922 . . . . 1.78 114.318 -164.817 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 800' ' ' CYS . . . . . 0.659 ' HB2' ' SG ' ' A' ' 819' ' ' CYS . 19.1 t -46.83 103.87 0.04 OUTLIER 'General case' 0 N--CA 1.444 -0.758 0 CA-C-N 111.688 -2.506 . . . . 0.29999999999999999 111.656 171.75 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -65.58 18.12 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 113.61 0.967 . . . . 2.4199999999999999 113.61 -176.683 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 802' ' ' TYR . . . . . 0.472 ' CE2' ' HG3' ' A' ' 826' ' ' ARG . 46.8 t80 -107.78 -45.63 3.97 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.957 0.408 . . . . 0.87 109.952 172.643 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 10.9 p -113.63 -24.02 9.44 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.173 -0.467 . . . . 0.28999999999999998 111.89 -177.054 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 89.12 19.36 50.8 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.365 -0.922 . . . . 0.27000000000000002 112.475 173.54 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 805' ' ' LYS . . . . . 0.407 ' HA ' ' HD3' ' A' ' 805' ' ' LYS . 33.1 mmtm -86.3 133.44 33.81 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.827 -0.434 . . . . 2.3100000000000001 109.827 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 806' ' ' TYR . . . . . 0.663 ' CZ ' ' HD3' ' A' ' 799' ' ' LYS . 98.1 m-85 -84.88 129.22 34.84 Favored 'General case' 0 CA--C 1.513 -0.48 0 CA-C-O 121.254 0.55 . . . . 0.93000000000000005 109.634 -177.216 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 807' ' ' ALA . . . . . 0.4 ' HA ' ' HD3' ' A' ' 808' ' ' PRO . . . -147.83 155.34 44.5 Favored Pre-proline 0 C--N 1.315 -0.9 0 CA-C-N 114.957 -1.019 . . . . 0.31 109.547 -174.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 808' ' ' PRO . . . . . 0.458 ' O ' ' HG3' ' A' ' 811' ' ' GLN . 11.7 Cg_exo -68.93 132.72 25.31 Favored 'Trans proline' 0 N--CA 1.458 -0.616 0 C-N-CA 122.292 1.994 . . . . 0.56999999999999995 111.461 -176.076 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 809' ' ' ALA . . . . . . . . . . . . . . . -42.34 -28.97 0.23 Allowed 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 115.023 -0.989 . . . . 0.28999999999999998 113.357 179.31 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 810' ' ' GLU . . . . . 0.417 ' O ' ' HG3' ' A' ' 813' ' ' ARG . 0.2 OUTLIER -52.33 -47.75 65.86 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 112.523 0.564 . . . . 2.8599999999999999 112.523 178.821 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 811' ' ' GLN . . . . . 0.507 HE22 ' HA ' ' A' ' 819' ' ' CYS . 0.5 OUTLIER -86.52 15.75 5.23 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 112.063 0.394 . . . . 1.28 112.063 -175.515 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 812' ' ' PHE . . . . . 0.709 ' HB3' ' HD3' ' A' ' 816' ' ' LYS . 36.0 m-85 -100.12 33.33 2.66 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.298 0.57 . . . . 0.54000000000000004 110.704 178.119 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 813' ' ' ARG . . . . . 0.417 ' HG3' ' O ' ' A' ' 810' ' ' GLU . 45.5 mtt180 -82.8 152.51 25.64 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.816 -0.629 . . . . 4.0599999999999996 110.257 179.394 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 94.56 -54.39 2.02 Favored Glycine 0 N--CA 1.443 -0.838 0 N-CA-C 110.808 -0.917 . . . . 2.0600000000000001 110.808 -169.199 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 65.1 m -158.52 121.3 3.74 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 122.532 0.333 . . . . 1.9299999999999999 110.207 176.478 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 816' ' ' LYS . . . . . 0.709 ' HD3' ' HB3' ' A' ' 812' ' ' PHE . 33.1 mmtp -76.55 63.33 2.05 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 121.132 0.491 . . . . 1.6599999999999999 110.023 178.334 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 817' ' ' ARG . . . . . . . . . . . . . 15.8 mtt180 -151.26 -32.16 0.16 Allowed 'General case' 0 C--N 1.318 -0.779 0 C-N-CA 123.651 0.78 . . . . 3.2000000000000002 110.107 -173.199 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 818' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -134.5 163.1 30.46 Favored 'General case' 0 N--CA 1.442 -0.864 0 N-CA-C 109.479 -0.563 . . . . 0.52000000000000002 109.479 -178.283 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 819' ' ' CYS . . . . . 0.659 ' SG ' ' HB2' ' A' ' 800' ' ' CYS . 0.0 OUTLIER -66.22 -161.04 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.767 -0.827 . . . . 1.3600000000000001 108.767 168.58 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 21.3 m -69.38 -119.42 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 112.906 0.706 . . . . 1.1799999999999999 112.906 -162.271 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 821' ' ' MET . . . . . 0.451 ' O ' ' HB3' ' A' ' 825' ' ' LYS . 42.7 mmm -81.49 -54.71 5.21 Favored 'General case' 0 CA--C 1.506 -0.731 0 O-C-N 120.97 -1.081 . . . . 2.1000000000000001 111.37 -170.599 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 822' ' ' THR . . . . . . . . . . . . . 1.6 m -45.95 -54.49 8.2 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 123.775 0.672 . . . . 0.77000000000000002 112.088 -178.344 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 823' ' ' CYS . . . . . . . . . . . . . 58.0 m -72.64 -44.98 61.19 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 113.064 0.764 . . . . 0.62 113.064 -174.224 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 824' ' ' ALA . . . . . . . . . . . . . . . -60.89 -41.23 95.62 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.575 -0.45 . . . . 0.32000000000000001 110.553 176.484 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 825' ' ' LYS . . . . . 0.451 ' HB3' ' O ' ' A' ' 821' ' ' MET . 57.4 tttt -62.53 -38.56 90.46 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-O 121.635 0.731 . . . . 2.6000000000000001 111.308 174.234 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 826' ' ' ARG . . . . . 0.472 ' HG3' ' CE2' ' A' ' 802' ' ' TYR . 17.4 tpp180 -68.41 -27.95 66.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 114.663 -1.153 . . . . 3.5299999999999998 111.266 -175.228 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 827' ' ' TYR . . . . . . . . . . . . . 37.5 t80 -56.34 -39.03 72.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.057 -0.52 . . . . 1.49 111.481 -179.522 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 828' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 . . . . . 0 C--O 1.248 0.999 0 CA-C-O 117.899 -1.048 . . . . 3.1000000000000001 109.839 -173.51 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 829' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.616 0 N-CA-C 112.062 -0.415 . . . . 12.460000000000001 112.062 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.3 m -127.29 36.21 4.44 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.437 0.637 . . . . 10.84 109.58 179.459 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 39.3 ptt180 -144.52 144.33 31.28 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.885 -0.598 . . . . 12.75 111.703 -172.686 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -116.79 122.02 5.35 Favored Glycine 0 N--CA 1.448 -0.503 0 N-CA-C 110.235 -1.146 . . . . 8.5 110.235 173.019 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 784' ' ' VAL . . . . . . . . . . . . . 33.7 m -98.63 -40.39 9.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 117.433 0.616 . . . . 10.4 111.715 -174.311 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -158.11 97.81 1.55 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.984 -0.747 . . . . 11.27 108.984 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 786' ' ' SER . . . . . . . . . . . . . 19.0 m -120.19 121.65 29.33 Favored Pre-proline 0 C--N 1.318 -0.77 0 CA-C-N 116.291 -0.413 . . . . 8.9499999999999993 111.001 -175.792 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 787' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_exo -67.4 -26.29 41.18 Favored 'Trans proline' 0 N--CA 1.464 -0.227 0 C-N-CA 122.802 2.335 . . . . 11.09 110.79 172.114 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 788' ' ' SER . . . . . . . . . . . . . 14.0 m -82.84 167.83 17.71 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.056 -0.975 . . . . 10.449999999999999 110.089 177.082 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -83.97 47.51 1.32 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.241 0.543 . . . . 9.0700000000000003 110.549 -178.637 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 790' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -92.28 -7.62 47.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.1 -0.5 . . . . 9.3399999999999999 111.535 -178.026 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 791' ' ' LEU . . . . . . . . . . . . . 90.5 mt -80.55 12.53 3.02 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.374 0.607 . . . . 8.6799999999999997 110.792 -177.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -132.16 6.38 4.21 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.267 -0.879 . . . . 7.0999999999999996 109.557 177.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 793' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -71.86 -38.11 70.13 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.611 -0.722 . . . . 6.2999999999999998 109.71 -178.046 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 46.9 pttt -161.08 -131.03 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 108.28 -1.007 . . . . 6.5499999999999998 108.28 174.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 795' ' ' ALA . . . . . 0.455 ' O ' ' HG ' ' A' ' 797' ' ' LEU . . . 63.22 13.84 7.26 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.959 0.409 . . . . 1.5600000000000001 111.271 -178.027 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 796' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -77.08 92.22 3.74 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.783 0.801 . . . . 1.6799999999999999 109.591 175.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 797' ' ' LEU . . . . . 0.455 ' HG ' ' O ' ' A' ' 795' ' ' ALA . 22.4 mt -94.89 152.58 18.25 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-O 121.816 0.817 . . . . 0.55000000000000004 111.724 -171.041 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 798' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -147.93 179.36 7.79 Favored 'General case' 0 C--N 1.312 -1.063 0 N-CA-C 104.699 -2.334 . . . . 1.3100000000000001 104.699 169.507 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 799' ' ' LYS . . . . . 0.447 ' HB2' ' O ' ' A' ' 805' ' ' LYS . 0.0 OUTLIER -147.28 146.18 29.65 Favored 'General case' 0 N--CA 1.442 -0.833 0 C-N-CA 116.22 -2.192 . . . . 1.78 115.226 -172.782 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 800' ' ' CYS . . . . . 0.535 ' HB2' ' SG ' ' A' ' 819' ' ' CYS . 6.9 t -41.85 104.21 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 111.319 -2.673 . . . . 0.29999999999999999 112.779 175.244 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -61.91 7.52 0.05 Allowed 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 113.171 0.804 . . . . 2.4199999999999999 113.171 174.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 802' ' ' TYR . . . . . 0.412 ' H ' ' C ' ' A' ' 800' ' ' CYS . 18.3 t80 -105.58 -46.85 4.07 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 122.078 -0.389 . . . . 0.87 110.118 177.158 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 5.5 p -117.39 -27.08 6.49 Favored 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 112.964 0.728 . . . . 0.28999999999999998 112.964 -177.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 96.52 23.53 16.06 Favored Glycine 0 CA--C 1.517 0.213 0 C-N-CA 120.469 -0.872 . . . . 0.27000000000000002 113.41 173.714 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 805' ' ' LYS . . . . . 0.447 ' O ' ' HB2' ' A' ' 799' ' ' LYS . 0.0 OUTLIER -82.27 124.44 29.95 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.832 0.316 . . . . 2.3100000000000001 110.453 178.687 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 806' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -87.54 129.06 35.22 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-O 121.1 0.476 . . . . 0.93000000000000005 109.881 -178.322 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -158.48 165.66 18.09 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-N 115.047 -0.978 . . . . 0.31 110.237 -172.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 808' ' ' PRO . . . . . . . . . . . . . 15.2 Cg_exo -68.28 130.0 20.35 Favored 'Trans proline' 0 N--CA 1.459 -0.527 0 C-N-CA 122.145 1.897 . . . . 0.56999999999999995 111.674 -178.358 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 809' ' ' ALA . . . . . . . . . . . . . . . -43.01 -27.94 0.23 Allowed 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 114.88 -1.055 . . . . 0.28999999999999998 113.509 178.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -57.41 -38.83 74.94 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.915 0.709 . . . . 2.8599999999999999 112.915 -176.809 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -74.48 -20.75 59.88 Favored 'General case' 0 C--O 1.234 0.273 0 C-N-CA 121.225 -0.19 . . . . 1.28 111.212 -176.77 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 812' ' ' PHE . . . . . 0.597 ' HB2' ' HD3' ' A' ' 816' ' ' LYS . 11.5 m-85 -70.54 60.83 0.22 Allowed 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 112.713 0.634 . . . . 0.54000000000000004 112.713 179.046 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 14.3 mmm180 -73.7 -22.19 60.0 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.492 -0.776 . . . . 4.0599999999999996 110.878 173.585 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . -97.84 58.73 1.06 Allowed Glycine 0 N--CA 1.444 -0.807 0 N-CA-C 110.793 -0.923 . . . . 2.0600000000000001 110.793 175.53 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 28.7 t 73.99 138.09 0.06 Allowed 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.502 0.668 . . . . 1.9299999999999999 110.458 -175.747 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 816' ' ' LYS . . . . . 0.597 ' HD3' ' HB2' ' A' ' 812' ' ' PHE . 30.8 mmtp -76.5 56.83 1.14 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.572 -0.74 . . . . 1.6599999999999999 109.633 179.669 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 817' ' ' ARG . . . . . . . . . . . . . 68.9 mtm180 -147.71 -29.47 0.33 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.95 -1.023 . . . . 3.2000000000000002 109.945 -174.398 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 818' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -132.62 132.83 42.9 Favored 'General case' 0 CA--C 1.516 -0.337 0 N-CA-C 109.678 -0.49 . . . . 0.52000000000000002 109.678 -179.096 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 819' ' ' CYS . . . . . 0.535 ' SG ' ' HB2' ' A' ' 800' ' ' CYS . 2.6 p -74.97 104.85 5.72 Favored 'General case' 0 N--CA 1.439 -0.984 0 C-N-CA 120.525 -0.47 . . . . 1.3600000000000001 111.0 -173.079 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 27.6 p 87.51 -154.74 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.199 0.999 . . . . 1.1799999999999999 110.248 161.787 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 821' ' ' MET . . . . . . . . . . . . . 31.3 mmt -85.29 -59.72 2.24 Favored 'General case' 0 C--N 1.328 -0.346 0 O-C-N 122.229 -0.295 . . . . 2.1000000000000001 111.34 -172.413 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 822' ' ' THR . . . . . . . . . . . . . 25.9 m -44.97 -50.28 10.69 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 123.494 0.718 . . . . 0.77000000000000002 112.822 177.546 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 823' ' ' CYS . . . . . 0.513 ' HB2' ' O ' ' A' ' 819' ' ' CYS . 72.9 m -69.77 -43.42 72.22 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 112.779 0.659 . . . . 0.62 112.779 -176.689 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 824' ' ' ALA . . . . . . . . . . . . . . . -62.03 -43.83 98.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.098 0.475 . . . . 0.32000000000000001 110.246 177.137 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 825' ' ' LYS . . . . . 0.417 ' HE2' ' HB3' ' A' ' 825' ' ' LYS . 50.6 mtpt -65.05 -30.25 71.21 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-N 115.788 -0.642 . . . . 2.6000000000000001 111.162 177.124 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 22.2 tpt180 -65.18 -28.17 69.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.303 0.573 . . . . 3.5299999999999998 110.008 -177.172 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 827' ' ' TYR . . . . . . . . . . . . . 46.3 t80 -89.4 27.67 1.41 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.538 -0.756 . . . . 1.49 110.116 177.055 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 828' ' ' ASN . . . . . . . . . . . . . 25.8 p-10 . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.574 -0.727 . . . . 3.1000000000000001 109.673 170.975 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 829' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.738 0 N-CA-C 111.665 -0.574 . . . . 12.460000000000001 111.665 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.453 ' CG2' ' HB ' ' A' ' 784' ' ' VAL . 26.4 m 58.96 65.28 1.24 Allowed 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.866 0.841 . . . . 10.84 111.085 177.58 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' A' ' 3' ' ' ARG . 5.2 ptp85 -101.98 -13.69 17.47 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.141 -0.936 . . . . 12.75 109.409 175.709 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -128.04 74.92 0.43 Allowed Glycine 0 N--CA 1.446 -0.667 0 N-CA-C 110.81 -0.916 . . . . 8.5 110.81 174.384 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 784' ' ' VAL . . . . . 0.453 ' HB ' ' CG2' ' A' ' 2' ' ' THR . 7.7 p -94.69 120.09 43.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 120.968 0.413 . . . . 10.4 110.988 -177.571 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 50.15 38.69 17.71 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.314 -0.857 . . . . 11.27 111.89 179.033 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 786' ' ' SER . . . . . . . . . . . . . 21.9 m -77.79 121.7 84.58 Favored Pre-proline 0 C--N 1.321 -0.651 0 CA-C-N 115.639 -0.71 . . . . 8.9499999999999993 110.356 178.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 787' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -57.92 -53.08 4.78 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.744 2.296 . . . . 11.09 110.538 172.151 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 788' ' ' SER . . . . . 0.484 ' O ' ' HB2' ' A' ' 792' ' ' ASP . 33.7 t -99.85 127.41 46.02 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.782 -0.821 . . . . 10.449999999999999 108.782 170.525 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -59.36 -31.3 69.08 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.653 -0.703 . . . . 9.0700000000000003 111.906 -174.496 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 790' ' ' GLU . . . . . 0.622 ' HA ' ' HB2' ' A' ' 793' ' ' LYS . 41.4 mm-40 -115.53 -37.31 4.02 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.256 0.465 . . . . 9.3399999999999999 112.256 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 791' ' ' LEU . . . . . . . . . . . . . 90.4 mt -75.13 -14.8 60.59 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-O 121.461 0.648 . . . . 8.6799999999999997 110.962 -177.467 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 792' ' ' ASP . . . . . 0.484 ' HB2' ' O ' ' A' ' 788' ' ' SER . 11.2 m-20 -118.36 19.57 13.37 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 115.141 -0.936 . . . . 7.0999999999999996 109.233 174.288 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 793' ' ' LYS . . . . . 0.622 ' HB2' ' HA ' ' A' ' 790' ' ' GLU . 29.0 tttp -72.32 -27.08 62.21 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 115.118 -0.946 . . . . 6.2999999999999998 108.637 176.721 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 30.0 mmmt -79.37 -46.11 18.25 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 114.865 -1.061 . . . . 6.5499999999999998 110.892 179.304 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . 75.53 1.59 3.64 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 115.289 -0.869 . . . . 1.5600000000000001 111.974 177.467 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 796' ' ' ASN . . . . . . . . . . . . . 37.3 p-10 -74.95 88.78 2.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.655 0.74 . . . . 1.6799999999999999 111.422 178.34 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 797' ' ' LEU . . . . . . . . . . . . . 16.8 mt -104.9 147.7 27.48 Favored 'General case' 0 N--CA 1.445 -0.678 0 O-C-N 121.763 -0.586 . . . . 0.55000000000000004 110.011 -178.006 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 798' ' ' LEU . . . . . 0.477 HD22 ' N ' ' A' ' 799' ' ' LYS . 0.0 OUTLIER -151.07 173.26 14.56 Favored 'General case' 0 C--N 1.312 -1.065 0 N-CA-C 105.84 -1.911 . . . . 1.3100000000000001 105.84 172.518 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 799' ' ' LYS . . . . . 0.551 ' HD2' ' CZ ' ' A' ' 806' ' ' TYR . 0.0 OUTLIER -131.0 144.73 51.7 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 116.896 -1.921 . . . . 1.78 114.503 -168.041 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 800' ' ' CYS . . . . . 0.449 ' C ' ' H ' ' A' ' 802' ' ' TYR . 43.7 t -47.3 112.2 0.5 Allowed 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 111.451 -2.613 . . . . 0.29999999999999999 111.595 177.289 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -62.31 13.9 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 113.089 0.774 . . . . 2.4199999999999999 113.089 176.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 802' ' ' TYR . . . . . 0.449 ' H ' ' C ' ' A' ' 800' ' ' CYS . 30.6 t80 -108.43 -88.72 0.48 Allowed 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.664 -0.865 . . . . 0.87 108.664 169.871 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 7.6 p -62.89 -42.98 99.97 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 113.124 0.787 . . . . 0.28999999999999998 113.124 176.329 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 95.52 23.78 17.93 Favored Glycine 0 C--N 1.315 -0.628 0 C-N-CA 120.072 -1.061 . . . . 0.27000000000000002 112.872 176.547 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 805' ' ' LYS . . . . . . . . . . . . . 23.6 ttpt -83.61 140.51 32.16 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.679 0.276 . . . . 2.3100000000000001 110.462 177.797 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 806' ' ' TYR . . . . . 0.551 ' CZ ' ' HD2' ' A' ' 799' ' ' LYS . 29.7 m-85 -83.88 135.06 34.64 Favored 'General case' 0 CA--C 1.515 -0.379 0 CA-C-N 115.718 -0.674 . . . . 0.93000000000000005 110.85 -176.847 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -157.68 155.3 26.73 Favored Pre-proline 0 C--N 1.317 -0.817 0 CA-C-N 115.057 -0.974 . . . . 0.31 110.328 -175.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 808' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_exo -62.67 128.12 22.52 Favored 'Trans proline' 0 N--CA 1.458 -0.597 0 C-N-CA 122.285 1.99 . . . . 0.56999999999999995 111.022 177.12 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 809' ' ' ALA . . . . . . . . . . . . . . . -44.02 -23.98 0.12 Allowed 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 113.84 1.052 . . . . 0.28999999999999998 113.84 179.664 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.44 -34.22 68.74 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 122.961 0.504 . . . . 2.8599999999999999 110.683 178.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -78.68 -25.16 44.78 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 116.133 -0.485 . . . . 1.28 110.789 -174.203 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 812' ' ' PHE . . . . . 0.417 ' HB3' ' HA ' ' A' ' 816' ' ' LYS . 3.9 m-85 -68.64 58.54 0.09 Allowed 'General case' 0 CA--C 1.531 0.239 0 CA-C-O 121.76 0.79 . . . . 0.54000000000000004 111.699 175.385 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 68.1 mtt180 -82.41 144.48 30.46 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 114.537 -1.211 . . . . 4.0599999999999996 110.087 177.742 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 91.49 -48.67 2.87 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.876 -0.678 . . . . 2.0600000000000001 111.791 -176.403 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 12.1 p -160.74 126.11 3.82 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.712 0.291 . . . . 1.9299999999999999 110.847 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 816' ' ' LYS . . . . . 0.417 ' HA ' ' HB3' ' A' ' 812' ' ' PHE . 0.5 OUTLIER -78.4 57.93 2.04 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 121.542 0.687 . . . . 1.6599999999999999 110.045 179.456 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 817' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -136.23 -34.85 0.77 Allowed 'General case' 0 C--N 1.319 -0.76 0 C-N-CA 124.001 0.92 . . . . 3.2000000000000002 109.167 -175.499 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 818' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -136.44 164.26 28.58 Favored 'General case' 0 N--CA 1.442 -0.863 0 N-CA-C 108.377 -0.971 . . . . 0.52000000000000002 108.377 -176.207 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 819' ' ' CYS . . . . . 0.4 ' SG ' ' HB2' ' A' ' 800' ' ' CYS . 1.3 p -67.21 -158.82 0.02 OUTLIER 'General case' 0 C--N 1.31 -1.121 0 N-CA-C 108.488 -0.93 . . . . 1.3600000000000001 108.488 168.664 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 48.4 p -67.26 -120.49 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 113.985 1.106 . . . . 1.1799999999999999 113.985 -158.188 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 821' ' ' MET . . . . . 0.55 ' O ' ' HG2' ' A' ' 825' ' ' LYS . 32.5 mmt -83.67 -64.58 1.14 Allowed 'General case' 0 C--N 1.319 -0.726 0 O-C-N 120.95 -1.093 . . . . 2.1000000000000001 111.836 -163.052 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 822' ' ' THR . . . . . . . . . . . . . 18.2 m -45.55 -46.09 13.88 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 112.847 0.684 . . . . 0.77000000000000002 112.847 -178.046 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 823' ' ' CYS . . . . . . . . . . . . . 86.9 m -73.52 -50.31 22.11 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 112.811 0.671 . . . . 0.62 112.811 -174.66 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 824' ' ' ALA . . . . . . . . . . . . . . . -57.75 -42.74 84.56 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-O 121.116 0.484 . . . . 0.32000000000000001 110.213 178.708 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 825' ' ' LYS . . . . . 0.55 ' HG2' ' O ' ' A' ' 821' ' ' MET . 25.9 mmmt -65.7 -39.28 91.09 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.606 -0.724 . . . . 2.6000000000000001 111.633 -179.549 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 826' ' ' ARG . . . . . 0.622 ' HA ' ' NE ' ' A' ' 826' ' ' ARG . 1.4 tpm_? -69.69 -27.47 65.03 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.796 -0.361 . . . . 3.5299999999999998 111.565 -171.055 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 827' ' ' TYR . . . . . . . . . . . . . 63.1 t80 -80.24 -20.07 45.4 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.638 -0.504 . . . . 1.49 109.638 -177.74 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 828' ' ' ASN . . . . . . . . . . . . . 26.5 m-80 . . . . . 0 C--O 1.251 1.142 0 CA-C-O 118.406 -0.807 . . . . 3.1000000000000001 110.163 176.0 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 829' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.707 0 N-CA-C 111.754 -0.539 . . . . 12.460000000000001 111.754 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 22.0 m 62.42 91.62 0.06 Allowed 'General case' 0 CA--C 1.532 0.282 0 CA-C-O 121.371 0.605 . . . . 10.84 111.739 178.517 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.426 HH11 ' HD2' ' A' ' 3' ' ' ARG . 43.9 mtm180 -109.23 -8.98 15.03 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.385 0.612 . . . . 12.75 109.978 176.523 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -143.36 -179.54 20.07 Favored Glycine 0 N--CA 1.444 -0.769 0 CA-C-N 115.502 -0.772 . . . . 8.5 111.288 177.846 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 784' ' ' VAL . . . . . 0.403 HG13 ' O ' ' A' ' 784' ' ' VAL . 4.5 p -140.7 84.18 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 121.576 0.703 . . . . 10.4 109.456 179.184 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 59.51 40.65 20.26 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.292 -0.867 . . . . 11.27 109.052 -171.732 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 786' ' ' SER . . . . . . . . . . . . . 13.8 m -107.46 127.94 26.87 Favored Pre-proline 0 N--CA 1.449 -0.485 0 CA-C-N 115.15 -0.932 . . . . 8.9499999999999993 110.857 -173.757 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 787' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -68.63 -21.85 38.77 Favored 'Trans proline' 0 C--N 1.343 0.246 0 C-N-CA 123.223 2.615 . . . . 11.09 111.66 176.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 788' ' ' SER . . . . . 0.656 ' HB3' ' HB3' ' A' ' 792' ' ' ASP . 46.1 t -128.98 162.27 27.99 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.46 -0.791 . . . . 10.449999999999999 108.948 177.132 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -61.69 -72.05 0.13 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.708 0.29 . . . . 9.0700000000000003 110.973 -177.411 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 790' ' ' GLU . . . . . 0.476 ' HA ' ' HE2' ' A' ' 793' ' ' LYS . 55.5 mt-10 -121.45 -26.62 4.95 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.039 0.385 . . . . 9.3399999999999999 112.039 -178.86 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 791' ' ' LEU . . . . . . . . . . . . . 7.8 mp -71.96 -16.75 62.09 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 121.147 0.498 . . . . 8.6799999999999997 111.904 -171.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 792' ' ' ASP . . . . . 0.656 ' HB3' ' HB3' ' A' ' 788' ' ' SER . 36.0 t70 -128.34 57.94 1.56 Allowed 'General case' 0 C--N 1.307 -1.247 0 CA-C-O 122.447 1.118 . . . . 7.0999999999999996 108.298 175.037 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 793' ' ' LYS . . . . . 0.476 ' HE2' ' HA ' ' A' ' 790' ' ' GLU . 38.9 ttpt -165.8 -39.92 0.03 OUTLIER 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 113.773 -1.558 . . . . 6.2999999999999998 107.879 -177.557 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 794' ' ' LYS . . . . . 0.447 ' HD2' ' N ' ' A' ' 794' ' ' LYS . 0.1 OUTLIER 64.17 91.41 0.08 Allowed 'General case' 0 C--O 1.234 0.279 0 CA-C-N 114.931 -1.031 . . . . 6.5499999999999998 110.445 176.889 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 795' ' ' ALA . . . . . 0.426 ' HB3' ' HE3' ' A' ' 793' ' ' LYS . . . -163.59 51.44 0.15 Allowed 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 113.789 -1.55 . . . . 1.5600000000000001 107.057 -176.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 796' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -149.17 56.75 1.0 Allowed 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 113.023 -1.899 . . . . 1.6799999999999999 106.676 -174.17 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 797' ' ' LEU . . . . . . . . . . . . . 10.2 mt -88.76 153.96 20.66 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 112.767 -2.015 . . . . 0.55000000000000004 112.247 -167.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 798' ' ' LEU . . . . . 0.463 ' C ' HD22 ' A' ' 798' ' ' LEU . 0.0 OUTLIER -145.85 142.95 29.3 Favored 'General case' 0 C--N 1.315 -0.908 0 N-CA-C 106.271 -1.751 . . . . 1.3100000000000001 106.271 166.796 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 799' ' ' LYS . . . . . 0.671 ' H ' ' HD3' ' A' ' 799' ' ' LYS . 0.0 OUTLIER -99.77 136.43 39.7 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 118.117 -1.433 . . . . 1.78 114.401 -164.581 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 800' ' ' CYS . . . . . 0.546 ' HB2' ' SG ' ' A' ' 819' ' ' CYS . 46.8 t -43.12 107.38 0.08 Allowed 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 111.885 -2.416 . . . . 0.29999999999999999 112.264 171.714 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -62.82 5.69 0.12 Allowed 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 113.115 0.784 . . . . 2.4199999999999999 113.115 -179.455 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 802' ' ' TYR . . . . . 0.447 ' HB2' ' CD1' ' A' ' 818' ' ' PHE . 37.8 t80 -103.27 -49.16 3.8 Favored 'General case' 0 C--N 1.328 -0.354 0 O-C-N 121.41 -0.806 . . . . 0.87 110.335 178.803 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 7.0 p -112.29 -20.09 11.98 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 111.865 0.32 . . . . 0.28999999999999998 111.865 -178.76 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 93.08 14.22 54.93 Favored Glycine 0 N--CA 1.445 -0.722 0 C-N-CA 120.306 -0.95 . . . . 0.27000000000000002 112.599 172.284 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 805' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -85.89 136.23 33.37 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 110.325 -0.25 . . . . 2.3100000000000001 110.325 -176.226 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 806' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -87.07 131.72 34.04 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.01 0.433 . . . . 0.93000000000000005 110.021 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -149.4 153.88 37.82 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-N 115.395 -0.82 . . . . 0.31 109.901 -177.605 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 808' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -63.0 128.6 23.41 Favored 'Trans proline' 0 N--CA 1.46 -0.449 0 C-N-CA 122.335 2.023 . . . . 0.56999999999999995 111.692 -178.049 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 809' ' ' ALA . . . . . . . . . . . . . . . -45.41 -29.52 1.11 Allowed 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 114.879 -1.055 . . . . 0.28999999999999998 113.316 -177.509 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -51.66 -37.68 51.53 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 123.385 0.674 . . . . 2.8599999999999999 111.503 178.08 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -77.89 -24.8 48.33 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.737 -0.665 . . . . 1.28 111.257 -175.348 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 812' ' ' PHE . . . . . 0.659 ' HB3' ' HA ' ' A' ' 816' ' ' LYS . 36.7 m-85 -69.81 49.84 0.1 Allowed 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 113.941 1.089 . . . . 0.54000000000000004 113.941 179.558 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 75.2 mtt180 -81.4 145.33 30.86 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.733 -0.667 . . . . 4.0599999999999996 109.407 173.041 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 94.84 -54.48 1.92 Allowed Glycine 0 N--CA 1.445 -0.727 0 N-CA-C 110.921 -0.871 . . . . 2.0600000000000001 110.921 -172.514 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 18.5 p -161.56 123.5 2.92 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.422 0.153 . . . . 1.9299999999999999 110.63 178.465 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 816' ' ' LYS . . . . . 0.659 ' HA ' ' HB3' ' A' ' 812' ' ' PHE . 96.0 mttt -78.51 64.89 3.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.694 0.759 . . . . 1.6599999999999999 109.544 177.539 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 817' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -148.03 -34.37 0.23 Allowed 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 114.52 -1.218 . . . . 3.2000000000000002 109.458 -172.449 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 818' ' ' PHE . . . . . 0.447 ' CD1' ' HB2' ' A' ' 802' ' ' TYR . 69.5 m-85 -136.75 139.81 42.12 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.189 -0.671 . . . . 0.52000000000000002 109.189 -175.116 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 819' ' ' CYS . . . . . 0.546 ' SG ' ' HB2' ' A' ' 800' ' ' CYS . 2.0 p -75.0 102.86 4.97 Favored 'General case' 0 N--CA 1.439 -1.015 0 C-N-CA 119.754 -0.778 . . . . 1.3600000000000001 111.001 -174.231 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 820' ' ' SER . . . . . 0.424 ' HB3' ' O ' ' A' ' 819' ' ' CYS . 34.9 t 88.36 -158.21 0.01 OUTLIER 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.132 0.573 . . . . 1.1799999999999999 109.905 162.154 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 821' ' ' MET . . . . . . . . . . . . . 31.7 mmt -82.66 -54.71 4.93 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 111.718 0.266 . . . . 2.1000000000000001 111.718 -173.121 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 822' ' ' THR . . . . . . . . . . . . . 3.9 m -44.17 -52.49 7.29 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 123.786 0.834 . . . . 0.77000000000000002 112.837 177.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 823' ' ' CYS . . . . . . . . . . . . . 98.4 m -69.92 -48.15 59.64 Favored 'General case' 0 C--N 1.312 -1.051 0 N-CA-C 112.778 0.658 . . . . 0.62 112.778 -176.134 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 824' ' ' ALA . . . . . . . . . . . . . . . -60.45 -46.74 88.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.248 -0.433 . . . . 0.32000000000000001 111.485 -177.361 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 19.9 ptmt -65.78 -30.9 71.62 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 116.013 -0.539 . . . . 2.6000000000000001 110.298 -178.796 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 43.9 ttt180 -70.63 -25.1 62.87 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.562 -0.745 . . . . 3.5299999999999998 110.646 -173.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 827' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -84.38 24.89 0.92 Allowed 'General case' 0 CA--C 1.535 0.384 0 CA-C-O 121.914 0.864 . . . . 1.49 109.909 177.017 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 828' ' ' ASN . . . . . . . . . . . . . 32.3 p-10 . . . . . 0 C--O 1.245 0.817 0 CA-C-N 115.965 -0.561 . . . . 3.1000000000000001 110.505 169.505 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 829' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 796' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.233 0.21 0 CA-C-O 121.435 0.636 . . . . 1.68 111.522 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 797' ' ' LEU . . . . . 0.437 HD22 ' C ' ' A' ' 807' ' ' ALA . 15.6 mt -98.17 152.6 19.19 Favored 'General case' 0 N--CA 1.441 -0.92 0 CA-C-O 122.093 0.949 . . . . 0.55 112.275 -178.643 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 798' ' ' LEU . . . . . 0.497 HD12 ' N ' ' A' ' 799' ' ' LYS . 1.0 OUTLIER -145.23 179.91 7.07 Favored 'General case' 0 C--N 1.305 -1.366 0 N-CA-C 103.717 -2.698 . . . . 1.31 103.717 166.714 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 799' ' ' LYS . . . . . 0.497 ' N ' HD12 ' A' ' 798' ' ' LEU . 0.0 OUTLIER -145.01 148.0 33.25 Favored 'General case' 0 C--N 1.315 -0.892 0 C-N-CA 116.75 -1.98 . . . . 1.78 113.547 -176.02 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 800' ' ' CYS . . . . . 0.47 ' HA ' ' HA ' ' A' ' 818' ' ' PHE . 53.9 t -49.62 111.33 0.49 Allowed 'General case' 0 N--CA 1.44 -0.933 0 CA-C-N 112.366 -2.197 . . . . 0.3 111.26 178.742 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 55.4 mm-40 -62.92 12.88 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 112.667 0.617 . . . . 2.42 112.667 177.098 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 802' ' ' TYR . . . . . 0.457 ' H ' ' C ' ' A' ' 800' ' ' CYS . 36.0 t80 -105.81 -89.63 0.43 Allowed 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 108.672 -0.862 . . . . 0.87 108.672 171.004 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 3.2 p -65.45 -32.74 74.52 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 113.841 1.052 . . . . 0.29 113.841 177.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 90.85 20.13 41.04 Favored Glycine 0 C--N 1.318 -0.46 0 C-N-CA 119.833 -1.175 . . . . 0.27 113.358 174.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 805' ' ' LYS . . . . . . . . . . . . . 64.1 mttm -82.16 136.69 35.1 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.688 0.28 . . . . 2.31 110.635 178.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 806' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -88.15 138.41 31.47 Favored 'General case' 0 CA--C 1.514 -0.414 0 CA-C-N 115.752 -0.658 . . . . 0.93 109.83 -177.045 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 807' ' ' ALA . . . . . 0.437 ' C ' HD22 ' A' ' 797' ' ' LEU . . . -157.09 160.68 30.47 Favored Pre-proline 0 C--N 1.315 -0.912 0 CA-C-N 115.386 -0.825 . . . . 0.31 109.477 -176.003 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 808' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_exo -63.23 125.85 16.61 Favored 'Trans proline' 0 N--CA 1.451 -0.983 0 C-N-CA 121.37 1.38 . . . . 0.57 109.909 176.369 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 809' ' ' ALA . . . . . 0.501 ' HA ' ' CD1' ' A' ' 812' ' ' PHE . . . -42.08 -26.96 0.11 Allowed 'General case' 0 N--CA 1.477 0.879 0 O-C-N 124.45 1.093 . . . . 0.29 113.568 -177.023 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -61.32 -26.35 67.74 Favored 'General case' 0 C--N 1.318 -0.768 0 C-N-CA 122.885 0.474 . . . . 2.86 112.2 178.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.29 -2.07 58.36 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.664 0.745 . . . . 1.28 109.769 -177.399 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 812' ' ' PHE . . . . . 0.501 ' CD1' ' HA ' ' A' ' 809' ' ' ALA . 67.6 m-85 -91.86 62.84 4.42 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 122.144 0.973 . . . . 0.54 109.089 -176.773 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 813' ' ' ARG . . . . . 0.413 HH11 ' HD3' ' A' ' 813' ' ' ARG . 14.1 mmm-85 -71.99 -5.25 33.58 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 113.523 -1.671 . . . . 4.06 110.645 -178.125 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . -82.64 33.83 2.77 Favored Glycine 0 N--CA 1.449 -0.451 0 N-CA-C 111.087 -0.805 . . . . 2.06 111.087 173.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 16.3 m 56.61 47.11 19.12 Favored 'General case' 0 C--O 1.231 0.126 0 C-N-CA 123.29 0.636 . . . . 1.93 111.016 -179.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp 55.36 58.21 4.81 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 114.891 -1.049 . . . . 1.66 111.299 171.329 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 817' ' ' ARG . . . . . . . . . . . . . 60.0 mtt85 -144.3 -42.56 0.26 Allowed 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 107.865 -1.161 . . . . 3.2 107.865 178.412 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 818' ' ' PHE . . . . . 0.47 ' HA ' ' HA ' ' A' ' 800' ' ' CYS . 93.0 m-85 -135.98 162.86 31.68 Favored 'General case' 0 N--CA 1.438 -1.066 0 CA-C-N 114.275 -1.329 . . . . 0.52 108.585 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 819' ' ' CYS . . . . . . . . . . . . . 1.8 p -68.57 -157.79 0.02 OUTLIER 'General case' 0 C--N 1.315 -0.931 0 N-CA-C 108.822 -0.807 . . . . 1.36 108.822 170.36 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 29.8 p -67.87 -131.04 0.0 OUTLIER 'General case' 0 CA--C 1.55 0.973 0 N-CA-C 113.751 1.019 . . . . 1.18 113.751 -160.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 821' ' ' MET . . . . . 0.618 ' O ' ' HG2' ' A' ' 825' ' ' LYS . 32.4 mmt -78.46 -57.56 3.71 Favored 'General case' 0 CA--C 1.515 -0.394 0 O-C-N 121.001 -1.062 . . . . 2.1 112.134 -161.117 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 822' ' ' THR . . . . . 0.429 ' O ' ' HB2' ' A' ' 826' ' ' ARG . 4.1 m -44.35 -51.98 8.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 123.701 0.626 . . . . 0.77 112.04 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 823' ' ' CYS . . . . . . . . . . . . . 91.5 m -73.07 -54.04 9.55 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 113.777 1.028 . . . . 0.62 113.777 -175.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 824' ' ' ALA . . . . . . . . . . . . . . . -58.73 -45.08 90.42 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-O 120.652 0.263 . . . . 0.32 111.408 -177.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 825' ' ' LYS . . . . . 0.618 ' HG2' ' O ' ' A' ' 821' ' ' MET . 19.1 ptmt -66.12 -27.68 68.23 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 121.018 -0.273 . . . . 2.6 111.138 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 826' ' ' ARG . . . . . 0.429 ' HB2' ' O ' ' A' ' 822' ' ' THR . 66.8 ttt180 -73.8 -23.82 59.74 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 121.464 0.649 . . . . 3.53 110.069 -173.619 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 827' ' ' TYR . . . . . . . . . . . . . 79.8 t80 . . . . . 0 C--N 1.327 -0.411 0 CA-C-N 115.074 -0.966 . . . . 1.49 110.051 177.189 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 796' ' ' ASN . . . . . 0.477 ' N ' HD22 ' A' ' 796' ' ' ASN . 0.0 OUTLIER . . . . . 0 CA--C 1.528 0.112 0 CA-C-O 122.026 0.917 . . . . 1.68 109.753 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 797' ' ' LEU . . . . . . . . . . . . . 16.2 mt -90.48 147.29 23.49 Favored 'General case' 0 N--CA 1.442 -0.842 0 CA-C-N 115.624 -0.716 . . . . 0.55 111.214 -171.448 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 798' ' ' LEU . . . . . 0.458 HD22 ' C ' ' A' ' 798' ' ' LEU . 0.0 OUTLIER -144.89 171.12 14.89 Favored 'General case' 0 C--N 1.309 -1.171 0 N-CA-C 104.814 -2.291 . . . . 1.31 104.814 169.129 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 799' ' ' LYS . . . . . 0.458 ' HD2' ' CE2' ' A' ' 806' ' ' TYR . 0.0 OUTLIER -135.69 139.92 44.05 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 116.63 -2.028 . . . . 1.78 114.203 -171.575 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 800' ' ' CYS . . . . . 0.734 ' HB2' ' SG ' ' A' ' 819' ' ' CYS . 49.0 t -42.55 116.43 0.85 Allowed 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 111.324 -2.671 . . . . 0.3 113.105 178.16 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -59.26 -3.48 0.41 Allowed 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 115.293 -0.867 . . . . 2.42 112.793 176.284 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 802' ' ' TYR . . . . . 0.49 ' HB2' ' CE1' ' A' ' 818' ' ' PHE . 21.9 t80 -102.68 -49.73 3.75 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.261 -0.576 . . . . 0.87 110.899 -179.602 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 7.7 p -112.4 -27.27 8.34 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.749 0.648 . . . . 0.29 112.749 -177.051 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 90.88 19.11 44.67 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.061 -1.066 . . . . 0.27 112.718 174.104 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 805' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -79.45 132.02 36.24 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.937 -0.394 . . . . 2.31 109.937 178.193 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 806' ' ' TYR . . . . . 0.458 ' CE2' ' HD2' ' A' ' 799' ' ' LYS . 73.1 m-85 -89.54 131.09 35.73 Favored 'General case' 0 CA--C 1.515 -0.37 0 N-CA-C 109.644 -0.502 . . . . 0.93 109.644 -179.384 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -156.11 157.12 31.11 Favored Pre-proline 0 C--N 1.319 -0.743 0 CA-C-N 115.62 -0.718 . . . . 0.31 109.825 -177.047 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 808' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_exo -58.2 126.98 23.16 Favored 'Trans proline' 0 N--CA 1.461 -0.397 0 C-N-CA 122.602 2.201 . . . . 0.57 111.584 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 809' ' ' ALA . . . . . . . . . . . . . . . -44.89 -32.98 1.78 Allowed 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 113.741 1.015 . . . . 0.29 113.741 -177.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 2.7 pm0 -58.83 -28.5 66.1 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.025 -0.534 . . . . 2.86 111.636 179.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -78.81 -29.6 44.94 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.271 -0.422 . . . . 1.28 110.508 -179.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 812' ' ' PHE . . . . . 0.748 ' HB3' ' HA ' ' A' ' 816' ' ' LYS . 33.6 m-85 -69.84 54.99 0.13 Allowed 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 113.176 0.806 . . . . 0.54 113.176 -179.529 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 69.9 mtm-85 -79.39 14.38 1.59 Allowed 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.76 -0.655 . . . . 4.06 110.922 175.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . -94.46 42.57 2.43 Favored Glycine 0 N--CA 1.444 -0.776 0 N-CA-C 110.174 -1.17 . . . . 2.06 110.174 167.277 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 7.8 t 60.76 39.87 16.77 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 121.336 0.588 . . . . 1.93 111.118 -178.191 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 816' ' ' LYS . . . . . 0.748 ' HA ' ' HB3' ' A' ' 812' ' ' PHE . 97.4 mttt 47.36 56.46 6.93 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 114.587 -1.188 . . . . 1.66 111.989 165.648 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 817' ' ' ARG . . . . . . . . . . . . . 61.6 mtm180 -153.91 -31.34 0.12 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 113.538 -1.665 . . . . 3.2 109.062 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 818' ' ' PHE . . . . . 0.49 ' CE1' ' HB2' ' A' ' 802' ' ' TYR . 81.2 m-85 -133.5 136.77 45.29 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 109.313 -0.625 . . . . 0.52 109.313 175.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 819' ' ' CYS . . . . . 0.734 ' SG ' ' HB2' ' A' ' 800' ' ' CYS . 0.8 OUTLIER -73.98 103.54 4.51 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 116.11 -0.496 . . . . 1.36 111.413 -173.303 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 56.5 p 82.75 -154.38 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.573 1.149 . . . . 1.18 110.001 163.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 821' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.9 -60.38 2.03 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.846 0.355 . . . . 2.1 111.117 -172.771 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 822' ' ' THR . . . . . 0.463 ' HA ' ' HD3' ' A' ' 825' ' ' LYS . 0.5 OUTLIER -45.56 -41.71 10.18 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 113.649 0.981 . . . . 0.77 113.649 177.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 823' ' ' CYS . . . . . 0.584 ' HB2' ' O ' ' A' ' 819' ' ' CYS . 93.2 m -74.41 -43.83 54.62 Favored 'General case' 0 C--N 1.313 -1.003 0 N-CA-C 112.407 0.521 . . . . 0.62 112.407 178.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 824' ' ' ALA . . . . . . . . . . . . . . . -61.84 -44.6 96.51 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.501 -0.318 . . . . 0.32 111.324 179.479 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 825' ' ' LYS . . . . . 0.463 ' HD3' ' HA ' ' A' ' 822' ' ' THR . 0.0 OUTLIER -64.7 -27.66 69.07 Favored 'General case' 0 C--O 1.227 -0.121 0 CA-C-O 120.965 0.412 . . . . 2.6 110.629 178.478 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 7.4 tpp180 -66.89 -31.03 71.36 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 115.642 -0.708 . . . . 3.53 110.873 -176.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 827' ' ' TYR . . . . . . . . . . . . . 88.7 t80 . . . . . 0 C--N 1.329 -0.324 0 C-N-CA 120.743 -0.383 . . . . 1.49 110.434 178.013 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 796' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.237 0.422 0 N-CA-C 109.264 -0.643 . . . . 1.68 109.264 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 797' ' ' LEU . . . . . . . . . . . . . 22.3 mt -93.57 153.68 18.29 Favored 'General case' 0 N--CA 1.441 -0.914 0 CA-C-O 121.772 0.796 . . . . 0.55 111.198 -172.148 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 798' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -150.39 -174.08 4.64 Favored 'General case' 0 C--N 1.308 -1.215 0 N-CA-C 105.031 -2.211 . . . . 1.31 105.031 171.203 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 799' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.78 143.07 25.15 Favored 'General case' 0 C--N 1.313 -0.989 0 C-N-CA 117.118 -1.833 . . . . 1.78 114.292 -174.19 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 800' ' ' CYS . . . . . 0.631 ' HB2' ' SG ' ' A' ' 819' ' ' CYS . 39.8 t -44.75 108.09 0.11 Allowed 'General case' 0 N--CA 1.446 -0.67 0 CA-C-N 112.124 -2.307 . . . . 0.3 112.18 178.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -65.01 16.2 0.02 OUTLIER 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 113.001 0.741 . . . . 2.42 113.001 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 802' ' ' TYR . . . . . 0.455 ' H ' ' C ' ' A' ' 800' ' ' CYS . 27.8 t80 -110.56 -41.3 4.36 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 110.045 -0.354 . . . . 0.87 110.045 173.404 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 803' ' ' CYS . . . . . 0.419 ' SG ' ' SG ' ' A' ' 800' ' ' CYS . 9.1 p -116.56 -35.48 4.23 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 112.77 0.656 . . . . 0.29 112.77 -178.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 96.07 22.52 19.9 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.607 -0.806 . . . . 0.27 112.761 177.448 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 805' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -84.2 129.72 34.87 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 122.508 -0.407 . . . . 2.31 110.056 179.139 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 806' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -84.56 136.4 33.81 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-O 121.299 0.571 . . . . 0.93 111.187 -173.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -161.53 158.14 22.19 Favored Pre-proline 0 N--CA 1.446 -0.668 0 CA-C-N 114.87 -1.059 . . . . 0.31 109.609 -176.328 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 808' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo -59.87 131.17 38.19 Favored 'Trans proline' 0 N--CA 1.457 -0.657 0 C-N-CA 122.349 2.032 . . . . 0.57 110.955 174.347 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 809' ' ' ALA . . . . . . . . . . . . . . . -43.22 -21.44 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 113.944 1.091 . . . . 0.29 113.944 177.6 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 810' ' ' GLU . . . . . 0.504 ' O ' ' HG3' ' A' ' 813' ' ' ARG . 3.0 mm-40 -63.38 -26.44 68.75 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.91 0.707 . . . . 2.86 112.91 179.392 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -76.5 -28.42 56.43 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.13 -0.693 . . . . 1.28 109.13 -178.412 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 812' ' ' PHE . . . . . 0.787 ' HB3' ' HA ' ' A' ' 816' ' ' LYS . 2.7 m-85 -70.29 45.13 0.07 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 114.524 -1.216 . . . . 0.54 112.967 179.294 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 813' ' ' ARG . . . . . 0.504 ' HG3' ' O ' ' A' ' 810' ' ' GLU . 98.4 mtt180 -82.4 145.35 29.93 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.007 -0.738 . . . . 4.06 109.007 173.724 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 93.71 -41.21 2.67 Favored Glycine 0 N--CA 1.445 -0.735 0 N-CA-C 110.976 -0.849 . . . . 2.06 110.976 -170.141 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 12.9 p -171.03 124.98 0.65 Allowed 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 122.584 0.353 . . . . 1.93 110.433 177.655 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 816' ' ' LYS . . . . . 0.787 ' HA ' ' HB3' ' A' ' 812' ' ' PHE . 72.6 mmtt -76.81 54.33 0.98 Allowed 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 121.221 0.534 . . . . 1.66 110.177 179.496 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 817' ' ' ARG . . . . . . . . . . . . . 37.4 mmt180 -140.1 -30.66 0.67 Allowed 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 123.613 0.765 . . . . 3.2 110.233 -171.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 818' ' ' PHE . . . . . 0.601 ' HA ' ' HA ' ' A' ' 800' ' ' CYS . 55.5 m-85 -136.59 164.28 28.57 Favored 'General case' 0 CA--C 1.512 -0.487 0 N-CA-C 109.736 -0.468 . . . . 0.52 109.736 -177.629 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 819' ' ' CYS . . . . . 0.631 ' SG ' ' HB2' ' A' ' 800' ' ' CYS . 0.6 OUTLIER -68.37 -157.41 0.02 OUTLIER 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 108.534 -0.913 . . . . 1.36 108.534 167.174 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 62.1 p -67.49 -137.1 0.0 OUTLIER 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 113.716 1.006 . . . . 1.18 113.716 -159.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 821' ' ' MET . . . . . 0.419 ' SD ' ' HD2' ' A' ' 825' ' ' LYS . 0.0 OUTLIER -73.89 -51.93 14.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 121.014 -1.053 . . . . 2.1 111.153 -159.764 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 822' ' ' THR . . . . . . . . . . . . . 7.4 m -44.23 -50.47 8.81 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 123.548 0.53 . . . . 0.77 112.421 177.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 823' ' ' CYS . . . . . . . . . . . . . 69.0 m -72.37 -47.14 51.79 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 113.282 0.845 . . . . 0.62 113.282 -172.269 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 824' ' ' ALA . . . . . . . . . . . . . . . -60.82 -45.23 95.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.323 0.582 . . . . 0.32 109.896 175.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 825' ' ' LYS . . . . . 0.419 ' HD2' ' SD ' ' A' ' 821' ' ' MET . 42.1 tttp -58.77 -37.09 75.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.16 -0.927 . . . . 2.6 111.867 176.036 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 29.2 tpt180 -66.47 -33.02 74.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 3.53 111.586 -175.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 827' ' ' TYR . . . . . . . . . . . . . 50.0 t80 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.294 -0.412 . . . . 1.49 110.038 -176.426 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 796' ' ' ASN . . . . . . . . . . . . . 9.7 p30 . . . . . 0 N--CA 1.449 -0.51 0 N-CA-C 108.86 -0.793 . . . . 1.68 108.86 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 797' ' ' LEU . . . . . . . . . . . . . 21.6 mt -92.43 147.85 22.58 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-O 121.286 0.565 . . . . 0.55 110.444 -170.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 798' ' ' LEU . . . . . 0.519 HD12 ' N ' ' A' ' 799' ' ' LYS . 1.3 pp -146.27 178.95 7.85 Favored 'General case' 0 C--N 1.307 -1.277 0 N-CA-C 105.26 -2.126 . . . . 1.31 105.26 171.579 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 799' ' ' LYS . . . . . 0.519 ' N ' HD12 ' A' ' 798' ' ' LEU . 20.9 pttm -142.02 146.83 35.98 Favored 'General case' 0 N--CA 1.44 -0.963 0 C-N-CA 116.403 -2.119 . . . . 1.78 114.118 -171.598 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 800' ' ' CYS . . . . . 0.748 ' HB2' ' SG ' ' A' ' 819' ' ' CYS . 52.6 t -52.19 102.6 0.05 Allowed 'General case' 0 N--CA 1.443 -0.806 0 CA-C-N 111.747 -2.479 . . . . 0.3 111.398 174.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -67.67 19.13 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 112.973 0.731 . . . . 2.42 112.973 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 802' ' ' TYR . . . . . 0.466 ' H ' ' C ' ' A' ' 800' ' ' CYS . 60.5 t80 -105.44 -44.23 4.76 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.454 -0.573 . . . . 0.87 109.454 171.389 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 803' ' ' CYS . . . . . 0.457 ' SG ' ' SG ' ' A' ' 800' ' ' CYS . 19.4 p -114.04 -27.14 7.8 Favored 'General case' 0 N--CA 1.463 0.209 0 N-CA-C 112.414 0.524 . . . . 0.29 112.414 -178.466 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 804' ' ' GLY . . . . . 0.46 ' O ' ' HD2' ' A' ' 799' ' ' LYS . . . 91.62 17.61 48.26 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.284 -0.96 . . . . 0.27 112.367 173.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 805' ' ' LYS . . . . . 0.409 ' HA ' ' HD3' ' A' ' 805' ' ' LYS . 41.8 mmtm -87.02 131.09 34.2 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 110.29 -0.263 . . . . 2.31 110.29 -177.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 806' ' ' TYR . . . . . 0.49 ' CZ ' ' HD3' ' A' ' 799' ' ' LYS . 24.7 m-85 -88.56 137.94 31.87 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-O 120.922 0.392 . . . . 0.93 110.011 -175.438 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -160.21 162.15 24.48 Favored Pre-proline 0 C--N 1.321 -0.64 0 CA-C-N 115.407 -0.815 . . . . 0.31 109.943 -176.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 808' ' ' PRO . . . . . 0.429 ' O ' ' HG2' ' A' ' 811' ' ' GLN . 20.2 Cg_exo -66.05 128.61 19.99 Favored 'Trans proline' 0 N--CA 1.462 -0.376 0 C-N-CA 122.435 2.09 . . . . 0.57 111.355 -178.243 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 809' ' ' ALA . . . . . 0.486 ' O ' ' HE3' ' A' ' 816' ' ' LYS . . . -42.95 -29.72 0.35 Allowed 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 113.697 0.999 . . . . 0.29 113.697 -178.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 22.7 tp10 -57.57 -38.94 75.65 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 123.129 0.572 . . . . 2.86 112.495 -177.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 811' ' ' GLN . . . . . 0.429 ' HG2' ' O ' ' A' ' 808' ' ' PRO . 7.1 pt20 -75.79 -18.88 59.35 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 121.191 -0.203 . . . . 1.28 111.117 -177.238 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 812' ' ' PHE . . . . . 0.561 ' HB3' ' HA ' ' A' ' 816' ' ' LYS . 77.7 m-85 -69.33 62.96 0.15 Allowed 'General case' 0 CA--C 1.53 0.177 0 CA-C-O 121.733 0.778 . . . . 0.54 112.057 174.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 85.8 mtt180 -76.27 -27.28 56.62 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 114.925 -1.034 . . . . 4.06 110.343 174.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . -90.54 51.37 3.31 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.789 -0.72 . . . . 2.06 111.302 174.042 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 39.5 m 73.22 142.45 0.06 Allowed 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 123.553 0.741 . . . . 1.93 111.129 -175.325 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 816' ' ' LYS . . . . . 0.561 ' HA ' ' HB3' ' A' ' 812' ' ' PHE . 13.7 mptt -76.61 59.65 1.55 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.294 0.568 . . . . 1.66 109.822 178.424 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 817' ' ' ARG . . . . . . . . . . . . . 81.7 mtp180 -145.79 -32.22 0.37 Allowed 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.465 -0.789 . . . . 3.2 109.11 -173.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 818' ' ' PHE . . . . . 0.586 ' HB3' ' HB3' ' A' ' 823' ' ' CYS . 62.6 m-85 -139.6 136.06 33.98 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 108.327 -0.99 . . . . 0.52 108.327 177.778 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 819' ' ' CYS . . . . . 0.748 ' SG ' ' HB2' ' A' ' 800' ' ' CYS . 0.8 OUTLIER -73.23 102.1 3.55 Favored 'General case' 0 N--CA 1.445 -0.677 0 C-N-CA 119.742 -0.783 . . . . 1.36 112.29 -170.113 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 5.3 t 87.1 -147.86 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 115.729 -0.668 . . . . 1.18 110.214 162.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 821' ' ' MET . . . . . . . . . . . . . 14.3 tpt -85.19 -61.41 1.78 Allowed 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 111.973 0.361 . . . . 2.1 111.973 -172.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 822' ' ' THR . . . . . . . . . . . . . 25.9 m -45.5 -44.6 12.64 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 123.547 0.739 . . . . 0.77 112.694 177.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 823' ' ' CYS . . . . . 0.586 ' HB3' ' HB3' ' A' ' 818' ' ' PHE . 60.4 m -70.71 -41.67 71.63 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 112.58 0.585 . . . . 0.62 112.58 179.712 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 824' ' ' ALA . . . . . . . . . . . . . . . -61.54 -42.98 99.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.352 0.596 . . . . 0.32 110.019 175.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 14.1 tmtt? -61.76 -37.26 83.63 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.23 -0.896 . . . . 2.6 110.691 176.513 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 826' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' A' ' 826' ' ' ARG . 17.1 tpt180 -64.87 -33.79 76.85 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.866 -0.606 . . . . 3.53 111.288 -173.424 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 827' ' ' TYR . . . . . . . . . . . . . 31.6 t80 . . . . . 0 C--N 1.327 -0.403 0 CA-C-O 121.161 0.505 . . . . 1.49 111.291 -178.193 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 796' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.234 0.25 0 CA-C-O 121.623 0.725 . . . . 1.68 110.221 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 797' ' ' LEU . . . . . . . . . . . . . 6.7 mt -105.6 147.88 27.94 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.425 -0.807 . . . . 0.55 110.087 -177.457 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 798' ' ' LEU . . . . . 0.466 HD22 ' C ' ' A' ' 798' ' ' LEU . 0.0 OUTLIER -147.61 176.36 10.14 Favored 'General case' 0 C--N 1.313 -1.009 0 N-CA-C 106.024 -1.843 . . . . 1.31 106.024 173.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 799' ' ' LYS . . . . . 0.445 ' HA ' ' O ' ' A' ' 805' ' ' LYS . 0.0 OUTLIER -134.78 136.32 42.49 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 117.337 -1.745 . . . . 1.78 113.959 -171.42 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 800' ' ' CYS . . . . . 0.579 ' HB2' ' SG ' ' A' ' 819' ' ' CYS . 33.7 t -45.67 118.61 1.86 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 111.9 -2.409 . . . . 0.3 112.753 179.297 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 801' ' ' GLU . . . . . 0.419 ' CD ' HH12 ' A' ' 817' ' ' ARG . 36.5 tt0 -61.11 -1.94 0.54 Allowed 'General case' 0 CA--C 1.542 0.673 0 N-CA-C 113.21 0.819 . . . . 2.42 113.21 178.661 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 802' ' ' TYR . . . . . . . . . . . . . 19.9 t80 -103.09 -46.16 4.72 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 121.453 -0.779 . . . . 0.87 110.999 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 803' ' ' CYS . . . . . 0.442 ' SG ' ' HG3' ' A' ' 805' ' ' LYS . 8.0 p -115.27 -31.77 5.87 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 112.942 0.719 . . . . 0.29 112.942 -178.784 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 96.19 27.07 10.4 Favored Glycine 0 N--CA 1.444 -0.778 0 C-N-CA 120.104 -1.046 . . . . 0.27 112.817 177.217 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 805' ' ' LYS . . . . . 0.445 ' O ' ' HA ' ' A' ' 799' ' ' LYS . 68.8 mttm -75.91 123.73 26.18 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 110.142 -0.318 . . . . 2.31 110.142 176.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 806' ' ' TYR . . . . . . . . . . . . . 70.8 m-85 -86.66 123.99 32.45 Favored 'General case' 0 CA--C 1.512 -0.51 0 N-CA-C 108.429 -0.952 . . . . 0.93 108.429 176.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 807' ' ' ALA . . . . . 0.579 ' HB1' ' HD2' ' A' ' 808' ' ' PRO . . . -157.19 163.11 26.1 Favored Pre-proline 0 C--N 1.315 -0.892 0 CA-C-N 115.61 -0.723 . . . . 0.31 110.176 -173.049 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 808' ' ' PRO . . . . . 0.579 ' HD2' ' HB1' ' A' ' 807' ' ' ALA . 35.1 Cg_endo -65.75 132.05 29.42 Favored 'Trans proline' 0 N--CA 1.457 -0.672 0 C-N-CA 122.019 1.813 . . . . 0.57 111.179 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 809' ' ' ALA . . . . . . . . . . . . . . . -43.91 -28.01 0.41 Allowed 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 114.917 -1.038 . . . . 0.29 112.756 178.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -57.92 -36.43 72.46 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 115.538 -0.756 . . . . 2.86 111.13 178.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -82.02 -27.46 33.06 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 116.033 -0.531 . . . . 1.28 109.953 -173.798 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 812' ' ' PHE . . . . . 0.5 ' O ' ' HD2' ' A' ' 816' ' ' LYS . 54.2 m-85 -68.93 57.23 0.09 Allowed 'General case' 0 C--O 1.232 0.147 0 CA-C-O 121.775 0.798 . . . . 0.54 112.259 175.466 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 49.3 mtt180 -80.09 17.28 1.03 Allowed 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 114.87 -1.059 . . . . 4.06 110.771 176.29 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . -91.55 36.41 3.65 Favored Glycine 0 N--CA 1.442 -0.918 0 N-CA-C 109.459 -1.456 . . . . 2.06 109.459 163.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 20.8 m 59.37 42.37 18.15 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 123.41 0.684 . . . . 1.93 111.943 -177.087 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 816' ' ' LYS . . . . . 0.5 ' HD2' ' O ' ' A' ' 812' ' ' PHE . 0.9 OUTLIER 53.25 56.17 7.79 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 115.478 -0.783 . . . . 1.66 111.072 171.948 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 817' ' ' ARG . . . . . 0.419 HH12 ' CD ' ' A' ' 801' ' ' GLU . 15.3 mmm180 -143.53 -42.25 0.29 Allowed 'General case' 0 C--N 1.314 -0.968 0 N-CA-C 107.56 -1.274 . . . . 3.2 107.56 -179.742 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 818' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -134.51 161.41 35.13 Favored 'General case' 0 N--CA 1.435 -1.223 0 CA-C-N 114.155 -1.384 . . . . 0.52 108.361 175.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 819' ' ' CYS . . . . . 0.579 ' SG ' ' HB2' ' A' ' 800' ' ' CYS . 0.6 OUTLIER -67.88 -158.62 0.02 OUTLIER 'General case' 0 C--N 1.314 -0.961 0 N-CA-C 108.641 -0.874 . . . . 1.36 108.641 171.9 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 19.6 p -67.84 -151.81 0.01 OUTLIER 'General case' 0 CA--C 1.553 1.086 0 CA-C-N 118.642 0.655 . . . . 1.18 112.697 -161.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 821' ' ' MET . . . . . 0.446 ' CE ' ' HA ' ' A' ' 821' ' ' MET . 3.3 mmt -70.18 -48.84 55.45 Favored 'General case' 0 C--N 1.328 -0.329 0 O-C-N 121.085 -1.009 . . . . 2.1 112.431 -159.665 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 822' ' ' THR . . . . . . . . . . . . . 8.8 m -45.61 -50.6 13.1 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 123.61 0.569 . . . . 0.77 111.944 175.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 823' ' ' CYS . . . . . . . . . . . . . 85.3 m -71.81 -53.36 13.57 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 113.026 0.75 . . . . 0.62 113.026 -176.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 824' ' ' ALA . . . . . . . . . . . . . . . -56.61 -47.59 79.3 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-O 120.507 0.194 . . . . 0.32 111.477 -179.164 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 13.6 ptmm? -64.19 -31.93 73.32 Favored 'General case' 0 CA--C 1.522 -0.124 0 CA-C-N 116.716 -0.22 . . . . 2.6 111.12 -176.027 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 70.3 ttt180 -72.69 -23.12 60.83 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 121.277 0.56 . . . . 3.53 110.343 -174.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 827' ' ' TYR . . . . . . . . . . . . . 70.3 t80 . . . . . 0 C--N 1.326 -0.443 0 CA-C-N 115.631 -0.713 . . . . 1.49 109.296 175.755 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 796' ' ' ASN . . . . . . . . . . . . . 5.0 p30 . . . . . 0 CA--C 1.517 -0.306 0 N-CA-C 107.538 -1.282 . . . . 1.68 107.538 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 797' ' ' LEU . . . . . . . . . . . . . 11.5 mt -94.8 148.69 22.03 Favored 'General case' 0 N--CA 1.441 -0.878 0 CA-C-O 121.843 0.83 . . . . 0.55 111.502 -165.241 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 798' ' ' LEU . . . . . 0.603 HD12 ' N ' ' A' ' 799' ' ' LYS . 3.1 pp -147.32 179.9 7.32 Favored 'General case' 0 C--N 1.31 -1.118 0 N-CA-C 104.444 -2.428 . . . . 1.31 104.444 171.039 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 799' ' ' LYS . . . . . 0.603 ' N ' HD12 ' A' ' 798' ' ' LEU . 0.1 OUTLIER -144.17 141.12 29.75 Favored 'General case' 0 C--N 1.316 -0.881 0 C-N-CA 116.332 -2.147 . . . . 1.78 115.08 -173.366 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 800' ' ' CYS . . . . . 0.553 ' HB2' ' SG ' ' A' ' 819' ' ' CYS . 47.3 t -46.02 103.05 0.03 OUTLIER 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 110.907 -2.86 . . . . 0.3 112.41 175.036 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 801' ' ' GLU . . . . . 0.407 ' OE1' ' HE3' ' A' ' 799' ' ' LYS . 5.2 mm-40 -69.72 21.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 113.439 0.903 . . . . 2.42 113.439 -177.733 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 802' ' ' TYR . . . . . . . . . . . . . 85.8 t80 -108.14 -51.95 2.83 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.806 0.336 . . . . 0.87 110.157 169.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 6.4 p -107.42 -24.32 11.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.671 -0.24 . . . . 0.29 111.332 -177.575 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 92.36 17.27 46.83 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.653 -0.784 . . . . 0.27 113.371 169.468 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 805' ' ' LYS . . . . . 0.457 ' O ' ' HB2' ' A' ' 799' ' ' LYS . 88.0 mttt -84.98 133.07 34.27 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.66 -0.416 . . . . 2.31 110.969 -178.705 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 806' ' ' TYR . . . . . . . . . . . . . 67.2 m-85 -88.82 136.11 33.18 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.621 -0.718 . . . . 0.93 110.201 -178.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 807' ' ' ALA . . . . . 0.631 ' HB1' ' HD2' ' A' ' 808' ' ' PRO . . . -160.84 167.11 14.18 Favored Pre-proline 0 C--N 1.321 -0.636 0 CA-C-N 114.901 -1.045 . . . . 0.31 109.712 -174.327 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 808' ' ' PRO . . . . . 0.631 ' HD2' ' HB1' ' A' ' 807' ' ' ALA . 29.8 Cg_endo -64.25 129.82 25.26 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 121.969 1.779 . . . . 0.57 111.427 178.496 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 809' ' ' ALA . . . . . . . . . . . . . . . -45.48 -27.07 0.66 Allowed 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 115.132 -0.94 . . . . 0.29 112.575 179.341 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -63.6 -27.78 69.48 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 114.981 -1.009 . . . . 2.86 111.826 -179.064 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -73.02 -29.11 62.77 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.028 0.442 . . . . 1.28 109.892 -177.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 812' ' ' PHE . . . . . 0.899 ' HB2' ' HD3' ' A' ' 816' ' ' LYS . 43.4 m-85 -73.24 66.3 0.89 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.573 -0.74 . . . . 0.54 111.917 -177.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 24.1 mmt180 -77.81 -36.11 50.59 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.778 -0.647 . . . . 4.06 110.796 175.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 814' ' ' GLY . . . . . 0.446 ' O ' ' HB3' ' A' ' 815' ' ' SER . . . -84.25 56.72 5.04 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.725 -0.75 . . . . 2.06 111.247 177.128 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 815' ' ' SER . . . . . 0.446 ' HB3' ' O ' ' A' ' 814' ' ' GLY . 33.6 t 76.49 141.9 0.07 Allowed 'General case' 0 CA--C 1.531 0.213 0 CA-C-O 121.528 0.68 . . . . 1.93 110.467 -174.223 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 816' ' ' LYS . . . . . 0.899 ' HD3' ' HB2' ' A' ' 812' ' ' PHE . 4.9 tppt? -75.01 15.98 0.35 Allowed 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 115.266 -0.879 . . . . 1.66 111.602 -173.086 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 817' ' ' ARG . . . . . 0.519 ' O ' ' HA ' ' A' ' 800' ' ' CYS . 70.6 mtm180 -95.89 -30.09 13.84 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 123.178 0.591 . . . . 3.2 111.125 -178.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 818' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -136.57 140.03 42.6 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 110.351 -0.24 . . . . 0.52 110.351 -170.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 819' ' ' CYS . . . . . 0.553 ' SG ' ' HB2' ' A' ' 800' ' ' CYS . 0.8 OUTLIER -72.5 100.01 2.63 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 120.803 -0.359 . . . . 1.36 110.569 -175.098 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 8.6 t 82.5 -165.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.924 -1.139 . . . . 1.18 107.924 168.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 821' ' ' MET . . . . . 0.636 ' O ' ' HG2' ' A' ' 825' ' ' LYS . 2.5 mpt? -91.04 -40.76 11.45 Favored 'General case' 0 C--O 1.22 -0.489 0 CA-C-N 119.775 1.171 . . . . 2.1 113.004 -177.711 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 822' ' ' THR . . . . . . . . . . . . . 25.7 m -47.09 -44.23 21.05 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 118.475 0.579 . . . . 0.77 111.599 175.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 823' ' ' CYS . . . . . 0.453 ' HB2' ' O ' ' A' ' 819' ' ' CYS . 25.7 m -73.91 -40.1 63.39 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-O 120.854 0.359 . . . . 0.62 111.684 177.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 824' ' ' ALA . . . . . . . . . . . . . . . -58.46 -41.73 85.85 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.769 -0.651 . . . . 0.32 111.526 178.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 825' ' ' LYS . . . . . 0.636 ' HG2' ' O ' ' A' ' 821' ' ' MET . 13.3 mmmm -63.2 -39.08 93.62 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-O 121.958 0.885 . . . . 2.6 110.342 179.03 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 826' ' ' ARG . . . . . 0.756 ' HA ' ' HE ' ' A' ' 826' ' ' ARG . 0.3 OUTLIER -66.36 -21.47 66.24 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 114.018 -1.446 . . . . 3.53 110.755 -172.012 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 827' ' ' TYR . . . . . . . . . . . . . 23.5 t80 . . . . . 0 C--N 1.327 -0.379 0 CA-C-N 115.613 -0.721 . . . . 1.49 111.122 176.833 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 796' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 . . . . . 0 N--CA 1.468 0.464 0 CA-C-O 121.29 0.567 . . . . 1.68 111.506 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 797' ' ' LEU . . . . . . . . . . . . . 18.8 mt -87.36 150.88 23.54 Favored 'General case' 0 N--CA 1.441 -0.88 0 CA-C-O 121.607 0.717 . . . . 0.55 110.532 -171.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 798' ' ' LEU . . . . . 0.441 HD22 ' C ' ' A' ' 798' ' ' LEU . 0.0 OUTLIER -149.94 177.0 10.25 Favored 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 105.259 -2.126 . . . . 1.31 105.259 170.428 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 799' ' ' LYS . . . . . 0.592 ' HD3' ' CZ ' ' A' ' 806' ' ' TYR . 23.0 pttm -137.21 141.56 42.1 Favored 'General case' 0 C--N 1.317 -0.829 0 C-N-CA 117.161 -1.816 . . . . 1.78 113.29 -174.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 800' ' ' CYS . . . . . 0.521 ' HA ' ' HA ' ' A' ' 818' ' ' PHE . 36.1 t -45.95 110.54 0.27 Allowed 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 111.488 -2.596 . . . . 0.3 111.562 174.244 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 801' ' ' GLU . . . . . 0.521 ' HB3' ' CE1' ' A' ' 818' ' ' PHE . 21.1 tt0 -61.11 0.14 0.27 Allowed 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.061 0.544 . . . . 2.42 112.412 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 802' ' ' TYR . . . . . . . . . . . . . 66.2 t80 -98.66 -48.38 4.99 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 121.831 -0.543 . . . . 0.87 110.025 -178.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 803' ' ' CYS . . . . . 0.421 ' SG ' ' HG2' ' A' ' 805' ' ' LYS . 4.9 p -116.28 -27.02 6.97 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 113.276 0.843 . . . . 0.29 113.276 -178.766 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 804' ' ' GLY . . . . . 0.435 ' HA2' ' HD2' ' A' ' 799' ' ' LYS . . . 96.35 19.78 27.0 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 119.835 -1.174 . . . . 0.27 113.171 175.025 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 805' ' ' LYS . . . . . 0.421 ' HG2' ' SG ' ' A' ' 803' ' ' CYS . 2.2 mmmp? -78.09 127.18 31.92 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.795 0.298 . . . . 2.31 110.286 179.09 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 806' ' ' TYR . . . . . 0.592 ' CZ ' ' HD3' ' A' ' 799' ' ' LYS . 96.8 m-85 -87.82 133.43 33.89 Favored 'General case' 0 CA--C 1.515 -0.388 0 N-CA-C 109.361 -0.607 . . . . 0.93 109.361 178.747 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 807' ' ' ALA . . . . . 0.439 ' O ' ' HE1' ' A' ' 812' ' ' PHE . . . -157.51 157.39 30.0 Favored Pre-proline 0 C--N 1.318 -0.764 0 CA-C-N 115.59 -0.732 . . . . 0.31 110.047 -173.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 808' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -62.65 128.93 24.72 Favored 'Trans proline' 0 N--CA 1.459 -0.539 0 C-N-CA 122.448 2.099 . . . . 0.57 109.737 176.088 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 809' ' ' ALA . . . . . . . . . . . . . . . -41.68 -24.69 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 114.52 1.304 . . . . 0.29 114.52 -176.512 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -62.34 -28.42 69.74 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 111.926 0.343 . . . . 2.86 111.926 178.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.45 -1.4 57.01 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.865 0.84 . . . . 1.28 109.37 -173.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 812' ' ' PHE . . . . . 0.439 ' HE1' ' O ' ' A' ' 807' ' ' ALA . 80.2 m-85 -96.53 67.61 2.44 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.137 -0.938 . . . . 0.54 109.495 -177.087 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 10.5 mmm180 -74.45 138.11 43.05 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.242 -1.344 . . . . 4.06 110.432 178.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 99.18 -41.39 2.21 Favored Glycine 0 N--CA 1.443 -0.849 0 N-CA-C 111.195 -0.762 . . . . 2.06 111.195 -179.552 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 26.5 t -175.49 137.04 0.36 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.432 -0.581 . . . . 1.93 109.432 178.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 816' ' ' LYS . . . . . 0.405 ' HA ' ' HB3' ' A' ' 812' ' ' PHE . 70.2 mmtt -76.08 55.04 0.9 Allowed 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 121.348 0.594 . . . . 1.66 109.453 177.355 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 817' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -147.52 -30.34 0.32 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.964 -1.016 . . . . 3.2 109.298 -172.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 818' ' ' PHE . . . . . 0.521 ' HA ' ' HA ' ' A' ' 800' ' ' CYS . 93.6 m-85 -134.13 149.0 51.05 Favored 'General case' 0 N--CA 1.436 -1.131 0 N-CA-C 107.63 -1.248 . . . . 0.52 107.63 174.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 819' ' ' CYS . . . . . 0.451 ' SG ' ' HB2' ' A' ' 800' ' ' CYS . 1.4 p -68.7 -159.23 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 108.627 -0.879 . . . . 1.36 108.627 173.62 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 15.5 p -62.64 -123.1 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 115.145 1.535 . . . . 1.18 115.145 -157.714 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 821' ' ' MET . . . . . . . . . . . . . 4.0 mmt -84.25 -54.23 4.95 Favored 'General case' 0 C--N 1.321 -0.661 0 O-C-N 120.907 -1.12 . . . . 2.1 111.604 -161.002 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 822' ' ' THR . . . . . . . . . . . . . 86.0 m -44.66 -55.98 4.78 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 123.878 0.736 . . . . 0.77 111.78 177.299 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 823' ' ' CYS . . . . . . . . . . . . . 98.1 m -69.3 -53.98 16.97 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 113.632 0.975 . . . . 0.62 113.632 -172.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 824' ' ' ALA . . . . . . . . . . . . . . . -59.67 -43.61 93.92 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 120.96 -0.296 . . . . 0.32 111.696 -177.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 54.9 pttt -71.35 -35.81 71.28 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.833 -0.347 . . . . 2.6 111.494 -178.273 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 1.9 tpm_? -73.5 -21.18 60.48 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.026 0.441 . . . . 3.53 110.435 -173.081 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 827' ' ' TYR . . . . . . . . . . . . . 33.9 t80 . . . . . 0 C--N 1.324 -0.539 0 CA-C-N 116.271 -0.422 . . . . 1.49 110.972 -178.787 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 796' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.233 0.23 0 N-CA-C 109.375 -0.602 . . . . 1.68 109.375 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 797' ' ' LEU . . . . . . . . . . . . . 28.6 mt -93.08 144.66 25.05 Favored 'General case' 0 N--CA 1.44 -0.972 0 CA-C-O 121.18 0.514 . . . . 0.55 110.716 -171.199 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 798' ' ' LEU . . . . . 0.488 HD12 ' N ' ' A' ' 799' ' ' LYS . 0.7 OUTLIER -143.0 176.47 9.06 Favored 'General case' 0 C--N 1.305 -1.362 0 N-CA-C 104.309 -2.478 . . . . 1.31 104.309 171.341 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 799' ' ' LYS . . . . . 0.488 ' N ' HD12 ' A' ' 798' ' ' LEU . 18.6 pttp -141.54 151.67 43.43 Favored 'General case' 0 N--CA 1.438 -1.065 0 C-N-CA 116.432 -2.107 . . . . 1.78 113.891 -173.191 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 800' ' ' CYS . . . . . 0.555 ' HA ' ' HA ' ' A' ' 818' ' ' PHE . 52.6 t -51.64 100.83 0.03 OUTLIER 'General case' 0 N--CA 1.436 -1.158 0 CA-C-N 111.628 -2.533 . . . . 0.3 110.365 172.471 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -65.43 23.79 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.392 0.516 . . . . 2.42 112.392 178.359 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 802' ' ' TYR . . . . . 0.525 ' H ' ' C ' ' A' ' 800' ' ' CYS . 30.2 t80 -108.86 -85.11 0.54 Allowed 'General case' 0 N--CA 1.442 -0.83 0 N-CA-C 107.952 -1.129 . . . . 0.87 107.952 165.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 3.8 p -65.25 -39.28 92.47 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 113.098 0.777 . . . . 0.29 113.098 177.498 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 804' ' ' GLY . . . . . 0.436 ' CA ' ' HD2' ' A' ' 799' ' ' LYS . . . 97.49 26.62 9.82 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.219 -0.991 . . . . 0.27 113.189 179.05 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 805' ' ' LYS . . . . . . . . . . . . . 30.0 mtpp -84.83 128.78 34.77 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.925 0.362 . . . . 2.31 110.198 178.377 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 806' ' ' TYR . . . . . 0.464 ' CZ ' ' HD3' ' A' ' 799' ' ' LYS . 83.3 m-85 -87.11 134.47 33.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.87 0.366 . . . . 0.93 110.126 -178.006 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -157.53 159.61 30.66 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 115.568 -0.742 . . . . 0.31 109.754 -175.103 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 808' ' ' PRO . . . . . 0.515 ' HB2' ' HG2' ' A' ' 810' ' ' GLU . 37.3 Cg_exo -62.17 128.61 24.45 Favored 'Trans proline' 0 N--CA 1.462 -0.375 0 C-N-CA 122.12 1.88 . . . . 0.57 111.629 178.453 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 809' ' ' ALA . . . . . . . . . . . . . . . -41.7 -27.1 0.09 Allowed 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 114.264 1.209 . . . . 0.29 114.264 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 810' ' ' GLU . . . . . 0.515 ' HG2' ' HB2' ' A' ' 808' ' ' PRO . 1.3 pm0 -60.89 -24.93 66.35 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.297 0.481 . . . . 2.86 112.297 179.219 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 811' ' ' GLN . . . . . 0.441 ' O ' ' HG2' ' A' ' 811' ' ' GLN . 5.4 tt0 -83.75 -5.17 59.13 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 121.464 0.649 . . . . 1.28 110.026 -177.633 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 812' ' ' PHE . . . . . 0.688 ' HB3' ' HA ' ' A' ' 816' ' ' LYS . 56.0 m-85 -96.59 48.08 1.07 Allowed 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.678 0.752 . . . . 0.54 110.02 -171.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 65.3 mtp180 -81.65 -4.79 57.11 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.097 -0.956 . . . . 4.06 110.792 179.388 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 814' ' ' GLY . . . . . 0.442 ' O ' ' HB2' ' A' ' 815' ' ' SER . . . -96.65 48.37 1.66 Allowed Glycine 0 N--CA 1.446 -0.649 0 N-CA-C 109.959 -1.256 . . . . 2.06 109.959 168.765 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 815' ' ' SER . . . . . 0.442 ' HB2' ' O ' ' A' ' 814' ' ' GLY . 74.8 m 71.14 141.71 0.05 Allowed 'General case' 0 C--O 1.234 0.253 0 CA-C-O 121.525 0.679 . . . . 1.93 110.485 -169.379 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 816' ' ' LYS . . . . . 0.688 ' HA ' ' HB3' ' A' ' 812' ' ' PHE . 33.0 mmtp -75.39 58.95 1.02 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.639 -0.71 . . . . 1.66 110.086 -177.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 817' ' ' ARG . . . . . . . . . . . . . 29.3 mtm180 -140.86 -36.41 0.46 Allowed 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.08 -0.711 . . . . 3.2 109.08 -173.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 818' ' ' PHE . . . . . 0.555 ' HA ' ' HA ' ' A' ' 800' ' ' CYS . 77.5 m-85 -133.81 159.1 41.63 Favored 'General case' 0 N--CA 1.44 -0.929 0 N-CA-C 108.829 -0.804 . . . . 0.52 108.829 -179.706 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 819' ' ' CYS . . . . . 0.537 ' SG ' ' HB2' ' A' ' 800' ' ' CYS . 0.5 OUTLIER -68.28 -161.17 0.03 OUTLIER 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 108.864 -0.791 . . . . 1.36 108.864 171.797 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 22.8 t -67.8 -116.67 0.0 OUTLIER 'General case' 0 CA--C 1.547 0.865 0 N-CA-C 113.19 0.811 . . . . 1.18 113.19 -158.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 821' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -85.27 -61.54 1.74 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 120.54 -1.35 . . . . 2.1 112.054 -166.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 822' ' ' THR . . . . . . . . . . . . . 10.0 m -45.93 -49.05 16.16 Favored 'General case' 0 C--N 1.32 -0.684 0 O-C-N 123.721 0.638 . . . . 0.77 112.489 -179.037 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 823' ' ' CYS . . . . . . . . . . . . . 84.5 m -74.5 -44.75 49.91 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 114.23 1.196 . . . . 0.62 114.23 -175.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 824' ' ' ALA . . . . . 0.455 ' O ' ' HB3' ' A' ' 827' ' ' TYR . . . -60.57 -36.34 78.24 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 118.788 0.722 . . . . 0.32 109.874 173.779 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 63.6 tttt -62.73 -39.27 93.56 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 115.748 -0.66 . . . . 2.6 111.234 172.241 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 73.5 ttt180 -68.79 -24.22 64.38 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.232 -0.895 . . . . 3.53 111.105 -175.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 827' ' ' TYR . . . . . 0.455 ' HB3' ' O ' ' A' ' 824' ' ' ALA . 14.3 t80 . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 115.37 -0.832 . . . . 1.49 111.292 175.085 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 796' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.233 0.193 0 CA-C-O 121.576 0.703 . . . . 1.68 110.071 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 797' ' ' LEU . . . . . . . . . . . . . 18.0 mt -93.16 148.28 22.15 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.505 -0.771 . . . . 0.55 109.967 -177.367 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 798' ' ' LEU . . . . . 0.464 HD22 ' C ' ' A' ' 798' ' ' LEU . 0.0 OUTLIER -146.94 142.22 27.33 Favored 'General case' 0 C--N 1.311 -1.078 0 N-CA-C 107.138 -1.43 . . . . 1.31 107.138 173.558 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 799' ' ' LYS . . . . . 0.441 ' HD3' ' CZ ' ' A' ' 806' ' ' TYR . 22.1 pttm -100.26 135.61 41.43 Favored 'General case' 0 C--N 1.319 -0.741 0 C-N-CA 118.329 -1.348 . . . . 1.78 113.372 -165.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 800' ' ' CYS . . . . . . . . . . . . . 1.8 t -47.38 112.03 0.49 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 112.816 -1.993 . . . . 0.3 112.051 174.487 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -68.02 21.45 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 114.121 1.156 . . . . 2.42 114.121 -177.351 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 802' ' ' TYR . . . . . 0.4 ' HB2' ' CE1' ' A' ' 818' ' ' PHE . 59.5 t80 -110.56 -41.2 4.39 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 121.633 -0.667 . . . . 0.87 109.795 169.729 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 7.5 p -114.22 -33.22 5.73 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.41 0.522 . . . . 0.29 112.41 -177.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 804' ' ' GLY . . . . . 0.414 ' C ' ' HB2' ' A' ' 799' ' ' LYS . . . 96.65 20.0 25.69 Favored Glycine 0 N--CA 1.444 -0.77 0 C-N-CA 120.383 -0.913 . . . . 0.27 111.528 178.552 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 805' ' ' LYS . . . . . . . . . . . . . 9.8 ttmm -84.77 132.28 34.45 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.535 -0.543 . . . . 2.31 109.535 -176.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 806' ' ' TYR . . . . . 0.441 ' CZ ' ' HD3' ' A' ' 799' ' ' LYS . 38.4 m-85 -85.4 131.19 34.43 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.475 0.655 . . . . 0.93 110.319 -177.699 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -152.01 153.2 31.08 Favored Pre-proline 0 C--N 1.317 -0.821 0 CA-C-N 114.624 -1.171 . . . . 0.31 109.637 -177.277 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 808' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_exo -64.53 129.48 23.88 Favored 'Trans proline' 0 N--CA 1.455 -0.782 0 C-N-CA 122.222 1.948 . . . . 0.57 110.839 178.151 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 809' ' ' ALA . . . . . 0.411 ' HB1' ' CE ' ' A' ' 816' ' ' LYS . . . -41.08 -26.22 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 114.108 1.151 . . . . 0.29 114.108 179.678 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -61.9 -25.34 67.51 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.819 0.674 . . . . 2.86 112.819 179.295 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -83.05 -4.18 58.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.488 0.661 . . . . 1.28 109.98 -177.122 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 812' ' ' PHE . . . . . 0.598 ' HB3' ' HA ' ' A' ' 816' ' ' LYS . 18.9 m-85 -96.03 49.35 1.14 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.582 0.706 . . . . 0.54 109.919 -171.466 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 6.2 mmp_? -80.0 139.47 36.97 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.061 -0.972 . . . . 4.06 108.819 175.251 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 96.5 -53.51 1.51 Allowed Glycine 0 N--CA 1.446 -0.653 0 N-CA-C 111.178 -0.769 . . . . 2.06 111.178 -174.362 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 815' ' ' SER . . . . . 0.426 ' C ' ' H ' ' A' ' 817' ' ' ARG . 77.4 p -158.02 131.9 7.93 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.735 0.302 . . . . 1.93 110.72 177.769 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 816' ' ' LYS . . . . . 0.598 ' HA ' ' HB3' ' A' ' 812' ' ' PHE . 7.4 tptm -77.45 13.68 1.17 Allowed 'General case' 0 CA--C 1.534 0.332 0 CA-C-O 121.238 0.542 . . . . 1.66 110.289 177.419 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 817' ' ' ARG . . . . . 0.426 ' H ' ' C ' ' A' ' 815' ' ' SER . 17.8 mtp180 -95.34 -37.12 11.11 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 123.81 0.844 . . . . 3.2 110.527 -175.347 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 818' ' ' PHE . . . . . 0.4 ' CE1' ' HB2' ' A' ' 802' ' ' TYR . 56.0 m-85 -129.7 165.1 22.54 Favored 'General case' 0 N--CA 1.436 -1.167 0 N-CA-C 109.407 -0.59 . . . . 0.52 109.407 -176.494 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 819' ' ' CYS . . . . . 0.412 ' HG ' ' H ' ' A' ' 819' ' ' CYS . 1.2 p -68.24 -157.95 0.02 OUTLIER 'General case' 0 C--N 1.31 -1.128 0 N-CA-C 108.413 -0.958 . . . . 1.36 108.413 168.131 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 16.2 p -68.65 -125.86 0.0 OUTLIER 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 113.283 0.846 . . . . 1.18 113.283 -160.306 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 821' ' ' MET . . . . . 0.66 ' O ' ' HG2' ' A' ' 825' ' ' LYS . 0.3 OUTLIER -82.09 -58.86 2.78 Favored 'General case' 0 C--N 1.32 -0.692 0 O-C-N 120.566 -1.334 . . . . 2.1 111.584 -167.164 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 822' ' ' THR . . . . . . . . . . . . . 32.3 m -45.46 -49.08 13.77 Favored 'General case' 0 C--N 1.322 -0.607 0 O-C-N 123.767 0.667 . . . . 0.77 112.236 -177.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 823' ' ' CYS . . . . . . . . . . . . . 5.4 t -73.19 -45.96 53.33 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.453 -0.499 . . . . 0.62 112.18 -173.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 824' ' ' ALA . . . . . . . . . . . . . . . -57.64 -38.0 74.29 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 120.727 -0.389 . . . . 0.32 110.135 175.311 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 825' ' ' LYS . . . . . 0.66 ' HG2' ' O ' ' A' ' 821' ' ' MET . 13.6 mmmm -64.78 -36.48 84.46 Favored 'General case' 0 C--N 1.341 0.214 0 CA-C-O 121.509 0.671 . . . . 2.6 110.993 175.005 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 17.8 tpt180 -68.65 -24.52 64.55 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 114.805 -1.089 . . . . 3.53 111.519 -174.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 827' ' ' TYR . . . . . . . . . . . . . 71.8 t80 . . . . . 0 C--N 1.33 -0.259 0 CA-C-O 121.217 0.532 . . . . 1.49 110.526 175.962 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 796' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.457 -0.118 0 CA-C-O 121.998 0.904 . . . . 1.68 111.654 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 797' ' ' LEU . . . . . . . . . . . . . 18.0 mt -102.93 141.11 36.28 Favored 'General case' 0 N--CA 1.438 -1.073 0 O-C-N 121.574 -0.704 . . . . 0.55 109.289 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 798' ' ' LEU . . . . . 0.456 HD22 ' C ' ' A' ' 798' ' ' LEU . 0.0 OUTLIER -144.72 143.22 30.59 Favored 'General case' 0 C--N 1.312 -1.05 0 N-CA-C 107.044 -1.465 . . . . 1.31 107.044 174.677 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 799' ' ' LYS . . . . . 0.408 ' HD3' ' CZ ' ' A' ' 806' ' ' TYR . 23.2 pttm -96.07 135.37 37.95 Favored 'General case' 0 N--CA 1.446 -0.642 0 C-N-CA 118.137 -1.425 . . . . 1.78 113.408 -166.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 800' ' ' CYS . . . . . 0.521 ' HB2' ' SG ' ' A' ' 819' ' ' CYS . 46.6 t -43.44 106.21 0.06 Allowed 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 111.965 -2.38 . . . . 0.3 111.308 170.65 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -66.46 13.31 0.05 Allowed 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 112.727 0.64 . . . . 2.42 112.727 -176.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 802' ' ' TYR . . . . . 0.57 ' HD1' ' HD1' ' A' ' 827' ' ' TYR . 68.7 t80 -103.76 -46.89 4.38 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.669 -0.493 . . . . 0.87 109.669 175.554 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 6.7 p -115.92 -24.0 8.33 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 113.07 0.767 . . . . 0.29 113.07 -179.073 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 94.52 15.89 45.06 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.093 -1.051 . . . . 0.27 113.048 173.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 805' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -87.11 135.12 33.41 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 122.602 -0.352 . . . . 2.31 110.295 -179.272 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 806' ' ' TYR . . . . . 0.408 ' CZ ' ' HD3' ' A' ' 799' ' ' LYS . 84.8 m-85 -85.48 134.33 34.05 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.072 0.463 . . . . 0.93 110.655 -178.33 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 807' ' ' ALA . . . . . 0.425 ' HB1' ' HD2' ' A' ' 808' ' ' PRO . . . -154.93 158.01 32.05 Favored Pre-proline 0 C--N 1.321 -0.665 0 CA-C-N 114.992 -1.004 . . . . 0.31 109.819 -178.24 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 808' ' ' PRO . . . . . 0.425 ' HD2' ' HB1' ' A' ' 807' ' ' ALA . 44.0 Cg_endo -68.28 130.29 20.94 Favored 'Trans proline' 0 N--CA 1.461 -0.413 0 C-N-CA 122.391 2.061 . . . . 0.57 111.323 -178.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 809' ' ' ALA . . . . . . . . . . . . . . . -44.46 -28.88 0.62 Allowed 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 115.059 -0.973 . . . . 0.29 113.566 -179.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 -57.25 -33.34 67.48 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 116.043 -0.526 . . . . 2.86 111.329 178.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 20.7 tt0 -77.89 -26.8 49.36 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.946 -0.57 . . . . 1.28 110.215 -177.123 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 812' ' ' PHE . . . . . 0.606 ' HB3' ' HA ' ' A' ' 816' ' ' LYS . 24.0 m-85 -69.0 62.5 0.11 Allowed 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.913 0.708 . . . . 0.54 112.913 178.4 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 6.3 mmp_? -78.4 140.1 38.73 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.399 -0.819 . . . . 4.06 109.443 172.163 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 95.24 -58.23 1.69 Allowed Glycine 0 N--CA 1.446 -0.69 0 N-CA-C 110.881 -0.888 . . . . 2.06 110.881 -175.132 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 815' ' ' SER . . . . . 0.629 ' HB3' ' HE ' ' A' ' 817' ' ' ARG . 65.8 m -154.07 133.8 12.96 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.589 0.233 . . . . 1.93 110.891 176.78 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 816' ' ' LYS . . . . . 0.606 ' HA ' ' HB3' ' A' ' 812' ' ' PHE . 0.0 OUTLIER -76.0 54.44 0.84 Allowed 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.346 -0.612 . . . . 1.66 109.346 172.781 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 817' ' ' ARG . . . . . 0.629 ' HE ' ' HB3' ' A' ' 815' ' ' SER . 70.8 mtm180 -142.94 -32.43 0.48 Allowed 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.276 -0.875 . . . . 3.2 109.564 -172.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 818' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -133.95 135.73 43.72 Favored 'General case' 0 CA--C 1.516 -0.351 0 N-CA-C 109.283 -0.636 . . . . 0.52 109.283 -177.143 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 819' ' ' CYS . . . . . 0.521 ' SG ' ' HB2' ' A' ' 800' ' ' CYS . 1.8 p -74.7 102.57 4.67 Favored 'General case' 0 N--CA 1.438 -1.058 0 C-N-CA 119.738 -0.785 . . . . 1.36 110.656 -174.611 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 52.7 p 84.92 -154.63 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.464 1.105 . . . . 1.18 110.164 161.294 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 821' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -81.15 -56.3 4.18 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 111.916 0.339 . . . . 2.1 111.916 -171.497 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 822' ' ' THR . . . . . . . . . . . . . 28.2 m -44.84 -53.98 6.9 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 112.989 0.737 . . . . 0.77 112.989 178.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 823' ' ' CYS . . . . . . . . . . . . . 92.0 m -68.03 -46.89 69.91 Favored 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 113.071 0.767 . . . . 0.62 113.071 -174.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 824' ' ' ALA . . . . . . . . . . . . . . . -60.4 -42.56 96.21 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.445 0.641 . . . . 0.32 110.231 178.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -62.7 -45.72 91.44 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 114.961 -1.018 . . . . 2.6 111.289 177.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 43.9 ttp180 -77.03 -14.36 59.84 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 116.267 -0.424 . . . . 3.53 111.899 -168.257 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 827' ' ' TYR . . . . . 0.57 ' HD1' ' HD1' ' A' ' 802' ' ' TYR . 36.1 t80 . . . . . 0 C--N 1.33 -0.242 0 CA-C-O 121.021 0.438 . . . . 1.49 110.945 -178.316 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 796' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 CA-C-O 121.25 0.548 . . . . 1.68 110.24 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 797' ' ' LEU . . . . . . . . . . . . . 36.9 mt -95.46 144.91 25.57 Favored 'General case' 0 N--CA 1.437 -1.098 0 CA-C-O 121.175 0.512 . . . . 0.55 109.899 -176.615 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 798' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -146.52 177.86 8.73 Favored 'General case' 0 C--N 1.308 -1.226 0 N-CA-C 105.108 -2.182 . . . . 1.31 105.108 175.035 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 799' ' ' LYS . . . . . 0.507 ' HD2' ' O ' ' A' ' 804' ' ' GLY . 63.2 pttt -144.41 139.97 28.72 Favored 'General case' 0 N--CA 1.439 -1.012 0 C-N-CA 116.499 -2.081 . . . . 1.78 114.213 -174.231 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 800' ' ' CYS . . . . . 0.591 ' HB2' ' SG ' ' A' ' 819' ' ' CYS . 6.4 t -36.57 111.99 0.17 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 111.176 -2.738 . . . . 0.3 113.4 174.52 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -56.36 -6.45 0.28 Allowed 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 115.204 -0.907 . . . . 2.42 112.803 172.694 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 802' ' ' TYR . . . . . . . . . . . . . 60.0 t80 -102.43 -48.59 4.12 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 121.383 -0.823 . . . . 0.87 111.266 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 803' ' ' CYS . . . . . 0.501 ' SG ' ' SG ' ' A' ' 800' ' ' CYS . 4.6 p -113.43 -26.98 8.08 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 112.988 0.736 . . . . 0.29 112.988 -176.133 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 804' ' ' GLY . . . . . 0.507 ' O ' ' HD2' ' A' ' 799' ' ' LYS . . . 92.46 18.71 40.82 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 119.65 -1.262 . . . . 0.27 112.612 172.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 805' ' ' LYS . . . . . . . . . . . . . 20.6 ttmt -81.15 134.89 35.71 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 120.662 0.267 . . . . 2.31 110.32 178.539 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 806' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -86.0 137.69 32.52 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.434 -0.803 . . . . 0.93 109.987 -179.578 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 807' ' ' ALA . . . . . 0.431 ' HB1' ' HD2' ' A' ' 808' ' ' PRO . . . -158.42 158.1 29.37 Favored Pre-proline 0 N--CA 1.441 -0.91 0 CA-C-N 115.067 -0.969 . . . . 0.31 110.49 -177.322 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 808' ' ' PRO . . . . . 0.641 ' HB2' ' CD ' ' A' ' 810' ' ' GLU . 35.7 Cg_endo -65.0 128.07 19.9 Favored 'Trans proline' 0 N--CA 1.462 -0.374 0 C-N-CA 122.737 2.291 . . . . 0.57 110.477 176.585 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 809' ' ' ALA . . . . . . . . . . . . . . . -43.7 -31.78 0.86 Allowed 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 114.327 1.232 . . . . 0.29 114.327 -177.176 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 810' ' ' GLU . . . . . 0.641 ' CD ' ' HB2' ' A' ' 808' ' ' PRO . 7.5 pm0 -62.26 -24.61 67.37 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 120.966 0.412 . . . . 2.86 111.622 -179.783 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -79.06 -30.01 43.79 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-O 121.085 0.469 . . . . 1.28 110.085 -179.052 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 812' ' ' PHE . . . . . 0.761 ' HB3' ' HA ' ' A' ' 816' ' ' LYS . 61.3 m-85 -70.06 67.65 0.29 Allowed 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.63 -0.714 . . . . 0.54 112.503 179.109 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 30.1 mtm180 -75.36 -0.35 19.54 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.347 -0.842 . . . . 4.06 110.169 175.449 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . -94.73 46.82 2.09 Favored Glycine 0 N--CA 1.446 -0.64 0 N-CA-C 111.342 -0.703 . . . . 2.06 111.342 172.578 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 8.5 m 58.89 32.27 22.08 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 123.038 0.535 . . . . 1.93 112.267 177.303 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 816' ' ' LYS . . . . . 0.761 ' HA ' ' HB3' ' A' ' 812' ' ' PHE . 95.6 mttt 54.46 49.14 18.99 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 121.613 0.72 . . . . 1.66 111.725 170.157 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 817' ' ' ARG . . . . . . . . . . . . . 34.2 mmt180 -140.02 -34.67 0.54 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.827 -1.079 . . . . 3.2 108.346 178.069 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 818' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -133.05 136.33 45.89 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.399 -0.819 . . . . 0.52 108.911 175.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 819' ' ' CYS . . . . . 0.591 ' SG ' ' HB2' ' A' ' 800' ' ' CYS . 1.6 p -75.14 104.28 5.65 Favored 'General case' 0 N--CA 1.441 -0.88 0 C-N-CA 120.606 -0.438 . . . . 1.36 111.453 -173.292 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 22.9 t 87.41 -154.9 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 122.906 0.482 . . . . 1.18 110.129 162.093 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 821' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -84.54 -62.54 1.53 Allowed 'General case' 0 N--CA 1.466 0.368 0 O-C-N 122.203 -0.311 . . . . 2.1 111.749 -174.433 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 822' ' ' THR . . . . . 0.568 ' O ' ' HB2' ' A' ' 826' ' ' ARG . 1.4 m -44.89 -44.14 9.41 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 123.988 0.915 . . . . 0.77 112.913 178.823 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 823' ' ' CYS . . . . . 0.512 ' HB2' ' O ' ' A' ' 819' ' ' CYS . 97.3 m -74.67 -42.96 57.51 Favored 'General case' 0 C--N 1.313 -1.016 0 N-CA-C 112.806 0.669 . . . . 0.62 112.806 -178.821 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 824' ' ' ALA . . . . . . . . . . . . . . . -61.03 -44.54 97.25 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 121.119 -0.232 . . . . 0.32 111.144 178.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 825' ' ' LYS . . . . . 0.503 ' HG3' ' O ' ' A' ' 822' ' ' THR . 0.0 OUTLIER -66.2 -31.4 72.21 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 121.813 0.816 . . . . 2.6 110.063 179.611 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 826' ' ' ARG . . . . . 0.568 ' HB2' ' O ' ' A' ' 822' ' ' THR . 62.8 ttt180 -68.75 -22.68 64.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 114.388 -1.278 . . . . 3.53 111.377 -174.384 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 827' ' ' TYR . . . . . . . . . . . . . 13.1 t80 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 115.502 -0.772 . . . . 1.49 112.203 179.646 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 796' ' ' ASN . . . . . . . . . . . . . 6.4 p30 . . . . . 0 C--O 1.234 0.242 0 CA-C-O 121.213 0.53 . . . . 1.68 109.699 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 797' ' ' LEU . . . . . . . . . . . . . 16.0 mt -90.03 149.13 22.66 Favored 'General case' 0 N--CA 1.444 -0.767 0 CA-C-O 121.448 0.642 . . . . 0.55 111.024 -168.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 798' ' ' LEU . . . . . 0.426 HD22 ' C ' ' A' ' 798' ' ' LEU . 0.0 OUTLIER -148.53 165.52 30.97 Favored 'General case' 0 C--N 1.31 -1.14 0 N-CA-C 105.398 -2.075 . . . . 1.31 105.398 171.293 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 799' ' ' LYS . . . . . 0.666 ' HD3' ' CZ ' ' A' ' 806' ' ' TYR . 63.2 pttt -123.23 139.04 54.46 Favored 'General case' 0 C--N 1.32 -0.674 0 C-N-CA 117.188 -1.805 . . . . 1.78 113.619 -167.686 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 800' ' ' CYS . . . . . 0.522 ' HG ' ' HG ' ' A' ' 803' ' ' CYS . 17.4 t -47.14 103.82 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 112.01 -2.359 . . . . 0.3 111.203 172.716 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -67.4 19.92 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 113.404 0.89 . . . . 2.42 113.404 -176.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 802' ' ' TYR . . . . . 0.411 ' H ' ' C ' ' A' ' 800' ' ' CYS . 42.4 t80 -106.95 -41.0 5.31 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.738 -0.467 . . . . 0.87 109.738 172.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 803' ' ' CYS . . . . . 0.522 ' HG ' ' HG ' ' A' ' 800' ' ' CYS . 5.4 p -116.37 -33.96 4.77 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 115.907 -0.588 . . . . 0.29 112.361 179.717 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 99.96 22.09 12.71 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.407 -0.901 . . . . 0.27 113.176 176.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 805' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp -82.98 129.44 35.03 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 117.349 0.574 . . . . 2.31 110.863 -179.18 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 806' ' ' TYR . . . . . 0.666 ' CZ ' ' HD3' ' A' ' 799' ' ' LYS . 98.4 m-85 -87.04 126.63 34.87 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.451 -0.574 . . . . 0.93 109.451 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 807' ' ' ALA . . . . . 0.505 ' HB1' ' HD2' ' A' ' 808' ' ' PRO . . . -153.32 161.27 29.55 Favored Pre-proline 0 C--N 1.318 -0.792 0 CA-C-N 115.39 -0.823 . . . . 0.31 109.613 -174.708 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 808' ' ' PRO . . . . . 0.682 ' HB2' ' HG2' ' A' ' 810' ' ' GLU . 35.8 Cg_endo -67.91 129.23 19.23 Favored 'Trans proline' 0 N--CA 1.458 -0.559 0 C-N-CA 121.976 1.784 . . . . 0.57 111.131 -178.072 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 809' ' ' ALA . . . . . . . . . . . . . . . -44.07 -26.5 0.3 Allowed 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 113.783 1.031 . . . . 0.29 113.783 -178.541 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 810' ' ' GLU . . . . . 0.682 ' HG2' ' HB2' ' A' ' 808' ' ' PRO . 11.0 pt-20 -60.38 -26.74 66.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.953 0.406 . . . . 2.86 111.654 179.739 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -82.14 -28.73 32.0 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.157 -0.474 . . . . 1.28 109.883 -176.088 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 812' ' ' PHE . . . . . 0.705 ' HB3' ' HA ' ' A' ' 816' ' ' LYS . 12.2 m-85 -68.89 63.43 0.12 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.249 -0.887 . . . . 0.54 111.87 176.715 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 75.4 mtt180 -78.0 137.94 38.56 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 114.387 -1.278 . . . . 4.06 110.696 177.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 96.92 -66.7 0.92 Allowed Glycine 0 N--CA 1.442 -0.944 0 N-CA-C 110.436 -1.066 . . . . 2.06 110.436 -170.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 70.5 m -150.18 135.28 17.86 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 110.681 -0.118 . . . . 1.93 110.681 177.367 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 816' ' ' LYS . . . . . 0.705 ' HA ' ' HB3' ' A' ' 812' ' ' PHE . 1.0 OUTLIER -75.62 67.66 2.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.564 0.697 . . . . 1.66 109.911 174.799 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 817' ' ' ARG . . . . . . . . . . . . . 82.9 mtp180 -145.07 -34.8 0.34 Allowed 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.061 -0.972 . . . . 3.2 108.91 -175.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 818' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -135.65 155.41 50.47 Favored 'General case' 0 N--CA 1.442 -0.845 0 N-CA-C 108.431 -0.952 . . . . 0.52 108.431 178.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 819' ' ' CYS . . . . . 0.475 ' SG ' ' SG ' ' A' ' 800' ' ' CYS . 0.8 OUTLIER -68.57 -159.48 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.033 -0.729 . . . . 1.36 109.033 172.929 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 33.2 p -64.66 -116.94 0.0 OUTLIER 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 114.258 1.207 . . . . 1.18 114.258 -157.145 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 821' ' ' MET . . . . . . . . . . . . . 1.6 mmt -85.76 -62.0 1.63 Allowed 'General case' 0 C--N 1.321 -0.632 0 O-C-N 120.931 -1.106 . . . . 2.1 111.635 -165.552 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 822' ' ' THR . . . . . 0.489 ' O ' ' HB2' ' A' ' 826' ' ' ARG . 3.7 m -45.77 -50.48 13.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 123.764 0.665 . . . . 0.77 112.568 -179.232 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 823' ' ' CYS . . . . . . . . . . . . . 57.3 m -71.11 -49.81 40.31 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 113.767 1.025 . . . . 0.62 113.767 -176.072 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 824' ' ' ALA . . . . . . . . . . . . . . . -60.26 -44.51 95.22 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 120.4 -0.52 . . . . 0.32 110.768 178.4 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 825' ' ' LYS . . . . . 0.436 ' HE3' ' HB2' ' A' ' 825' ' ' LYS . 0.0 OUTLIER -67.52 -26.14 66.19 Favored 'General case' 0 C--O 1.227 -0.095 0 C-N-CA 120.851 -0.339 . . . . 2.6 110.873 178.739 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 826' ' ' ARG . . . . . 0.489 ' HB2' ' O ' ' A' ' 822' ' ' THR . 24.8 tpp180 -66.64 -31.71 72.57 Favored 'General case' 0 CA--C 1.521 -0.166 0 CA-C-O 121.235 0.54 . . . . 3.53 110.514 -176.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 827' ' ' TYR . . . . . . . . . . . . . 29.8 t80 . . . . . 0 C--N 1.325 -0.476 0 CA-C-N 115.578 -0.737 . . . . 1.49 109.855 179.829 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 796' ' ' ASN . . . . . 0.531 ' N ' HD22 ' A' ' 796' ' ' ASN . 0.0 OUTLIER . . . . . 0 CA--C 1.514 -0.413 0 N-CA-C 108.135 -1.061 . . . . 1.68 108.135 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 797' ' ' LEU . . . . . . . . . . . . . 11.1 mt -104.76 144.57 31.56 Favored 'General case' 0 N--CA 1.435 -1.213 0 CA-C-O 121.699 0.761 . . . . 0.55 111.076 -169.284 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 798' ' ' LEU . . . . . 0.463 HD23 ' H ' ' A' ' 798' ' ' LEU . 1.7 pt? -145.29 -177.02 5.34 Favored 'General case' 0 C--N 1.304 -1.371 0 N-CA-C 104.786 -2.301 . . . . 1.31 104.786 174.052 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 799' ' ' LYS . . . . . 0.979 ' HD3' ' HA2' ' A' ' 804' ' ' GLY . 0.0 OUTLIER -145.86 141.55 27.97 Favored 'General case' 0 N--CA 1.437 -1.097 0 C-N-CA 116.175 -2.21 . . . . 1.78 115.435 -175.556 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 800' ' ' CYS . . . . . 0.524 ' SG ' ' SG ' ' A' ' 819' ' ' CYS . 28.0 t -45.39 104.69 0.05 OUTLIER 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 110.608 -2.996 . . . . 0.3 111.67 175.002 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 42.6 mm-40 -64.29 12.38 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 114.035 1.124 . . . . 2.42 114.035 -178.329 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 802' ' ' TYR . . . . . 0.433 ' HB2' ' CE1' ' A' ' 818' ' ' PHE . 35.5 t80 -104.58 -41.89 5.58 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 109.822 -0.436 . . . . 0.87 109.822 175.436 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 803' ' ' CYS . . . . . 0.411 ' SG ' ' SG ' ' A' ' 800' ' ' CYS . 5.3 p -118.52 -24.84 6.65 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 113.258 0.836 . . . . 0.29 113.258 -179.796 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 804' ' ' GLY . . . . . 0.979 ' HA2' ' HD3' ' A' ' 799' ' ' LYS . . . 93.44 17.85 40.87 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 119.862 -1.161 . . . . 0.27 112.917 175.315 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 805' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -82.38 126.75 32.54 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.747 0.308 . . . . 2.31 110.669 -178.362 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 806' ' ' TYR . . . . . 0.423 ' HA ' ' HB3' ' A' ' 799' ' ' LYS . 64.5 m-85 -89.21 132.13 35.01 Favored 'General case' 0 CA--C 1.513 -0.469 0 CA-C-N 115.616 -0.72 . . . . 0.93 110.151 -174.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 807' ' ' ALA . . . . . 0.666 ' HB1' ' HD2' ' A' ' 808' ' ' PRO . . . -160.63 168.3 12.06 Favored Pre-proline 0 C--N 1.317 -0.843 0 CA-C-N 114.917 -1.038 . . . . 0.31 110.118 -174.179 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 808' ' ' PRO . . . . . 0.666 ' HD2' ' HB1' ' A' ' 807' ' ' ALA . 32.4 Cg_endo -70.05 132.04 22.06 Favored 'Trans proline' 0 N--CA 1.455 -0.778 0 C-N-CA 121.654 1.57 . . . . 0.57 111.211 -179.114 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 809' ' ' ALA . . . . . 0.417 ' O ' ' HB2' ' A' ' 812' ' ' PHE . . . -41.84 -27.84 0.13 Allowed 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 114.785 -1.098 . . . . 0.29 113.886 178.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 26.6 tp10 -60.67 -37.56 81.98 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 112.849 0.685 . . . . 2.86 112.849 -178.258 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 811' ' ' GLN . . . . . 0.48 ' C ' ' H ' ' A' ' 813' ' ' ARG . 6.4 pt20 -76.81 -21.39 55.16 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 109.486 -0.561 . . . . 1.28 109.486 -175.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 812' ' ' PHE . . . . . 0.6 ' HB3' ' HA ' ' A' ' 816' ' ' LYS . 7.7 m-85 -70.72 32.57 0.04 OUTLIER 'General case' 0 C--O 1.222 -0.35 0 CA-C-N 115.54 -0.755 . . . . 0.54 112.246 173.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 813' ' ' ARG . . . . . 0.48 ' H ' ' C ' ' A' ' 811' ' ' GLN . 7.5 ptm180 -78.21 158.18 29.08 Favored 'General case' 0 C--N 1.309 -1.155 0 N-CA-C 109.013 -0.736 . . . . 4.06 109.013 178.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 88.45 -30.62 5.19 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.555 -0.831 . . . . 2.06 112.722 -173.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 9.7 t -145.03 -44.65 0.23 Allowed 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 113.062 0.764 . . . . 1.93 113.062 -175.205 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 816' ' ' LYS . . . . . 0.6 ' HA ' ' HB3' ' A' ' 812' ' ' PHE . 24.1 ttmm 53.06 55.33 9.05 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 123.143 1.449 . . . . 1.66 108.937 -169.756 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 817' ' ' ARG . . . . . . . . . . . . . 71.8 mtp180 -155.13 -37.19 0.09 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 112.139 -2.3 . . . . 3.2 108.128 -177.295 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 818' ' ' PHE . . . . . 0.433 ' CE1' ' HB2' ' A' ' 802' ' ' TYR . 79.7 m-85 -133.12 170.19 15.77 Favored 'General case' 0 N--CA 1.441 -0.909 0 CA-C-N 115.004 -0.998 . . . . 0.52 108.803 176.529 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 819' ' ' CYS . . . . . 0.524 ' SG ' ' SG ' ' A' ' 800' ' ' CYS . 0.9 OUTLIER -68.87 -158.2 0.02 OUTLIER 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 108.124 -1.065 . . . . 1.36 108.124 166.069 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 73.9 p -69.79 -134.71 0.0 OUTLIER 'General case' 0 CA--C 1.55 0.953 0 N-CA-C 113.363 0.875 . . . . 1.18 113.363 -161.361 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 821' ' ' MET . . . . . . . . . . . . . 32.4 mmt -75.96 -58.26 3.39 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 121.218 -0.926 . . . . 2.1 112.432 -161.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 822' ' ' THR . . . . . . . . . . . . . 25.8 m -45.61 -49.77 13.88 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.639 0.607 . . . . 0.77 112.639 -179.659 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 823' ' ' CYS . . . . . . . . . . . . . 87.5 m -71.24 -52.26 20.02 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 113.167 0.803 . . . . 0.62 113.167 -177.254 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 824' ' ' ALA . . . . . . . . . . . . . . . -57.66 -49.07 77.69 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-O 120.525 0.202 . . . . 0.32 111.261 -179.744 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -64.07 -31.46 72.66 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-O 121.014 0.435 . . . . 2.6 111.021 -177.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 47.6 ttt180 -71.8 -24.83 61.79 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.244 -0.434 . . . . 3.53 111.069 -173.696 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 827' ' ' TYR . . . . . . . . . . . . . 82.2 t80 . . . . . 0 CA--C 1.535 0.387 0 CA-C-O 121.198 0.523 . . . . 1.49 111.379 -179.074 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 796' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.235 0.329 0 CA-C-O 121.609 0.718 . . . . 1.68 109.81 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 797' ' ' LEU . . . . . . . . . . . . . 20.3 mt -97.21 146.9 24.65 Favored 'General case' 0 N--CA 1.443 -0.825 0 CA-C-N 115.49 -0.777 . . . . 0.55 110.869 -175.545 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 798' ' ' LEU . . . . . 0.448 HD22 ' C ' ' A' ' 798' ' ' LEU . 0.0 OUTLIER -146.28 179.7 7.33 Favored 'General case' 0 C--N 1.31 -1.142 0 N-CA-C 105.444 -2.058 . . . . 1.31 105.444 171.856 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 799' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.03 142.82 32.91 Favored 'General case' 0 C--N 1.316 -0.885 0 C-N-CA 117.406 -1.718 . . . . 1.78 113.291 -175.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 800' ' ' CYS . . . . . 0.511 ' HB2' ' SG ' ' A' ' 819' ' ' CYS . 42.6 t -46.85 114.46 0.84 Allowed 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 111.702 -2.499 . . . . 0.3 112.237 177.53 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -61.82 3.76 0.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 113.196 0.813 . . . . 2.42 113.196 178.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 802' ' ' TYR . . . . . . . . . . . . . 24.4 t80 -103.92 -49.09 3.72 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 121.981 -0.449 . . . . 0.87 110.331 178.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 5.5 p -113.74 -29.12 7.21 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.757 0.651 . . . . 0.29 112.757 -178.097 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 94.74 22.25 24.11 Favored Glycine 0 C--N 1.321 -0.283 0 C-N-CA 120.178 -1.01 . . . . 0.27 112.79 175.197 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 805' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -77.6 125.35 29.2 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 110.172 -0.307 . . . . 2.31 110.172 178.299 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 806' ' ' TYR . . . . . . . . . . . . . 70.7 m-85 -87.47 130.79 34.56 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.183 -0.673 . . . . 0.93 109.183 -177.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 807' ' ' ALA . . . . . 0.497 ' HB3' ' CE1' ' A' ' 812' ' ' PHE . . . -158.36 161.2 29.02 Favored Pre-proline 0 C--N 1.317 -0.833 0 CA-C-N 115.624 -0.717 . . . . 0.31 110.185 -173.557 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 808' ' ' PRO . . . . . 0.468 ' HD2' ' HB1' ' A' ' 807' ' ' ALA . 19.2 Cg_endo -61.24 133.94 49.44 Favored 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 122.341 2.028 . . . . 0.57 110.964 176.577 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 809' ' ' ALA . . . . . 0.408 ' HA ' HD11 ' A' ' 798' ' ' LEU . . . -44.03 -38.03 3.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.143 -0.935 . . . . 0.29 111.791 177.661 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -63.19 -27.85 69.65 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 114.722 -1.126 . . . . 2.86 111.492 -178.223 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 811' ' ' GLN . . . . . 0.419 ' HB2' ' HG2' ' A' ' 808' ' ' PRO . 0.0 OUTLIER -79.25 -28.63 42.41 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.775 -0.648 . . . . 1.28 109.789 -177.003 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 812' ' ' PHE . . . . . 0.571 ' HB3' ' HA ' ' A' ' 816' ' ' LYS . 75.4 m-85 -71.81 71.45 0.76 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.839 -0.619 . . . . 0.54 111.596 176.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 29.8 mtp180 -70.91 -5.05 27.8 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.649 -0.705 . . . . 4.06 109.816 174.355 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . -88.99 48.73 3.5 Favored Glycine 0 N--CA 1.447 -0.626 0 N-CA-C 111.374 -0.69 . . . . 2.06 111.374 172.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 815' ' ' SER . . . . . 0.421 ' CB ' HH21 ' A' ' 817' ' ' ARG . 9.0 t 56.24 42.13 28.39 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-O 121.352 0.596 . . . . 1.93 111.529 177.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 816' ' ' LYS . . . . . 0.571 ' HA ' ' HB3' ' A' ' 812' ' ' PHE . 31.7 mmtp 55.58 35.51 25.33 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 114.806 -1.088 . . . . 1.66 111.874 164.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 817' ' ' ARG . . . . . 0.423 ' O ' ' HA ' ' A' ' 800' ' ' CYS . 63.9 mtm180 -144.01 -28.77 0.51 Allowed 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.791 -0.64 . . . . 3.2 110.01 -175.278 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 818' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -136.72 136.06 38.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.229 0.538 . . . . 0.52 110.009 177.044 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 819' ' ' CYS . . . . . 0.547 ' O ' ' HB2' ' A' ' 823' ' ' CYS . 1.2 p -76.43 106.79 8.27 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.226 -0.897 . . . . 1.36 111.465 -172.558 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 820' ' ' SER . . . . . 0.443 ' HB3' ' O ' ' A' ' 819' ' ' CYS . 30.8 t 89.83 -163.89 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 109.647 -0.501 . . . . 1.18 109.647 164.08 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 821' ' ' MET . . . . . 0.667 ' O ' ' HG2' ' A' ' 825' ' ' LYS . 31.5 mmt -83.07 -59.05 2.6 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.649 0.261 . . . . 2.1 110.456 -176.438 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 822' ' ' THR . . . . . . . . . . . . . 14.1 m -43.78 -47.17 7.97 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 123.812 0.845 . . . . 0.77 112.938 178.17 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 823' ' ' CYS . . . . . 0.547 ' HB2' ' O ' ' A' ' 819' ' ' CYS . 91.0 m -71.11 -47.78 56.09 Favored 'General case' 0 C--N 1.314 -0.955 0 N-CA-C 111.984 0.364 . . . . 0.62 111.984 -176.494 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 824' ' ' ALA . . . . . . . . . . . . . . . -61.42 -41.74 97.65 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-O 120.891 0.377 . . . . 0.32 110.346 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 825' ' ' LYS . . . . . 0.667 ' HG2' ' O ' ' A' ' 821' ' ' MET . 14.1 mmmm -66.94 -30.26 70.34 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-N 116.127 -0.488 . . . . 2.6 111.851 179.561 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 66.9 ttt180 -72.43 -24.62 61.25 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.456 0.646 . . . . 3.53 110.019 -176.531 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 827' ' ' TYR . . . . . . . . . . . . . 69.6 t80 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 115.288 -0.869 . . . . 1.49 109.34 174.803 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 796' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.233 0.205 0 CA-C-O 121.451 0.643 . . . . 1.68 109.512 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 797' ' ' LEU . . . . . . . . . . . . . 43.7 mt -100.8 151.67 21.42 Favored 'General case' 0 N--CA 1.439 -1.003 0 CA-C-O 121.687 0.756 . . . . 0.55 110.625 -173.308 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 798' ' ' LEU . . . . . 0.408 HD23 ' H ' ' A' ' 798' ' ' LEU . 1.6 pt? -149.95 -178.5 6.51 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 104.685 -2.339 . . . . 1.31 104.685 173.218 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 799' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.06 142.57 27.57 Favored 'General case' 0 C--N 1.314 -0.969 0 C-N-CA 116.655 -2.018 . . . . 1.78 114.334 -174.503 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 800' ' ' CYS . . . . . 0.573 ' HA ' ' HA ' ' A' ' 818' ' ' PHE . 5.5 t -40.6 107.43 0.07 Allowed 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 111.54 -2.573 . . . . 0.3 112.732 176.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -61.33 0.53 0.27 Allowed 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 123.319 0.648 . . . . 2.42 112.344 176.077 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 802' ' ' TYR . . . . . . . . . . . . . 62.9 t80 -103.0 -48.41 4.06 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 122.063 -0.398 . . . . 0.87 110.605 178.578 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 7.7 p -115.47 -29.88 6.39 Favored 'General case' 0 N--CA 1.466 0.325 0 N-CA-C 112.68 0.622 . . . . 0.29 112.68 -178.478 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 804' ' ' GLY . . . . . 0.475 ' H ' ' HB3' ' A' ' 800' ' ' CYS . . . 97.99 21.54 17.95 Favored Glycine 0 C--N 1.322 -0.232 0 C-N-CA 120.658 -0.782 . . . . 0.27 113.759 172.196 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 805' ' ' LYS . . . . . 0.431 ' HA ' ' HD2' ' A' ' 805' ' ' LYS . 11.3 mmmm -81.76 131.35 35.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 117.439 0.619 . . . . 2.31 110.265 179.81 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 806' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -84.5 131.18 34.67 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.015 -0.539 . . . . 0.93 109.683 -177.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 807' ' ' ALA . . . . . 0.443 ' HB1' ' NE2' ' A' ' 811' ' ' GLN . . . -162.36 165.31 15.78 Favored Pre-proline 0 N--CA 1.445 -0.707 0 CA-C-N 115.38 -0.827 . . . . 0.31 110.204 -171.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 808' ' ' PRO . . . . . 0.51 ' HD2' ' OE1' ' A' ' 811' ' ' GLN . 14.7 Cg_exo -71.3 135.34 26.64 Favored 'Trans proline' 0 CA--C 1.517 -0.348 0 C-N-CA 122.683 2.255 . . . . 0.57 111.549 -177.206 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 809' ' ' ALA . . . . . . . . . . . . . . . -45.02 -23.8 0.18 Allowed 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 115.447 -0.797 . . . . 0.29 113.073 176.303 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -57.05 -53.43 58.22 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 114.026 1.121 . . . . 2.86 114.026 -177.516 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 811' ' ' GLN . . . . . 0.51 ' OE1' ' HD2' ' A' ' 808' ' ' PRO . 4.1 pm0 -87.17 23.88 1.71 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 118.682 0.673 . . . . 1.28 110.7 -177.535 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 812' ' ' PHE . . . . . 0.44 ' HB3' ' HD3' ' A' ' 816' ' ' LYS . 8.4 m-85 -96.13 53.98 1.41 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.962 0.887 . . . . 0.54 108.704 172.033 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 813' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' A' ' 813' ' ' ARG . 50.2 mtm180 -73.59 147.05 44.23 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.044 -1.435 . . . . 4.06 111.476 179.417 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 83.14 -68.8 3.49 Favored Glycine 0 N--CA 1.448 -0.525 0 CA-C-N 115.8 -0.636 . . . . 2.06 111.598 179.514 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 20.6 m -125.15 115.31 20.25 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 109.864 -0.421 . . . . 1.93 109.864 178.572 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 816' ' ' LYS . . . . . 0.44 ' HD3' ' HB3' ' A' ' 812' ' ' PHE . 3.1 tppp? -75.78 56.11 0.92 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 122.064 0.935 . . . . 1.66 108.84 176.639 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 817' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -142.28 -33.56 0.48 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 114.351 -1.295 . . . . 3.2 109.683 -171.447 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 818' ' ' PHE . . . . . 0.573 ' HA ' ' HA ' ' A' ' 800' ' ' CYS . 21.1 m-85 -134.06 146.14 50.04 Favored 'General case' 0 CA--C 1.515 -0.38 0 N-CA-C 109.208 -0.664 . . . . 0.52 109.208 -172.076 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 819' ' ' CYS . . . . . 0.559 ' SG ' ' HB2' ' A' ' 800' ' ' CYS . 1.6 p -74.77 101.43 4.33 Favored 'General case' 0 N--CA 1.441 -0.88 0 C-N-CA 119.572 -0.851 . . . . 1.36 110.93 -177.801 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 20.9 t 88.11 -155.26 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.35 0.66 . . . . 1.18 110.393 161.568 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 821' ' ' MET . . . . . 0.625 ' O ' ' HG2' ' A' ' 825' ' ' LYS . 3.1 mmt -84.21 -59.69 2.32 Favored 'General case' 0 C--O 1.223 -0.306 0 N-CA-C 112.56 0.578 . . . . 2.1 112.56 -172.296 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 822' ' ' THR . . . . . 0.412 ' O ' ' HB2' ' A' ' 826' ' ' ARG . 13.5 m -44.88 -41.96 7.58 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 123.252 0.621 . . . . 0.77 112.394 178.437 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 823' ' ' CYS . . . . . 0.439 ' HB3' ' HB3' ' A' ' 818' ' ' PHE . 97.1 m -72.63 -41.61 65.33 Favored 'General case' 0 C--N 1.315 -0.908 0 N-CA-C 112.216 0.45 . . . . 0.62 112.216 -179.306 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 824' ' ' ALA . . . . . . . . . . . . . . . -59.03 -44.7 91.78 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.136 0.493 . . . . 0.32 109.74 174.004 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 825' ' ' LYS . . . . . 0.625 ' HG2' ' O ' ' A' ' 821' ' ' MET . 31.7 mmmt -62.24 -44.62 96.15 Favored 'General case' 0 N--CA 1.456 -0.126 0 CA-C-O 121.811 0.815 . . . . 2.6 111.273 178.703 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 826' ' ' ARG . . . . . 0.412 ' HB2' ' O ' ' A' ' 822' ' ' THR . 22.8 tpt180 -66.45 -21.99 66.2 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-N 114.33 -1.305 . . . . 3.53 110.92 -171.829 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 827' ' ' TYR . . . . . . . . . . . . . 21.5 t80 . . . . . 0 N--CA 1.452 -0.329 0 CA-C-N 115.456 -0.793 . . . . 1.49 111.178 178.778 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 796' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.45 -0.463 0 CA-C-O 121.296 0.569 . . . . 1.68 109.661 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 797' ' ' LEU . . . . . . . . . . . . . 21.9 mt -97.54 144.95 26.72 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 115.73 -0.668 . . . . 0.55 110.466 -176.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 798' ' ' LEU . . . . . 0.475 HD22 ' C ' ' A' ' 798' ' ' LEU . 0.0 OUTLIER -145.64 149.3 34.23 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 106.985 -1.487 . . . . 1.31 106.985 173.358 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 799' ' ' LYS . . . . . 0.561 ' H ' ' HD3' ' A' ' 799' ' ' LYS . 0.0 OUTLIER -109.46 135.52 50.36 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 117.489 -1.684 . . . . 1.78 113.878 -167.216 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 800' ' ' CYS . . . . . 0.683 ' HB2' ' SG ' ' A' ' 819' ' ' CYS . 43.9 t -39.07 109.45 0.11 Allowed 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 112.006 -2.361 . . . . 0.3 112.227 171.808 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -62.62 6.0 0.1 Allowed 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 113.609 0.966 . . . . 2.42 113.609 178.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 802' ' ' TYR . . . . . . . . . . . . . 26.7 t80 -105.84 -42.08 5.24 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.291 -0.563 . . . . 0.87 110.451 177.123 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 803' ' ' CYS . . . . . 0.509 ' HG ' ' HG ' ' A' ' 800' ' ' CYS . 9.5 p -116.59 -31.4 5.54 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 112.933 0.716 . . . . 0.29 112.933 -179.582 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 97.22 22.17 17.98 Favored Glycine 0 C--N 1.32 -0.336 0 C-N-CA 120.103 -1.046 . . . . 0.27 113.126 177.581 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 805' ' ' LYS . . . . . . . . . . . . . 32.7 mmtp -81.83 128.88 34.47 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.914 0.357 . . . . 2.31 110.27 178.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 806' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -88.24 128.37 35.47 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.534 -0.543 . . . . 0.93 109.534 179.241 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -155.39 157.78 31.76 Favored Pre-proline 0 C--N 1.316 -0.849 0 CA-C-N 115.074 -0.967 . . . . 0.31 109.666 -176.161 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 808' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_exo -62.15 127.49 21.32 Favored 'Trans proline' 0 N--CA 1.456 -0.729 0 C-N-CA 122.175 1.917 . . . . 0.57 111.265 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 809' ' ' ALA . . . . . . . . . . . . . . . -43.1 -28.43 0.28 Allowed 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 114.035 1.124 . . . . 0.29 114.035 -178.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -59.84 -29.66 68.42 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 120.925 0.393 . . . . 2.86 111.864 -179.001 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -76.3 -26.14 55.55 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.222 0.534 . . . . 1.28 110.001 -175.263 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 812' ' ' PHE . . . . . 0.564 ' HB3' ' HA ' ' A' ' 816' ' ' LYS . 14.0 m-85 -70.44 69.06 0.38 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.496 -0.774 . . . . 0.54 111.613 176.615 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 39.7 mmt180 -70.83 -40.26 72.51 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.412 -0.813 . . . . 4.06 109.89 175.41 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . -83.27 62.04 4.68 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.862 -0.685 . . . . 2.06 111.496 175.04 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 25.7 m 70.42 143.86 0.05 Allowed 'General case' 0 C--O 1.236 0.344 0 CA-C-O 121.415 0.626 . . . . 1.93 111.138 -177.341 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 816' ' ' LYS . . . . . 0.564 ' HA ' ' HB3' ' A' ' 812' ' ' PHE . 35.1 mmtp -75.28 56.33 0.82 Allowed 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.703 -0.681 . . . . 1.66 109.961 -179.545 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 817' ' ' ARG . . . . . 0.407 ' O ' ' HA ' ' A' ' 800' ' ' CYS . 51.8 mtm-85 -143.76 -29.94 0.5 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.705 -0.679 . . . . 3.2 110.071 -175.119 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 818' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -137.63 112.42 8.92 Favored 'General case' 0 C--N 1.334 -0.093 0 CA-C-O 120.918 0.39 . . . . 0.52 110.592 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 819' ' ' CYS . . . . . 0.683 ' SG ' ' HB2' ' A' ' 800' ' ' CYS . 1.8 p -50.2 107.75 0.18 Allowed 'General case' 0 C--O 1.221 -0.405 0 N-CA-C 114.267 1.21 . . . . 1.36 114.267 178.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 24.8 p 89.07 -161.07 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.273 1.029 . . . . 1.18 110.505 160.348 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 821' ' ' MET . . . . . 0.418 ' CE ' ' HA ' ' A' ' 821' ' ' MET . 14.7 mmt -85.55 -54.63 4.44 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 122.098 -0.376 . . . . 2.1 110.822 -179.317 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 822' ' ' THR . . . . . 0.452 ' O ' ' HB2' ' A' ' 826' ' ' ARG . 51.8 m -45.5 -49.13 13.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.322 -0.854 . . . . 0.77 112.835 177.707 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 823' ' ' CYS . . . . . 0.634 ' HB2' ' O ' ' A' ' 819' ' ' CYS . 93.1 m -73.28 -42.74 62.09 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 112.24 0.459 . . . . 0.62 112.24 -176.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 824' ' ' ALA . . . . . . . . . . . . . . . -61.93 -42.76 99.47 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.666 -0.414 . . . . 0.32 110.845 179.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -69.41 -28.85 66.51 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-O 121.466 0.651 . . . . 2.6 110.485 178.223 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 826' ' ' ARG . . . . . 0.452 ' HB2' ' O ' ' A' ' 822' ' ' THR . 8.6 tpt180 -68.12 -24.3 65.0 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 114.726 -1.124 . . . . 3.53 111.405 -175.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 827' ' ' TYR . . . . . . . . . . . . . 38.7 t80 . . . . . 0 C--N 1.333 -0.14 0 CA-C-O 121.473 0.654 . . . . 1.49 110.911 -179.639 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 796' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.235 0.304 0 CA-C-O 121.526 0.679 . . . . 1.68 110.091 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 797' ' ' LEU . . . . . . . . . . . . . 21.4 mt -92.75 149.65 21.16 Favored 'General case' 0 N--CA 1.44 -0.954 0 CA-C-N 115.74 -0.663 . . . . 0.55 111.069 -176.363 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 798' ' ' LEU . . . . . 0.481 HD22 ' C ' ' A' ' 798' ' ' LEU . 0.0 OUTLIER -145.98 157.91 43.87 Favored 'General case' 0 C--N 1.311 -1.094 0 N-CA-C 105.453 -2.054 . . . . 1.31 105.453 166.365 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 799' ' ' LYS . . . . . 0.663 ' HD3' ' CZ ' ' A' ' 806' ' ' TYR . 62.4 pttt -116.29 139.65 50.16 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 116.896 -1.922 . . . . 1.78 114.318 -164.817 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 800' ' ' CYS . . . . . 0.665 ' HB2' ' SG ' ' A' ' 819' ' ' CYS . 19.1 t -46.83 103.87 0.04 OUTLIER 'General case' 0 N--CA 1.444 -0.758 0 CA-C-N 111.688 -2.506 . . . . 0.3 111.656 171.75 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -65.58 18.12 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 113.61 0.967 . . . . 2.42 113.61 -176.683 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 802' ' ' TYR . . . . . 0.472 ' CE2' ' HG3' ' A' ' 826' ' ' ARG . 46.8 t80 -107.78 -45.63 3.97 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.957 0.408 . . . . 0.87 109.952 172.643 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 803' ' ' CYS . . . . . 0.403 ' SG ' ' SG ' ' A' ' 800' ' ' CYS . 10.9 p -113.63 -24.02 9.44 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.173 -0.467 . . . . 0.29 111.89 -177.054 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 89.12 19.36 50.8 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.365 -0.922 . . . . 0.27 112.475 173.54 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 805' ' ' LYS . . . . . 0.407 ' HA ' ' HD3' ' A' ' 805' ' ' LYS . 33.1 mmtm -86.3 133.44 33.81 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.827 -0.434 . . . . 2.31 109.827 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 806' ' ' TYR . . . . . 0.663 ' CZ ' ' HD3' ' A' ' 799' ' ' LYS . 98.1 m-85 -84.88 129.22 34.84 Favored 'General case' 0 CA--C 1.513 -0.48 0 CA-C-O 121.254 0.55 . . . . 0.93 109.634 -177.216 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 807' ' ' ALA . . . . . 0.4 ' HA ' ' HD3' ' A' ' 808' ' ' PRO . . . -147.83 155.34 44.5 Favored Pre-proline 0 C--N 1.315 -0.9 0 CA-C-N 114.957 -1.019 . . . . 0.31 109.547 -174.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 808' ' ' PRO . . . . . 0.458 ' O ' ' HG3' ' A' ' 811' ' ' GLN . 11.7 Cg_exo -68.93 132.72 25.31 Favored 'Trans proline' 0 N--CA 1.458 -0.616 0 C-N-CA 122.292 1.994 . . . . 0.57 111.461 -176.076 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 809' ' ' ALA . . . . . . . . . . . . . . . -42.34 -28.97 0.23 Allowed 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 115.023 -0.989 . . . . 0.29 113.357 179.31 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 810' ' ' GLU . . . . . 0.417 ' O ' ' HG3' ' A' ' 813' ' ' ARG . 0.2 OUTLIER -52.33 -47.75 65.86 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 112.523 0.564 . . . . 2.86 112.523 178.821 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 811' ' ' GLN . . . . . 0.507 HE22 ' HA ' ' A' ' 819' ' ' CYS . 0.5 OUTLIER -86.52 15.75 5.23 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 112.063 0.394 . . . . 1.28 112.063 -175.515 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 812' ' ' PHE . . . . . 0.709 ' HB3' ' HD3' ' A' ' 816' ' ' LYS . 36.0 m-85 -100.12 33.33 2.66 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.298 0.57 . . . . 0.54 110.704 178.119 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 813' ' ' ARG . . . . . 0.417 ' HG3' ' O ' ' A' ' 810' ' ' GLU . 45.5 mtt180 -82.8 152.51 25.64 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.816 -0.629 . . . . 4.06 110.257 179.394 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 94.56 -54.39 2.02 Favored Glycine 0 N--CA 1.443 -0.838 0 N-CA-C 110.808 -0.917 . . . . 2.06 110.808 -169.199 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 65.1 m -158.52 121.3 3.74 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 122.532 0.333 . . . . 1.93 110.207 176.478 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 816' ' ' LYS . . . . . 0.709 ' HD3' ' HB3' ' A' ' 812' ' ' PHE . 33.1 mmtp -76.55 63.33 2.05 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 121.132 0.491 . . . . 1.66 110.023 178.334 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 817' ' ' ARG . . . . . . . . . . . . . 15.8 mtt180 -151.26 -32.16 0.16 Allowed 'General case' 0 C--N 1.318 -0.779 0 C-N-CA 123.651 0.78 . . . . 3.2 110.107 -173.199 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 818' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -134.5 163.1 30.46 Favored 'General case' 0 N--CA 1.442 -0.864 0 N-CA-C 109.479 -0.563 . . . . 0.52 109.479 -178.283 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 819' ' ' CYS . . . . . 0.665 ' SG ' ' HB2' ' A' ' 800' ' ' CYS . 0.0 OUTLIER -66.22 -161.04 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.767 -0.827 . . . . 1.36 108.767 168.58 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 21.3 m -69.38 -119.42 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 112.906 0.706 . . . . 1.18 112.906 -162.271 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 821' ' ' MET . . . . . 0.451 ' O ' ' HB3' ' A' ' 825' ' ' LYS . 42.7 mmm -81.49 -54.71 5.21 Favored 'General case' 0 CA--C 1.506 -0.731 0 O-C-N 120.97 -1.081 . . . . 2.1 111.37 -170.599 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 822' ' ' THR . . . . . . . . . . . . . 1.6 m -45.95 -54.49 8.2 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 123.775 0.672 . . . . 0.77 112.088 -178.344 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 823' ' ' CYS . . . . . . . . . . . . . 58.0 m -72.64 -44.98 61.19 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 113.064 0.764 . . . . 0.62 113.064 -174.224 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 824' ' ' ALA . . . . . . . . . . . . . . . -60.89 -41.23 95.62 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.575 -0.45 . . . . 0.32 110.553 176.484 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 825' ' ' LYS . . . . . 0.451 ' HB3' ' O ' ' A' ' 821' ' ' MET . 57.4 tttt -62.53 -38.56 90.46 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-O 121.635 0.731 . . . . 2.6 111.308 174.234 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 826' ' ' ARG . . . . . 0.472 ' HG3' ' CE2' ' A' ' 802' ' ' TYR . 17.4 tpp180 -68.41 -27.95 66.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 114.663 -1.153 . . . . 3.53 111.266 -175.228 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 827' ' ' TYR . . . . . . . . . . . . . 37.5 t80 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.057 -0.52 . . . . 1.49 111.481 -179.522 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 796' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.234 0.257 0 CA-C-O 121.783 0.801 . . . . 1.68 109.591 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 797' ' ' LEU . . . . . . . . . . . . . 22.4 mt -94.89 152.58 18.25 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-O 121.816 0.817 . . . . 0.55 111.724 -171.041 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 798' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -147.93 179.36 7.79 Favored 'General case' 0 C--N 1.312 -1.063 0 N-CA-C 104.699 -2.334 . . . . 1.31 104.699 169.507 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 799' ' ' LYS . . . . . 0.447 ' HB2' ' O ' ' A' ' 805' ' ' LYS . 0.0 OUTLIER -147.28 146.18 29.65 Favored 'General case' 0 N--CA 1.442 -0.833 0 C-N-CA 116.22 -2.192 . . . . 1.78 115.226 -172.782 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 800' ' ' CYS . . . . . 0.535 ' HB2' ' SG ' ' A' ' 819' ' ' CYS . 6.9 t -41.85 104.21 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 111.319 -2.673 . . . . 0.3 112.779 175.244 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -61.91 7.52 0.05 Allowed 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 113.171 0.804 . . . . 2.42 113.171 174.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 802' ' ' TYR . . . . . 0.412 ' H ' ' C ' ' A' ' 800' ' ' CYS . 18.3 t80 -105.58 -46.85 4.07 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 122.078 -0.389 . . . . 0.87 110.118 177.158 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 5.5 p -117.39 -27.08 6.49 Favored 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 112.964 0.728 . . . . 0.29 112.964 -177.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 96.52 23.53 16.06 Favored Glycine 0 CA--C 1.517 0.213 0 C-N-CA 120.469 -0.872 . . . . 0.27 113.41 173.714 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 805' ' ' LYS . . . . . 0.447 ' O ' ' HB2' ' A' ' 799' ' ' LYS . 0.0 OUTLIER -82.27 124.44 29.95 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.832 0.316 . . . . 2.31 110.453 178.687 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 806' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -87.54 129.06 35.22 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-O 121.1 0.476 . . . . 0.93 109.881 -178.322 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -158.48 165.66 18.09 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-N 115.047 -0.978 . . . . 0.31 110.237 -172.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 808' ' ' PRO . . . . . . . . . . . . . 15.2 Cg_exo -68.28 130.0 20.35 Favored 'Trans proline' 0 N--CA 1.459 -0.527 0 C-N-CA 122.145 1.897 . . . . 0.57 111.674 -178.358 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 809' ' ' ALA . . . . . . . . . . . . . . . -43.01 -27.94 0.23 Allowed 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 114.88 -1.055 . . . . 0.29 113.509 178.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -57.41 -38.83 74.94 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.915 0.709 . . . . 2.86 112.915 -176.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -74.48 -20.75 59.88 Favored 'General case' 0 C--O 1.234 0.273 0 C-N-CA 121.225 -0.19 . . . . 1.28 111.212 -176.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 812' ' ' PHE . . . . . 0.597 ' HB2' ' HD3' ' A' ' 816' ' ' LYS . 11.5 m-85 -70.54 60.83 0.22 Allowed 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 112.713 0.634 . . . . 0.54 112.713 179.046 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 14.3 mmm180 -73.7 -22.19 60.0 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.492 -0.776 . . . . 4.06 110.878 173.585 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . -97.84 58.73 1.06 Allowed Glycine 0 N--CA 1.444 -0.807 0 N-CA-C 110.793 -0.923 . . . . 2.06 110.793 175.53 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 28.7 t 73.99 138.09 0.06 Allowed 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.502 0.668 . . . . 1.93 110.458 -175.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 816' ' ' LYS . . . . . 0.597 ' HD3' ' HB2' ' A' ' 812' ' ' PHE . 30.8 mmtp -76.5 56.83 1.14 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.572 -0.74 . . . . 1.66 109.633 179.669 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 817' ' ' ARG . . . . . . . . . . . . . 68.9 mtm180 -147.71 -29.47 0.33 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.95 -1.023 . . . . 3.2 109.945 -174.398 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 818' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -132.62 132.83 42.9 Favored 'General case' 0 CA--C 1.516 -0.337 0 N-CA-C 109.678 -0.49 . . . . 0.52 109.678 -179.096 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 819' ' ' CYS . . . . . 0.535 ' SG ' ' HB2' ' A' ' 800' ' ' CYS . 2.6 p -74.97 104.85 5.72 Favored 'General case' 0 N--CA 1.439 -0.984 0 C-N-CA 120.525 -0.47 . . . . 1.36 111.0 -173.079 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 27.6 p 87.51 -154.74 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.199 0.999 . . . . 1.18 110.248 161.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 821' ' ' MET . . . . . . . . . . . . . 31.3 mmt -85.29 -59.72 2.24 Favored 'General case' 0 C--N 1.328 -0.346 0 O-C-N 122.229 -0.295 . . . . 2.1 111.34 -172.413 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 822' ' ' THR . . . . . . . . . . . . . 25.9 m -44.97 -50.28 10.69 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 123.494 0.718 . . . . 0.77 112.822 177.546 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 823' ' ' CYS . . . . . 0.513 ' HB2' ' O ' ' A' ' 819' ' ' CYS . 72.9 m -69.77 -43.42 72.22 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 112.779 0.659 . . . . 0.62 112.779 -176.689 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 824' ' ' ALA . . . . . . . . . . . . . . . -62.03 -43.83 98.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.098 0.475 . . . . 0.32 110.246 177.137 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 825' ' ' LYS . . . . . 0.417 ' HE2' ' HB3' ' A' ' 825' ' ' LYS . 50.6 mtpt -65.05 -30.25 71.21 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-N 115.788 -0.642 . . . . 2.6 111.162 177.124 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 22.2 tpt180 -65.18 -28.17 69.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.303 0.573 . . . . 3.53 110.008 -177.172 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 827' ' ' TYR . . . . . . . . . . . . . 46.3 t80 . . . . . 0 C--N 1.327 -0.39 0 CA-C-N 115.538 -0.756 . . . . 1.49 110.116 177.055 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 796' ' ' ASN . . . . . 0.479 ' N ' HD22 ' A' ' 796' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.464 0.242 0 CA-C-O 121.655 0.74 . . . . 1.68 111.422 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 797' ' ' LEU . . . . . . . . . . . . . 16.8 mt -104.9 147.7 27.48 Favored 'General case' 0 N--CA 1.445 -0.678 0 O-C-N 121.763 -0.586 . . . . 0.55 110.011 -178.006 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 798' ' ' LEU . . . . . 0.477 HD22 ' N ' ' A' ' 799' ' ' LYS . 0.0 OUTLIER -151.07 173.26 14.56 Favored 'General case' 0 C--N 1.312 -1.065 0 N-CA-C 105.84 -1.911 . . . . 1.31 105.84 172.518 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 799' ' ' LYS . . . . . 0.551 ' HD2' ' CZ ' ' A' ' 806' ' ' TYR . 0.0 OUTLIER -131.0 144.73 51.7 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 116.896 -1.921 . . . . 1.78 114.503 -168.041 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 800' ' ' CYS . . . . . 0.492 ' SG ' ' SG ' ' A' ' 819' ' ' CYS . 43.7 t -47.3 112.2 0.5 Allowed 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 111.451 -2.613 . . . . 0.3 111.595 177.289 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -62.31 13.9 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 113.089 0.774 . . . . 2.42 113.089 176.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 802' ' ' TYR . . . . . 0.449 ' H ' ' C ' ' A' ' 800' ' ' CYS . 30.6 t80 -108.43 -88.72 0.48 Allowed 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.664 -0.865 . . . . 0.87 108.664 169.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 7.6 p -62.89 -42.98 99.97 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 113.124 0.787 . . . . 0.29 113.124 176.329 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 95.52 23.78 17.93 Favored Glycine 0 C--N 1.315 -0.628 0 C-N-CA 120.072 -1.061 . . . . 0.27 112.872 176.547 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 805' ' ' LYS . . . . . . . . . . . . . 23.6 ttpt -83.61 140.51 32.16 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.679 0.276 . . . . 2.31 110.462 177.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 806' ' ' TYR . . . . . 0.551 ' CZ ' ' HD2' ' A' ' 799' ' ' LYS . 29.7 m-85 -83.88 135.06 34.64 Favored 'General case' 0 CA--C 1.515 -0.379 0 CA-C-N 115.718 -0.674 . . . . 0.93 110.85 -176.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -157.68 155.3 26.73 Favored Pre-proline 0 C--N 1.317 -0.817 0 CA-C-N 115.057 -0.974 . . . . 0.31 110.328 -175.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 808' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_exo -62.67 128.12 22.52 Favored 'Trans proline' 0 N--CA 1.458 -0.597 0 C-N-CA 122.285 1.99 . . . . 0.57 111.022 177.12 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 809' ' ' ALA . . . . . . . . . . . . . . . -44.02 -23.98 0.12 Allowed 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 113.84 1.052 . . . . 0.29 113.84 179.664 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.44 -34.22 68.74 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 122.961 0.504 . . . . 2.86 110.683 178.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -78.68 -25.16 44.78 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 116.133 -0.485 . . . . 1.28 110.789 -174.203 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 812' ' ' PHE . . . . . 0.417 ' HB3' ' HA ' ' A' ' 816' ' ' LYS . 3.9 m-85 -68.64 58.54 0.09 Allowed 'General case' 0 CA--C 1.531 0.239 0 CA-C-O 121.76 0.79 . . . . 0.54 111.699 175.385 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 68.1 mtt180 -82.41 144.48 30.46 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 114.537 -1.211 . . . . 4.06 110.087 177.742 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 91.49 -48.67 2.87 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.876 -0.678 . . . . 2.06 111.791 -176.403 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 12.1 p -160.74 126.11 3.82 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.712 0.291 . . . . 1.93 110.847 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 816' ' ' LYS . . . . . 0.417 ' HA ' ' HB3' ' A' ' 812' ' ' PHE . 0.5 OUTLIER -78.4 57.93 2.04 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 121.542 0.687 . . . . 1.66 110.045 179.456 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 817' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -136.23 -34.85 0.77 Allowed 'General case' 0 C--N 1.319 -0.76 0 C-N-CA 124.001 0.92 . . . . 3.2 109.167 -175.499 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 818' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -136.44 164.26 28.58 Favored 'General case' 0 N--CA 1.442 -0.863 0 N-CA-C 108.377 -0.971 . . . . 0.52 108.377 -176.207 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 819' ' ' CYS . . . . . 0.492 ' SG ' ' SG ' ' A' ' 800' ' ' CYS . 1.3 p -67.21 -158.82 0.02 OUTLIER 'General case' 0 C--N 1.31 -1.121 0 N-CA-C 108.488 -0.93 . . . . 1.36 108.488 168.664 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 48.4 p -67.26 -120.49 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 113.985 1.106 . . . . 1.18 113.985 -158.188 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 821' ' ' MET . . . . . 0.55 ' O ' ' HG2' ' A' ' 825' ' ' LYS . 32.5 mmt -83.67 -64.58 1.14 Allowed 'General case' 0 C--N 1.319 -0.726 0 O-C-N 120.95 -1.093 . . . . 2.1 111.836 -163.052 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 822' ' ' THR . . . . . . . . . . . . . 18.2 m -45.55 -46.09 13.88 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 112.847 0.684 . . . . 0.77 112.847 -178.046 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 823' ' ' CYS . . . . . . . . . . . . . 86.9 m -73.52 -50.31 22.11 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 112.811 0.671 . . . . 0.62 112.811 -174.66 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 824' ' ' ALA . . . . . . . . . . . . . . . -57.75 -42.74 84.56 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-O 121.116 0.484 . . . . 0.32 110.213 178.708 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 825' ' ' LYS . . . . . 0.55 ' HG2' ' O ' ' A' ' 821' ' ' MET . 25.9 mmmt -65.7 -39.28 91.09 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.606 -0.724 . . . . 2.6 111.633 -179.549 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 826' ' ' ARG . . . . . 0.622 ' HA ' ' NE ' ' A' ' 826' ' ' ARG . 1.4 tpm_? -69.69 -27.47 65.03 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.796 -0.361 . . . . 3.53 111.565 -171.055 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 827' ' ' TYR . . . . . . . . . . . . . 63.1 t80 . . . . . 0 C--N 1.326 -0.441 0 N-CA-C 109.638 -0.504 . . . . 1.49 109.638 -177.74 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 796' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 . . . . . 0 N--CA 1.45 -0.431 0 N-CA-C 106.676 -1.602 . . . . 1.68 106.676 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 797' ' ' LEU . . . . . . . . . . . . . 10.2 mt -88.76 153.96 20.66 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 112.767 -2.015 . . . . 0.55 112.247 -167.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 798' ' ' LEU . . . . . 0.463 HD22 ' C ' ' A' ' 798' ' ' LEU . 0.0 OUTLIER -145.85 142.95 29.3 Favored 'General case' 0 C--N 1.315 -0.908 0 N-CA-C 106.271 -1.751 . . . . 1.31 106.271 166.796 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 799' ' ' LYS . . . . . 0.671 ' H ' ' HD3' ' A' ' 799' ' ' LYS . 0.0 OUTLIER -99.77 136.43 39.7 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 118.117 -1.433 . . . . 1.78 114.401 -164.581 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 800' ' ' CYS . . . . . 0.546 ' HB2' ' SG ' ' A' ' 819' ' ' CYS . 46.8 t -43.12 107.38 0.08 Allowed 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 111.885 -2.416 . . . . 0.3 112.264 171.714 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -62.82 5.69 0.12 Allowed 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 113.115 0.784 . . . . 2.42 113.115 -179.455 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 802' ' ' TYR . . . . . 0.447 ' HB2' ' CD1' ' A' ' 818' ' ' PHE . 37.8 t80 -103.27 -49.16 3.8 Favored 'General case' 0 C--N 1.328 -0.354 0 O-C-N 121.41 -0.806 . . . . 0.87 110.335 178.803 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 7.0 p -112.29 -20.09 11.98 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 111.865 0.32 . . . . 0.29 111.865 -178.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 93.08 14.22 54.93 Favored Glycine 0 N--CA 1.445 -0.722 0 C-N-CA 120.306 -0.95 . . . . 0.27 112.599 172.284 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 805' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -85.89 136.23 33.37 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 110.325 -0.25 . . . . 2.31 110.325 -176.226 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 806' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -87.07 131.72 34.04 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.01 0.433 . . . . 0.93 110.021 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -149.4 153.88 37.82 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-N 115.395 -0.82 . . . . 0.31 109.901 -177.605 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 808' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -63.0 128.6 23.41 Favored 'Trans proline' 0 N--CA 1.46 -0.449 0 C-N-CA 122.335 2.023 . . . . 0.57 111.692 -178.049 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 809' ' ' ALA . . . . . . . . . . . . . . . -45.41 -29.52 1.11 Allowed 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 114.879 -1.055 . . . . 0.29 113.316 -177.509 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -51.66 -37.68 51.53 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 123.385 0.674 . . . . 2.86 111.503 178.08 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -77.89 -24.8 48.33 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.737 -0.665 . . . . 1.28 111.257 -175.348 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 812' ' ' PHE . . . . . 0.659 ' HB3' ' HA ' ' A' ' 816' ' ' LYS . 36.7 m-85 -69.81 49.84 0.1 Allowed 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 113.941 1.089 . . . . 0.54 113.941 179.558 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 75.2 mtt180 -81.4 145.33 30.86 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.733 -0.667 . . . . 4.06 109.407 173.041 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 94.84 -54.48 1.92 Allowed Glycine 0 N--CA 1.445 -0.727 0 N-CA-C 110.921 -0.871 . . . . 2.06 110.921 -172.514 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 18.5 p -161.56 123.5 2.92 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.422 0.153 . . . . 1.93 110.63 178.465 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 816' ' ' LYS . . . . . 0.659 ' HA ' ' HB3' ' A' ' 812' ' ' PHE . 96.0 mttt -78.51 64.89 3.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.694 0.759 . . . . 1.66 109.544 177.539 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 817' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -148.03 -34.37 0.23 Allowed 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 114.52 -1.218 . . . . 3.2 109.458 -172.449 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 818' ' ' PHE . . . . . 0.447 ' CD1' ' HB2' ' A' ' 802' ' ' TYR . 69.5 m-85 -136.75 139.81 42.12 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.189 -0.671 . . . . 0.52 109.189 -175.116 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 819' ' ' CYS . . . . . 0.546 ' SG ' ' HB2' ' A' ' 800' ' ' CYS . 2.0 p -75.0 102.86 4.97 Favored 'General case' 0 N--CA 1.439 -1.015 0 C-N-CA 119.754 -0.778 . . . . 1.36 111.001 -174.231 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 820' ' ' SER . . . . . 0.424 ' HB3' ' O ' ' A' ' 819' ' ' CYS . 34.9 t 88.36 -158.21 0.01 OUTLIER 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.132 0.573 . . . . 1.18 109.905 162.154 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 821' ' ' MET . . . . . . . . . . . . . 31.7 mmt -82.66 -54.71 4.93 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 111.718 0.266 . . . . 2.1 111.718 -173.121 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 822' ' ' THR . . . . . . . . . . . . . 3.9 m -44.17 -52.49 7.29 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 123.786 0.834 . . . . 0.77 112.837 177.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 823' ' ' CYS . . . . . . . . . . . . . 98.4 m -69.92 -48.15 59.64 Favored 'General case' 0 C--N 1.312 -1.051 0 N-CA-C 112.778 0.658 . . . . 0.62 112.778 -176.134 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 824' ' ' ALA . . . . . . . . . . . . . . . -60.45 -46.74 88.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.248 -0.433 . . . . 0.32 111.485 -177.361 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 19.9 ptmt -65.78 -30.9 71.62 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 116.013 -0.539 . . . . 2.6 110.298 -178.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 43.9 ttt180 -70.63 -25.1 62.87 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.562 -0.745 . . . . 3.53 110.646 -173.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 827' ' ' TYR . . . . . . . . . . . . . 81.2 t80 . . . . . 0 CA--C 1.535 0.384 0 CA-C-O 121.914 0.864 . . . . 1.49 109.909 177.017 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.675 0 N-CA-C 111.968 -0.453 . . . . 12.46 111.968 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.4 p -93.92 34.68 1.21 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.946 0.403 . . . . 10.84 112.016 -177.308 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 80.4 mtp180 -109.77 107.02 16.86 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.329 -0.396 . . . . 12.75 110.121 177.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . 96.74 31.12 7.2 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.946 -0.645 . . . . 8.5 112.592 179.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 784' ' ' VAL . . . . . . . . . . . . . 61.6 t -82.95 -67.76 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 O-C-N 122.699 -0.295 . . . . 10.4 110.432 179.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -89.28 44.07 1.19 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.538 0.685 . . . . 11.27 110.146 178.601 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 786' ' ' SER . . . . . 0.409 ' OG ' ' HB2' ' A' ' 793' ' ' LYS . 5.0 m -122.6 120.2 27.96 Favored Pre-proline 0 C--N 1.32 -0.715 0 CA-C-N 116.089 -0.505 . . . . 8.95 112.185 -171.803 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 787' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_exo -71.76 -41.01 2.4 Favored 'Trans proline' 0 N--CA 1.46 -0.477 0 C-N-CA 122.751 2.301 . . . . 11.09 109.853 168.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 788' ' ' SER . . . . . . . . . . . . . 17.5 m -87.47 52.76 2.58 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 115.006 -0.997 . . . . 10.45 109.641 173.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -60.11 -34.48 73.55 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.076 -0.511 . . . . 9.07 110.882 -178.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 790' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -59.7 -36.49 76.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.703 -0.681 . . . . 9.34 111.099 178.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 791' ' ' LEU . . . . . . . . . . . . . 89.5 mt -92.81 18.16 9.36 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.219 0.533 . . . . 8.68 110.058 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 792' ' ' ASP . . . . . 0.463 ' O ' ' HB3' ' A' ' 793' ' ' LYS . 16.3 t70 56.12 41.63 29.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 114.561 -1.199 . . . . 7.1 111.476 175.382 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 793' ' ' LYS . . . . . 0.463 ' HB3' ' O ' ' A' ' 792' ' ' ASP . 51.0 tptt 73.92 -23.66 0.22 Allowed 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 116.012 -0.54 . . . . 6.3 111.667 176.288 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 794' ' ' LYS . . . . . 0.67 ' HB3' HD21 ' A' ' 797' ' ' LEU . 0.0 OUTLIER 56.31 46.98 20.07 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.228 -0.896 . . . . 6.55 108.691 -167.893 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -74.26 -62.97 1.33 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.243 -0.889 . . . . 1.56 111.17 175.095 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 796' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -77.7 77.15 4.22 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 114.322 -1.308 . . . . 1.68 111.522 -176.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 797' ' ' LEU . . . . . 0.67 HD21 ' HB3' ' A' ' 794' ' ' LYS . 15.6 mt -98.17 152.6 19.19 Favored 'General case' 0 N--CA 1.441 -0.92 0 CA-C-O 122.093 0.949 . . . . 0.55 112.275 -178.643 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 798' ' ' LEU . . . . . 0.497 HD12 ' N ' ' A' ' 799' ' ' LYS . 1.0 OUTLIER -145.23 179.91 7.07 Favored 'General case' 0 C--N 1.305 -1.366 0 N-CA-C 103.717 -2.698 . . . . 1.31 103.717 166.714 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 799' ' ' LYS . . . . . 0.497 ' N ' HD12 ' A' ' 798' ' ' LEU . 0.0 OUTLIER -145.01 148.0 33.25 Favored 'General case' 0 C--N 1.315 -0.892 0 C-N-CA 116.75 -1.98 . . . . 1.78 113.547 -176.02 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 800' ' ' CYS . . . . . 0.47 ' HA ' ' HA ' ' A' ' 818' ' ' PHE . 53.9 t -49.62 111.33 0.49 Allowed 'General case' 0 N--CA 1.44 -0.933 0 CA-C-N 112.366 -2.197 . . . . 0.3 111.26 178.742 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 55.4 mm-40 -62.92 12.88 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 112.667 0.617 . . . . 2.42 112.667 177.098 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 802' ' ' TYR . . . . . 0.457 ' H ' ' C ' ' A' ' 800' ' ' CYS . 36.0 t80 -105.81 -89.63 0.43 Allowed 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 108.672 -0.862 . . . . 0.87 108.672 171.004 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 3.2 p -65.45 -32.74 74.52 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 113.841 1.052 . . . . 0.29 113.841 177.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 90.85 20.13 41.04 Favored Glycine 0 C--N 1.318 -0.46 0 C-N-CA 119.833 -1.175 . . . . 0.27 113.358 174.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 805' ' ' LYS . . . . . . . . . . . . . 64.1 mttm -82.16 136.69 35.1 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.688 0.28 . . . . 2.31 110.635 178.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 806' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -88.15 138.41 31.47 Favored 'General case' 0 CA--C 1.514 -0.414 0 CA-C-N 115.752 -0.658 . . . . 0.93 109.83 -177.045 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 807' ' ' ALA . . . . . 0.437 ' C ' HD22 ' A' ' 797' ' ' LEU . . . -157.09 160.68 30.47 Favored Pre-proline 0 C--N 1.315 -0.912 0 CA-C-N 115.386 -0.825 . . . . 0.31 109.477 -176.003 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 808' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_exo -63.23 125.85 16.61 Favored 'Trans proline' 0 N--CA 1.451 -0.983 0 C-N-CA 121.37 1.38 . . . . 0.57 109.909 176.369 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 809' ' ' ALA . . . . . 0.501 ' HA ' ' CD1' ' A' ' 812' ' ' PHE . . . -42.08 -26.96 0.11 Allowed 'General case' 0 N--CA 1.477 0.879 0 O-C-N 124.45 1.093 . . . . 0.29 113.568 -177.023 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -61.32 -26.35 67.74 Favored 'General case' 0 C--N 1.318 -0.768 0 C-N-CA 122.885 0.474 . . . . 2.86 112.2 178.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.29 -2.07 58.36 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.664 0.745 . . . . 1.28 109.769 -177.399 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 812' ' ' PHE . . . . . 0.501 ' CD1' ' HA ' ' A' ' 809' ' ' ALA . 67.6 m-85 -91.86 62.84 4.42 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 122.144 0.973 . . . . 0.54 109.089 -176.773 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 813' ' ' ARG . . . . . 0.413 HH11 ' HD3' ' A' ' 813' ' ' ARG . 14.1 mmm-85 -71.99 -5.25 33.58 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 113.523 -1.671 . . . . 4.06 110.645 -178.125 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . -82.64 33.83 2.77 Favored Glycine 0 N--CA 1.449 -0.451 0 N-CA-C 111.087 -0.805 . . . . 2.06 111.087 173.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 16.3 m 56.61 47.11 19.12 Favored 'General case' 0 C--O 1.231 0.126 0 C-N-CA 123.29 0.636 . . . . 1.93 111.016 -179.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp 55.36 58.21 4.81 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 114.891 -1.049 . . . . 1.66 111.299 171.329 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 817' ' ' ARG . . . . . . . . . . . . . 60.0 mtt85 -144.3 -42.56 0.26 Allowed 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 107.865 -1.161 . . . . 3.2 107.865 178.412 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 818' ' ' PHE . . . . . 0.47 ' HA ' ' HA ' ' A' ' 800' ' ' CYS . 93.0 m-85 -135.98 162.86 31.68 Favored 'General case' 0 N--CA 1.438 -1.066 0 CA-C-N 114.275 -1.329 . . . . 0.52 108.585 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 819' ' ' CYS . . . . . . . . . . . . . 1.8 p -68.57 -157.79 0.02 OUTLIER 'General case' 0 C--N 1.315 -0.931 0 N-CA-C 108.822 -0.807 . . . . 1.36 108.822 170.36 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 29.8 p -67.87 -131.04 0.0 OUTLIER 'General case' 0 CA--C 1.55 0.973 0 N-CA-C 113.751 1.019 . . . . 1.18 113.751 -160.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 821' ' ' MET . . . . . 0.618 ' O ' ' HG2' ' A' ' 825' ' ' LYS . 32.4 mmt -78.46 -57.56 3.71 Favored 'General case' 0 CA--C 1.515 -0.394 0 O-C-N 121.001 -1.062 . . . . 2.1 112.134 -161.117 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 822' ' ' THR . . . . . 0.429 ' O ' ' HB2' ' A' ' 826' ' ' ARG . 4.1 m -44.35 -51.98 8.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 123.701 0.626 . . . . 0.77 112.04 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 823' ' ' CYS . . . . . . . . . . . . . 91.5 m -73.07 -54.04 9.55 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 113.777 1.028 . . . . 0.62 113.777 -175.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 824' ' ' ALA . . . . . . . . . . . . . . . -58.73 -45.08 90.42 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-O 120.652 0.263 . . . . 0.32 111.408 -177.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 825' ' ' LYS . . . . . 0.618 ' HG2' ' O ' ' A' ' 821' ' ' MET . 19.1 ptmt -66.12 -27.68 68.23 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 121.018 -0.273 . . . . 2.6 111.138 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 826' ' ' ARG . . . . . 0.429 ' HB2' ' O ' ' A' ' 822' ' ' THR . 66.8 ttt180 -73.8 -23.82 59.74 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 121.464 0.649 . . . . 3.53 110.069 -173.619 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 827' ' ' TYR . . . . . . . . . . . . . 79.8 t80 -85.58 -34.0 21.56 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.074 -0.966 . . . . 1.49 110.051 177.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 828' ' ' ASN . . . . . . . . . . . . . 48.8 m-80 . . . . . 0 C--O 1.252 1.202 0 CA-C-N 115.63 -0.714 . . . . 3.1 110.833 -178.152 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 829' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.916 0 N-CA-C 111.749 -0.54 . . . . 12.46 111.749 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 22.5 m -137.32 88.8 2.37 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.06 0.457 . . . . 10.84 110.472 -179.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 25.5 ttm180 -68.66 151.53 46.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.091 -0.504 . . . . 12.75 111.265 178.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . 134.02 -11.14 4.79 Favored Glycine 0 N--CA 1.45 -0.385 0 N-CA-C 111.323 -0.711 . . . . 8.5 111.323 -179.029 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 784' ' ' VAL . . . . . . . . . . . . . 15.0 p -123.96 -22.75 2.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 121.545 0.688 . . . . 10.4 109.951 178.105 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -77.25 -26.73 52.83 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.448 -0.796 . . . . 11.27 109.94 176.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 786' ' ' SER . . . . . . . . . . . . . 49.5 m -114.69 141.84 27.36 Favored Pre-proline 0 N--CA 1.446 -0.627 0 CA-C-N 115.419 -0.81 . . . . 8.95 111.025 -175.183 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 787' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -64.15 -17.49 59.94 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.926 2.417 . . . . 11.09 111.376 173.471 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 788' ' ' SER . . . . . . . . . . . . . 14.2 m -81.43 61.24 4.81 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 108.934 -0.765 . . . . 10.45 108.934 169.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -61.32 -48.46 81.23 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.456 -0.793 . . . . 9.07 111.809 -172.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 790' ' ' GLU . . . . . 0.636 ' HA ' ' HB2' ' A' ' 793' ' ' LYS . 48.5 mt-10 -74.49 -6.54 48.94 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.266 0.469 . . . . 9.34 112.266 -175.222 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 791' ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' A' ' 791' ' ' LEU . 57.4 tp -78.22 41.09 0.37 Allowed 'General case' 0 N--CA 1.447 -0.579 0 CA-C-O 122.254 1.026 . . . . 8.68 110.234 -176.233 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 792' ' ' ASP . . . . . 0.451 ' H ' ' C ' ' A' ' 790' ' ' GLU . 17.8 t70 177.95 -33.02 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 114.342 -1.299 . . . . 7.1 108.483 -179.65 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 793' ' ' LYS . . . . . 0.636 ' HB2' ' HA ' ' A' ' 790' ' ' GLU . 31.4 mmmt -69.79 -47.5 62.62 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 114.174 -1.376 . . . . 6.3 110.973 178.37 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 794' ' ' LYS . . . . . 0.512 ' HG3' ' H ' ' A' ' 795' ' ' ALA . 14.2 pttp -162.69 -76.88 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.221 -0.445 . . . . 6.55 110.988 179.254 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 795' ' ' ALA . . . . . 0.512 ' H ' ' HG3' ' A' ' 794' ' ' LYS . . . 45.08 39.13 3.61 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 121.075 0.464 . . . . 1.56 111.738 -176.807 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 796' ' ' ASN . . . . . 0.477 ' N ' HD22 ' A' ' 796' ' ' ASN . 0.0 OUTLIER -75.34 74.26 2.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 122.026 0.917 . . . . 1.68 109.753 174.418 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 797' ' ' LEU . . . . . 0.401 ' HG ' ' O ' ' A' ' 795' ' ' ALA . 16.2 mt -90.48 147.29 23.49 Favored 'General case' 0 N--CA 1.442 -0.842 0 CA-C-N 115.624 -0.716 . . . . 0.55 111.214 -171.448 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 798' ' ' LEU . . . . . 0.458 HD22 ' C ' ' A' ' 798' ' ' LEU . 0.0 OUTLIER -144.89 171.12 14.89 Favored 'General case' 0 C--N 1.309 -1.171 0 N-CA-C 104.814 -2.291 . . . . 1.31 104.814 169.129 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 799' ' ' LYS . . . . . 0.458 ' HD2' ' CE2' ' A' ' 806' ' ' TYR . 0.0 OUTLIER -135.69 139.92 44.05 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 116.63 -2.028 . . . . 1.78 114.203 -171.575 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 800' ' ' CYS . . . . . 0.734 ' HB2' ' SG ' ' A' ' 819' ' ' CYS . 49.0 t -42.55 116.43 0.85 Allowed 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 111.324 -2.671 . . . . 0.3 113.105 178.16 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -59.26 -3.48 0.41 Allowed 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 115.293 -0.867 . . . . 2.42 112.793 176.284 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 802' ' ' TYR . . . . . 0.49 ' HB2' ' CE1' ' A' ' 818' ' ' PHE . 21.9 t80 -102.68 -49.73 3.75 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.261 -0.576 . . . . 0.87 110.899 -179.602 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 7.7 p -112.4 -27.27 8.34 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.749 0.648 . . . . 0.29 112.749 -177.051 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 90.88 19.11 44.67 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.061 -1.066 . . . . 0.27 112.718 174.104 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 805' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -79.45 132.02 36.24 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.937 -0.394 . . . . 2.31 109.937 178.193 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 806' ' ' TYR . . . . . 0.458 ' CE2' ' HD2' ' A' ' 799' ' ' LYS . 73.1 m-85 -89.54 131.09 35.73 Favored 'General case' 0 CA--C 1.515 -0.37 0 N-CA-C 109.644 -0.502 . . . . 0.93 109.644 -179.384 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -156.11 157.12 31.11 Favored Pre-proline 0 C--N 1.319 -0.743 0 CA-C-N 115.62 -0.718 . . . . 0.31 109.825 -177.047 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 808' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_exo -58.2 126.98 23.16 Favored 'Trans proline' 0 N--CA 1.461 -0.397 0 C-N-CA 122.602 2.201 . . . . 0.57 111.584 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 809' ' ' ALA . . . . . . . . . . . . . . . -44.89 -32.98 1.78 Allowed 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 113.741 1.015 . . . . 0.29 113.741 -177.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 2.7 pm0 -58.83 -28.5 66.1 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.025 -0.534 . . . . 2.86 111.636 179.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -78.81 -29.6 44.94 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.271 -0.422 . . . . 1.28 110.508 -179.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 812' ' ' PHE . . . . . 0.748 ' HB3' ' HA ' ' A' ' 816' ' ' LYS . 33.6 m-85 -69.84 54.99 0.13 Allowed 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 113.176 0.806 . . . . 0.54 113.176 -179.529 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 69.9 mtm-85 -79.39 14.38 1.59 Allowed 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.76 -0.655 . . . . 4.06 110.922 175.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . -94.46 42.57 2.43 Favored Glycine 0 N--CA 1.444 -0.776 0 N-CA-C 110.174 -1.17 . . . . 2.06 110.174 167.277 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 7.8 t 60.76 39.87 16.77 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 121.336 0.588 . . . . 1.93 111.118 -178.191 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 816' ' ' LYS . . . . . 0.748 ' HA ' ' HB3' ' A' ' 812' ' ' PHE . 97.4 mttt 47.36 56.46 6.93 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 114.587 -1.188 . . . . 1.66 111.989 165.648 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 817' ' ' ARG . . . . . . . . . . . . . 61.6 mtm180 -153.91 -31.34 0.12 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 113.538 -1.665 . . . . 3.2 109.062 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 818' ' ' PHE . . . . . 0.49 ' CE1' ' HB2' ' A' ' 802' ' ' TYR . 81.2 m-85 -133.5 136.77 45.29 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 109.313 -0.625 . . . . 0.52 109.313 175.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 819' ' ' CYS . . . . . 0.734 ' SG ' ' HB2' ' A' ' 800' ' ' CYS . 0.8 OUTLIER -73.98 103.54 4.51 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 116.11 -0.496 . . . . 1.36 111.413 -173.303 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 56.5 p 82.75 -154.38 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.573 1.149 . . . . 1.18 110.001 163.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 821' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.9 -60.38 2.03 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.846 0.355 . . . . 2.1 111.117 -172.771 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 822' ' ' THR . . . . . 0.463 ' HA ' ' HD3' ' A' ' 825' ' ' LYS . 0.5 OUTLIER -45.56 -41.71 10.18 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 113.649 0.981 . . . . 0.77 113.649 177.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 823' ' ' CYS . . . . . 0.584 ' HB2' ' O ' ' A' ' 819' ' ' CYS . 93.2 m -74.41 -43.83 54.62 Favored 'General case' 0 C--N 1.313 -1.003 0 N-CA-C 112.407 0.521 . . . . 0.62 112.407 178.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 824' ' ' ALA . . . . . . . . . . . . . . . -61.84 -44.6 96.51 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.501 -0.318 . . . . 0.32 111.324 179.479 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 825' ' ' LYS . . . . . 0.463 ' HD3' ' HA ' ' A' ' 822' ' ' THR . 0.0 OUTLIER -64.7 -27.66 69.07 Favored 'General case' 0 C--O 1.227 -0.121 0 CA-C-O 120.965 0.412 . . . . 2.6 110.629 178.478 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 7.4 tpp180 -66.89 -31.03 71.36 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 115.642 -0.708 . . . . 3.53 110.873 -176.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 827' ' ' TYR . . . . . . . . . . . . . 88.7 t80 -87.59 -13.22 43.4 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.743 -0.383 . . . . 1.49 110.434 178.013 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 828' ' ' ASN . . . . . . . . . . . . . 12.9 m120 . . . . . 0 C--O 1.251 1.138 0 CA-C-O 118.789 -0.624 . . . . 3.1 110.818 -179.498 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 829' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.889 0 N-CA-C 111.68 -0.568 . . . . 12.46 111.68 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 55.1 m 74.98 -48.22 0.63 Allowed 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.21 0.604 . . . . 10.84 112.237 173.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 44.0 mtp180 -87.27 -74.28 0.44 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.784 0.325 . . . . 12.75 110.641 178.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 783' ' ' GLY . . . . . 0.407 ' O ' ' HB ' ' A' ' 784' ' ' VAL . . . 140.72 -164.05 26.44 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.742 -0.742 . . . . 8.5 112.071 -179.187 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 784' ' ' VAL . . . . . 0.484 ' HA ' ' OE1' ' A' ' 810' ' ' GLU . 93.6 t 77.33 -56.97 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.472 0 C-N-CA 123.345 0.658 . . . . 10.4 110.252 178.05 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -119.29 95.5 4.83 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 108.47 -0.937 . . . . 11.27 108.47 170.253 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 786' ' ' SER . . . . . 0.501 ' HA ' ' HD3' ' A' ' 787' ' ' PRO . 53.4 m -136.42 132.63 18.92 Favored Pre-proline 0 C--N 1.318 -0.766 0 CA-C-N 116.302 -0.408 . . . . 8.95 111.663 -175.423 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 787' ' ' PRO . . . . . 0.501 ' HD3' ' HA ' ' A' ' 786' ' ' SER . 5.3 Cg_endo -87.38 5.37 5.66 Favored 'Trans proline' 0 N--CA 1.456 -0.677 0 C-N-CA 123.5 2.8 . . . . 11.09 111.023 173.585 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 788' ' ' SER . . . . . . . . . . . . . 21.8 t -135.61 157.02 47.91 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-N 114.981 -1.008 . . . . 10.45 108.602 179.489 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -76.34 68.55 2.73 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.873 0.368 . . . . 9.07 111.396 -177.443 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 790' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -116.28 -7.42 11.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.02 -0.536 . . . . 9.34 111.498 178.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 791' ' ' LEU . . . . . . . . . . . . . 4.2 pp -85.67 -3.65 58.94 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 119.709 -0.796 . . . . 8.68 110.258 -175.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -88.13 2.7 51.45 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 114.708 -1.133 . . . . 7.1 109.399 173.447 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 793' ' ' LYS . . . . . . . . . . . . . 7.1 ttpm? -74.64 -32.78 62.38 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.376 -0.829 . . . . 6.3 110.761 179.041 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 2.0 mmmp? -78.28 -174.76 3.87 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.472 -0.786 . . . . 6.55 110.745 -176.432 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -161.17 33.14 0.14 Allowed 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.635 -0.711 . . . . 1.56 109.997 -179.402 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 796' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -78.91 86.21 4.82 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.974 -1.012 . . . . 1.68 109.264 172.282 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 797' ' ' LEU . . . . . . . . . . . . . 22.3 mt -93.57 153.68 18.29 Favored 'General case' 0 N--CA 1.441 -0.914 0 CA-C-O 121.772 0.796 . . . . 0.55 111.198 -172.148 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 798' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -150.39 -174.08 4.64 Favored 'General case' 0 C--N 1.308 -1.215 0 N-CA-C 105.031 -2.211 . . . . 1.31 105.031 171.203 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 799' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.78 143.07 25.15 Favored 'General case' 0 C--N 1.313 -0.989 0 C-N-CA 117.118 -1.833 . . . . 1.78 114.292 -174.19 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 800' ' ' CYS . . . . . 0.631 ' HB2' ' SG ' ' A' ' 819' ' ' CYS . 39.8 t -44.75 108.09 0.11 Allowed 'General case' 0 N--CA 1.446 -0.67 0 CA-C-N 112.124 -2.307 . . . . 0.3 112.18 178.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -65.01 16.2 0.02 OUTLIER 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 113.001 0.741 . . . . 2.42 113.001 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 802' ' ' TYR . . . . . 0.455 ' H ' ' C ' ' A' ' 800' ' ' CYS . 27.8 t80 -110.56 -41.3 4.36 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 110.045 -0.354 . . . . 0.87 110.045 173.404 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 9.1 p -116.56 -35.48 4.23 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 112.77 0.656 . . . . 0.29 112.77 -178.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 96.07 22.52 19.9 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.607 -0.806 . . . . 0.27 112.761 177.448 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 805' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -84.2 129.72 34.87 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 122.508 -0.407 . . . . 2.31 110.056 179.139 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 806' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -84.56 136.4 33.81 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-O 121.299 0.571 . . . . 0.93 111.187 -173.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -161.53 158.14 22.19 Favored Pre-proline 0 N--CA 1.446 -0.668 0 CA-C-N 114.87 -1.059 . . . . 0.31 109.609 -176.328 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 808' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo -59.87 131.17 38.19 Favored 'Trans proline' 0 N--CA 1.457 -0.657 0 C-N-CA 122.349 2.032 . . . . 0.57 110.955 174.347 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 809' ' ' ALA . . . . . . . . . . . . . . . -43.22 -21.44 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 113.944 1.091 . . . . 0.29 113.944 177.6 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 810' ' ' GLU . . . . . 0.504 ' O ' ' HG3' ' A' ' 813' ' ' ARG . 3.0 mm-40 -63.38 -26.44 68.75 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.91 0.707 . . . . 2.86 112.91 179.392 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -76.5 -28.42 56.43 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.13 -0.693 . . . . 1.28 109.13 -178.412 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 812' ' ' PHE . . . . . 0.787 ' HB3' ' HA ' ' A' ' 816' ' ' LYS . 2.7 m-85 -70.29 45.13 0.07 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 114.524 -1.216 . . . . 0.54 112.967 179.294 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 813' ' ' ARG . . . . . 0.504 ' HG3' ' O ' ' A' ' 810' ' ' GLU . 98.4 mtt180 -82.4 145.35 29.93 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.007 -0.738 . . . . 4.06 109.007 173.724 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 93.71 -41.21 2.67 Favored Glycine 0 N--CA 1.445 -0.735 0 N-CA-C 110.976 -0.849 . . . . 2.06 110.976 -170.141 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 12.9 p -171.03 124.98 0.65 Allowed 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 122.584 0.353 . . . . 1.93 110.433 177.655 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 816' ' ' LYS . . . . . 0.787 ' HA ' ' HB3' ' A' ' 812' ' ' PHE . 72.6 mmtt -76.81 54.33 0.98 Allowed 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 121.221 0.534 . . . . 1.66 110.177 179.496 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 817' ' ' ARG . . . . . . . . . . . . . 37.4 mmt180 -140.1 -30.66 0.67 Allowed 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 123.613 0.765 . . . . 3.2 110.233 -171.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 818' ' ' PHE . . . . . 0.601 ' HA ' ' HA ' ' A' ' 800' ' ' CYS . 55.5 m-85 -136.59 164.28 28.57 Favored 'General case' 0 CA--C 1.512 -0.487 0 N-CA-C 109.736 -0.468 . . . . 0.52 109.736 -177.629 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 819' ' ' CYS . . . . . 0.631 ' SG ' ' HB2' ' A' ' 800' ' ' CYS . 0.6 OUTLIER -68.37 -157.41 0.02 OUTLIER 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 108.534 -0.913 . . . . 1.36 108.534 167.174 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 62.1 p -67.49 -137.1 0.0 OUTLIER 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 113.716 1.006 . . . . 1.18 113.716 -159.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 821' ' ' MET . . . . . 0.419 ' SD ' ' HD2' ' A' ' 825' ' ' LYS . 0.0 OUTLIER -73.89 -51.93 14.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 121.014 -1.053 . . . . 2.1 111.153 -159.764 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 822' ' ' THR . . . . . . . . . . . . . 7.4 m -44.23 -50.47 8.81 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 123.548 0.53 . . . . 0.77 112.421 177.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 823' ' ' CYS . . . . . . . . . . . . . 69.0 m -72.37 -47.14 51.79 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 113.282 0.845 . . . . 0.62 113.282 -172.269 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 824' ' ' ALA . . . . . . . . . . . . . . . -60.82 -45.23 95.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.323 0.582 . . . . 0.32 109.896 175.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 825' ' ' LYS . . . . . 0.419 ' HD2' ' SD ' ' A' ' 821' ' ' MET . 42.1 tttp -58.77 -37.09 75.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.16 -0.927 . . . . 2.6 111.867 176.036 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 29.2 tpt180 -66.47 -33.02 74.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 3.53 111.586 -175.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 827' ' ' TYR . . . . . . . . . . . . . 50.0 t80 -85.63 -2.12 57.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.294 -0.412 . . . . 1.49 110.038 -176.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 828' ' ' ASN . . . . . . . . . . . . . 13.4 m120 . . . . . 0 C--O 1.25 1.115 0 CA-C-N 115.929 -0.578 . . . . 3.1 111.64 172.421 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 829' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.744 0 N-CA-C 111.48 -0.648 . . . . 12.46 111.48 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.3 t -93.04 170.25 9.8 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.964 0.412 . . . . 10.84 110.827 -175.325 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 73.1 mtm180 -101.1 115.99 31.79 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.071 -0.513 . . . . 12.75 110.188 -178.43 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . 121.78 44.64 0.37 Allowed Glycine 0 N--CA 1.451 -0.352 0 N-CA-C 111.386 -0.685 . . . . 8.5 111.386 -176.146 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 784' ' ' VAL . . . . . . . . . . . . . 62.4 t -99.37 -54.16 7.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 121.08 0.466 . . . . 10.4 110.777 -177.004 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -80.4 -5.91 57.22 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.43 0.634 . . . . 11.27 109.647 178.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 786' ' ' SER . . . . . 0.71 ' HB3' ' HB2' ' A' ' 792' ' ' ASP . 7.9 m -72.61 144.14 85.8 Favored Pre-proline 0 C--N 1.32 -0.715 0 CA-C-N 114.836 -1.075 . . . . 8.95 111.206 -178.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 787' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -76.91 -16.47 16.11 Favored 'Trans proline' 0 N--CA 1.464 -0.239 0 C-N-CA 122.919 2.413 . . . . 11.09 112.258 178.302 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 788' ' ' SER . . . . . . . . . . . . . 1.3 m -111.48 165.0 12.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.006 -0.543 . . . . 10.45 109.665 178.224 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -72.69 -78.24 0.09 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.669 0.271 . . . . 9.07 111.322 178.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 790' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -105.73 -2.01 23.77 Favored 'General case' 0 CA--C 1.518 -0.255 0 N-CA-C 112.069 0.396 . . . . 9.34 112.069 -178.156 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 791' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -77.42 -14.15 59.77 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.581 0.705 . . . . 8.68 110.74 -176.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 792' ' ' ASP . . . . . 0.71 ' HB2' ' HB3' ' A' ' 786' ' ' SER . 30.1 m-20 -118.4 17.08 13.85 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-N 115.062 -0.972 . . . . 7.1 109.238 176.615 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 793' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -71.0 -24.01 62.3 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 115.026 -0.988 . . . . 6.3 109.574 178.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 794' ' ' LYS . . . . . 0.63 ' HA ' ' HG ' ' A' ' 797' ' ' LEU . 23.4 pttm -75.99 85.48 2.9 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 115.61 -0.723 . . . . 6.55 110.677 177.204 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -69.88 -27.06 64.51 Favored 'General case' 0 CA--C 1.515 -0.378 0 CA-C-O 122.009 0.909 . . . . 1.56 109.102 176.293 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 796' ' ' ASN . . . . . . . . . . . . . 9.7 p30 -161.79 24.45 0.12 Allowed 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 113.906 -1.497 . . . . 1.68 108.86 175.145 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 797' ' ' LEU . . . . . 0.63 ' HG ' ' HA ' ' A' ' 794' ' ' LYS . 21.6 mt -92.43 147.85 22.58 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-O 121.286 0.565 . . . . 0.55 110.444 -170.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 798' ' ' LEU . . . . . 0.519 HD12 ' N ' ' A' ' 799' ' ' LYS . 1.3 pp -146.27 178.95 7.85 Favored 'General case' 0 C--N 1.307 -1.277 0 N-CA-C 105.26 -2.126 . . . . 1.31 105.26 171.579 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 799' ' ' LYS . . . . . 0.519 ' N ' HD12 ' A' ' 798' ' ' LEU . 20.9 pttm -142.02 146.83 35.98 Favored 'General case' 0 N--CA 1.44 -0.963 0 C-N-CA 116.403 -2.119 . . . . 1.78 114.118 -171.598 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 800' ' ' CYS . . . . . 0.748 ' HB2' ' SG ' ' A' ' 819' ' ' CYS . 52.6 t -52.19 102.6 0.05 Allowed 'General case' 0 N--CA 1.443 -0.806 0 CA-C-N 111.747 -2.479 . . . . 0.3 111.398 174.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -67.67 19.13 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 112.973 0.731 . . . . 2.42 112.973 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 802' ' ' TYR . . . . . 0.466 ' H ' ' C ' ' A' ' 800' ' ' CYS . 60.5 t80 -105.44 -44.23 4.76 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.454 -0.573 . . . . 0.87 109.454 171.389 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 19.4 p -114.04 -27.14 7.8 Favored 'General case' 0 N--CA 1.463 0.209 0 N-CA-C 112.414 0.524 . . . . 0.29 112.414 -178.466 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 804' ' ' GLY . . . . . 0.46 ' O ' ' HD2' ' A' ' 799' ' ' LYS . . . 91.62 17.61 48.26 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.284 -0.96 . . . . 0.27 112.367 173.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 805' ' ' LYS . . . . . 0.409 ' HA ' ' HD3' ' A' ' 805' ' ' LYS . 41.8 mmtm -87.02 131.09 34.2 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 110.29 -0.263 . . . . 2.31 110.29 -177.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 806' ' ' TYR . . . . . 0.49 ' CZ ' ' HD3' ' A' ' 799' ' ' LYS . 24.7 m-85 -88.56 137.94 31.87 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-O 120.922 0.392 . . . . 0.93 110.011 -175.438 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -160.21 162.15 24.48 Favored Pre-proline 0 C--N 1.321 -0.64 0 CA-C-N 115.407 -0.815 . . . . 0.31 109.943 -176.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 808' ' ' PRO . . . . . 0.429 ' O ' ' HG2' ' A' ' 811' ' ' GLN . 20.2 Cg_exo -66.05 128.61 19.99 Favored 'Trans proline' 0 N--CA 1.462 -0.376 0 C-N-CA 122.435 2.09 . . . . 0.57 111.355 -178.243 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 809' ' ' ALA . . . . . 0.486 ' O ' ' HE3' ' A' ' 816' ' ' LYS . . . -42.95 -29.72 0.35 Allowed 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 113.697 0.999 . . . . 0.29 113.697 -178.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 22.7 tp10 -57.57 -38.94 75.65 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 123.129 0.572 . . . . 2.86 112.495 -177.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 811' ' ' GLN . . . . . 0.429 ' HG2' ' O ' ' A' ' 808' ' ' PRO . 7.1 pt20 -75.79 -18.88 59.35 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 121.191 -0.203 . . . . 1.28 111.117 -177.238 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 812' ' ' PHE . . . . . 0.561 ' HB3' ' HA ' ' A' ' 816' ' ' LYS . 77.7 m-85 -69.33 62.96 0.15 Allowed 'General case' 0 CA--C 1.53 0.177 0 CA-C-O 121.733 0.778 . . . . 0.54 112.057 174.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 85.8 mtt180 -76.27 -27.28 56.62 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 114.925 -1.034 . . . . 4.06 110.343 174.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . -90.54 51.37 3.31 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.789 -0.72 . . . . 2.06 111.302 174.042 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 39.5 m 73.22 142.45 0.06 Allowed 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 123.553 0.741 . . . . 1.93 111.129 -175.325 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 816' ' ' LYS . . . . . 0.561 ' HA ' ' HB3' ' A' ' 812' ' ' PHE . 13.7 mptt -76.61 59.65 1.55 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.294 0.568 . . . . 1.66 109.822 178.424 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 817' ' ' ARG . . . . . . . . . . . . . 81.7 mtp180 -145.79 -32.22 0.37 Allowed 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.465 -0.789 . . . . 3.2 109.11 -173.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 818' ' ' PHE . . . . . 0.586 ' HB3' ' HB3' ' A' ' 823' ' ' CYS . 62.6 m-85 -139.6 136.06 33.98 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 108.327 -0.99 . . . . 0.52 108.327 177.778 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 819' ' ' CYS . . . . . 0.748 ' SG ' ' HB2' ' A' ' 800' ' ' CYS . 0.8 OUTLIER -73.23 102.1 3.55 Favored 'General case' 0 N--CA 1.445 -0.677 0 C-N-CA 119.742 -0.783 . . . . 1.36 112.29 -170.113 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 5.3 t 87.1 -147.86 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 115.729 -0.668 . . . . 1.18 110.214 162.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 821' ' ' MET . . . . . . . . . . . . . 14.3 tpt -85.19 -61.41 1.78 Allowed 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 111.973 0.361 . . . . 2.1 111.973 -172.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 822' ' ' THR . . . . . . . . . . . . . 25.9 m -45.5 -44.6 12.64 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 123.547 0.739 . . . . 0.77 112.694 177.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 823' ' ' CYS . . . . . 0.586 ' HB3' ' HB3' ' A' ' 818' ' ' PHE . 60.4 m -70.71 -41.67 71.63 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 112.58 0.585 . . . . 0.62 112.58 179.712 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 824' ' ' ALA . . . . . . . . . . . . . . . -61.54 -42.98 99.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.352 0.596 . . . . 0.32 110.019 175.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 14.1 tmtt? -61.76 -37.26 83.63 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.23 -0.896 . . . . 2.6 110.691 176.513 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 826' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' A' ' 826' ' ' ARG . 17.1 tpt180 -64.87 -33.79 76.85 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.866 -0.606 . . . . 3.53 111.288 -173.424 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 827' ' ' TYR . . . . . . . . . . . . . 31.6 t80 -90.78 24.67 2.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.161 0.505 . . . . 1.49 111.291 -178.193 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 828' ' ' ASN . . . . . . . . . . . . . 2.1 p30 . . . . . 0 C--O 1.251 1.138 0 CA-C-O 118.773 -0.632 . . . . 3.1 109.509 175.963 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 829' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.768 0 N-CA-C 112.243 -0.343 . . . . 12.46 112.243 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.3 p -76.2 67.47 2.48 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.385 0.612 . . . . 10.84 111.747 -178.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 12.7 ptm180 -151.32 27.19 0.68 Allowed 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.518 0.675 . . . . 12.75 109.56 177.284 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . 87.42 153.45 24.92 Favored Glycine 0 N--CA 1.445 -0.765 0 CA-C-N 115.443 -0.798 . . . . 8.5 111.277 -174.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 784' ' ' VAL . . . . . 0.491 HG23 ' H ' ' A' ' 786' ' ' SER . 17.0 m -111.11 3.67 8.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-O 121.024 0.44 . . . . 10.4 110.189 -179.589 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 62.14 10.45 3.74 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 115.132 -0.94 . . . . 11.27 111.702 -179.44 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 786' ' ' SER . . . . . 0.499 ' O ' ' HB2' ' A' ' 791' ' ' LEU . 64.9 m -77.21 151.85 81.51 Favored Pre-proline 0 C--N 1.324 -0.531 0 N-CA-C 109.917 -0.401 . . . . 8.95 109.917 176.561 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 787' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 786' ' ' SER . 17.1 Cg_exo -68.03 35.82 0.17 Allowed 'Trans proline' 0 N--CA 1.478 0.575 0 C-N-CA 123.638 2.892 . . . . 11.09 114.021 -175.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 788' ' ' SER . . . . . 0.413 ' H ' ' C ' ' A' ' 786' ' ' SER . 29.4 t -105.7 -159.18 0.69 Allowed 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 108.426 -0.953 . . . . 10.45 108.426 174.798 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -59.92 -26.13 65.69 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.054 0.454 . . . . 9.07 110.722 178.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 790' ' ' GLU . . . . . 0.742 ' HA ' ' HB2' ' A' ' 793' ' ' LYS . 19.1 mm-40 -65.13 -24.6 67.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.701 -0.681 . . . . 9.34 112.258 -178.578 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 791' ' ' LEU . . . . . 0.499 ' HB2' ' O ' ' A' ' 786' ' ' SER . 60.5 tp -67.59 -29.66 69.07 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-O 121.591 0.71 . . . . 8.68 110.973 -172.549 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -113.28 9.18 18.29 Favored 'General case' 0 C--N 1.309 -1.177 0 CA-C-N 114.937 -1.029 . . . . 7.1 109.25 178.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 793' ' ' LYS . . . . . 0.742 ' HB2' ' HA ' ' A' ' 790' ' ' GLU . 20.5 ttpp -70.28 -19.2 63.12 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.593 -0.73 . . . . 6.3 110.456 -175.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 60.1 mttm -69.91 -32.97 71.56 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.652 -0.704 . . . . 6.55 110.232 -179.103 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . 66.43 -3.84 0.79 Allowed 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 115.309 -0.86 . . . . 1.56 113.136 174.333 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 796' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -77.5 68.38 3.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.623 0.725 . . . . 1.68 110.221 178.215 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 797' ' ' LEU . . . . . . . . . . . . . 6.7 mt -105.6 147.88 27.94 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.425 -0.807 . . . . 0.55 110.087 -177.457 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 798' ' ' LEU . . . . . 0.466 HD22 ' C ' ' A' ' 798' ' ' LEU . 0.0 OUTLIER -147.61 176.36 10.14 Favored 'General case' 0 C--N 1.313 -1.009 0 N-CA-C 106.024 -1.843 . . . . 1.31 106.024 173.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 799' ' ' LYS . . . . . 0.445 ' HA ' ' O ' ' A' ' 805' ' ' LYS . 0.0 OUTLIER -134.78 136.32 42.49 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 117.337 -1.745 . . . . 1.78 113.959 -171.42 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 800' ' ' CYS . . . . . 0.579 ' HB2' ' SG ' ' A' ' 819' ' ' CYS . 33.7 t -45.67 118.61 1.86 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 111.9 -2.409 . . . . 0.3 112.753 179.297 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 801' ' ' GLU . . . . . 0.419 ' CD ' HH12 ' A' ' 817' ' ' ARG . 36.5 tt0 -61.11 -1.94 0.54 Allowed 'General case' 0 CA--C 1.542 0.673 0 N-CA-C 113.21 0.819 . . . . 2.42 113.21 178.661 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 802' ' ' TYR . . . . . . . . . . . . . 19.9 t80 -103.09 -46.16 4.72 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 121.453 -0.779 . . . . 0.87 110.999 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 803' ' ' CYS . . . . . 0.442 ' SG ' ' HG3' ' A' ' 805' ' ' LYS . 8.0 p -115.27 -31.77 5.87 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 112.942 0.719 . . . . 0.29 112.942 -178.784 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 96.19 27.07 10.4 Favored Glycine 0 N--CA 1.444 -0.778 0 C-N-CA 120.104 -1.046 . . . . 0.27 112.817 177.217 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 805' ' ' LYS . . . . . 0.445 ' O ' ' HA ' ' A' ' 799' ' ' LYS . 68.8 mttm -75.91 123.73 26.18 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 110.142 -0.318 . . . . 2.31 110.142 176.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 806' ' ' TYR . . . . . . . . . . . . . 70.8 m-85 -86.66 123.99 32.45 Favored 'General case' 0 CA--C 1.512 -0.51 0 N-CA-C 108.429 -0.952 . . . . 0.93 108.429 176.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 807' ' ' ALA . . . . . 0.579 ' HB1' ' HD2' ' A' ' 808' ' ' PRO . . . -157.19 163.11 26.1 Favored Pre-proline 0 C--N 1.315 -0.892 0 CA-C-N 115.61 -0.723 . . . . 0.31 110.176 -173.049 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 808' ' ' PRO . . . . . 0.579 ' HD2' ' HB1' ' A' ' 807' ' ' ALA . 35.1 Cg_endo -65.75 132.05 29.42 Favored 'Trans proline' 0 N--CA 1.457 -0.672 0 C-N-CA 122.019 1.813 . . . . 0.57 111.179 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 809' ' ' ALA . . . . . . . . . . . . . . . -43.91 -28.01 0.41 Allowed 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 114.917 -1.038 . . . . 0.29 112.756 178.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -57.92 -36.43 72.46 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 115.538 -0.756 . . . . 2.86 111.13 178.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -82.02 -27.46 33.06 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 116.033 -0.531 . . . . 1.28 109.953 -173.798 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 812' ' ' PHE . . . . . 0.5 ' O ' ' HD2' ' A' ' 816' ' ' LYS . 54.2 m-85 -68.93 57.23 0.09 Allowed 'General case' 0 C--O 1.232 0.147 0 CA-C-O 121.775 0.798 . . . . 0.54 112.259 175.466 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 49.3 mtt180 -80.09 17.28 1.03 Allowed 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 114.87 -1.059 . . . . 4.06 110.771 176.29 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . -91.55 36.41 3.65 Favored Glycine 0 N--CA 1.442 -0.918 0 N-CA-C 109.459 -1.456 . . . . 2.06 109.459 163.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 20.8 m 59.37 42.37 18.15 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 123.41 0.684 . . . . 1.93 111.943 -177.087 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 816' ' ' LYS . . . . . 0.5 ' HD2' ' O ' ' A' ' 812' ' ' PHE . 0.9 OUTLIER 53.25 56.17 7.79 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 115.478 -0.783 . . . . 1.66 111.072 171.948 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 817' ' ' ARG . . . . . 0.419 HH12 ' CD ' ' A' ' 801' ' ' GLU . 15.3 mmm180 -143.53 -42.25 0.29 Allowed 'General case' 0 C--N 1.314 -0.968 0 N-CA-C 107.56 -1.274 . . . . 3.2 107.56 -179.742 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 818' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -134.51 161.41 35.13 Favored 'General case' 0 N--CA 1.435 -1.223 0 CA-C-N 114.155 -1.384 . . . . 0.52 108.361 175.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 819' ' ' CYS . . . . . 0.579 ' SG ' ' HB2' ' A' ' 800' ' ' CYS . 0.6 OUTLIER -67.88 -158.62 0.02 OUTLIER 'General case' 0 C--N 1.314 -0.961 0 N-CA-C 108.641 -0.874 . . . . 1.36 108.641 171.9 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 19.6 p -67.84 -151.81 0.01 OUTLIER 'General case' 0 CA--C 1.553 1.086 0 CA-C-N 118.642 0.655 . . . . 1.18 112.697 -161.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 821' ' ' MET . . . . . 0.446 ' CE ' ' HA ' ' A' ' 821' ' ' MET . 3.3 mmt -70.18 -48.84 55.45 Favored 'General case' 0 C--N 1.328 -0.329 0 O-C-N 121.085 -1.009 . . . . 2.1 112.431 -159.665 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 822' ' ' THR . . . . . . . . . . . . . 8.8 m -45.61 -50.6 13.1 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 123.61 0.569 . . . . 0.77 111.944 175.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 823' ' ' CYS . . . . . . . . . . . . . 85.3 m -71.81 -53.36 13.57 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 113.026 0.75 . . . . 0.62 113.026 -176.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 824' ' ' ALA . . . . . . . . . . . . . . . -56.61 -47.59 79.3 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-O 120.507 0.194 . . . . 0.32 111.477 -179.164 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 13.6 ptmm? -64.19 -31.93 73.32 Favored 'General case' 0 CA--C 1.522 -0.124 0 CA-C-N 116.716 -0.22 . . . . 2.6 111.12 -176.027 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 70.3 ttt180 -72.69 -23.12 60.83 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 121.277 0.56 . . . . 3.53 110.343 -174.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 827' ' ' TYR . . . . . 0.4 ' O ' ' HB2' ' A' ' 828' ' ' ASN . 70.3 t80 -85.39 -13.37 49.58 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.631 -0.713 . . . . 1.49 109.296 175.755 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 828' ' ' ASN . . . . . 0.4 ' HB2' ' O ' ' A' ' 827' ' ' TYR . 0.9 OUTLIER . . . . . 0 C--O 1.246 0.91 0 CA-C-O 118.206 -0.902 . . . . 3.1 110.795 177.604 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 829' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.569 0 N-CA-C 112.074 -0.41 . . . . 12.46 112.074 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 26.4 m -90.14 98.24 11.66 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 110.176 -0.305 . . . . 10.84 110.176 179.274 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.428 ' O ' ' HD2' ' A' ' 793' ' ' LYS . 79.7 ttt180 -94.74 -39.58 10.22 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.329 -0.619 . . . . 12.75 109.329 176.457 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 783' ' ' GLY . . . . . 0.737 ' HA3' ' HD3' ' A' ' 793' ' ' LYS . . . 163.74 112.32 0.27 Allowed Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.973 -0.632 . . . . 8.5 112.458 178.439 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 784' ' ' VAL . . . . . . . . . . . . . 41.2 t -97.83 89.75 2.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 110.14 -0.319 . . . . 10.4 110.14 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 37.3 t70 66.2 113.81 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.547 0 O-C-N 124.199 0.937 . . . . 11.27 111.379 -179.259 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 786' ' ' SER . . . . . . . . . . . . . 34.5 m -54.46 120.49 26.93 Favored Pre-proline 0 C--N 1.326 -0.452 0 CA-C-N 115.766 -0.652 . . . . 8.95 111.795 -177.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 787' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_endo -76.11 -9.79 19.3 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.761 2.308 . . . . 11.09 112.063 178.49 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 788' ' ' SER . . . . . . . . . . . . . 70.9 m -158.13 147.9 19.89 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.38 -0.827 . . . . 10.45 108.978 179.212 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -78.31 -42.34 31.07 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.217 -0.447 . . . . 9.07 111.375 -176.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 790' ' ' GLU . . . . . . . . . . . . . 50.2 mm-40 -84.6 -50.44 7.68 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.266 0.555 . . . . 9.34 109.693 177.286 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 791' ' ' LEU . . . . . 0.692 HD11 ' HG2' ' A' ' 810' ' ' GLU . 92.4 mt -82.93 50.35 1.7 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.522 -0.763 . . . . 8.68 110.176 177.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 792' ' ' ASP . . . . . 0.444 ' C ' ' H ' ' A' ' 794' ' ' LYS . 8.2 t70 -67.84 93.07 0.38 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.684 -0.689 . . . . 7.1 110.864 -179.769 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 793' ' ' LYS . . . . . 0.737 ' HD3' ' HA3' ' A' ' 783' ' ' GLY . 35.6 mtmm 69.22 -4.85 1.19 Allowed 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.725 -0.67 . . . . 6.3 111.645 173.615 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 794' ' ' LYS . . . . . 0.444 ' H ' ' C ' ' A' ' 792' ' ' ASP . 0.1 OUTLIER 75.71 115.7 0.06 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 114.603 -1.181 . . . . 6.55 110.94 179.661 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -167.04 56.73 0.08 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 122.085 0.945 . . . . 1.56 109.461 -178.001 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 796' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -158.19 59.53 0.46 Allowed 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 114.205 -1.361 . . . . 1.68 107.538 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 797' ' ' LEU . . . . . . . . . . . . . 11.5 mt -94.8 148.69 22.03 Favored 'General case' 0 N--CA 1.441 -0.878 0 CA-C-O 121.843 0.83 . . . . 0.55 111.502 -165.241 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 798' ' ' LEU . . . . . 0.603 HD12 ' N ' ' A' ' 799' ' ' LYS . 3.1 pp -147.32 179.9 7.32 Favored 'General case' 0 C--N 1.31 -1.118 0 N-CA-C 104.444 -2.428 . . . . 1.31 104.444 171.039 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 799' ' ' LYS . . . . . 0.603 ' N ' HD12 ' A' ' 798' ' ' LEU . 0.1 OUTLIER -144.17 141.12 29.75 Favored 'General case' 0 C--N 1.316 -0.881 0 C-N-CA 116.332 -2.147 . . . . 1.78 115.08 -173.366 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 800' ' ' CYS . . . . . 0.544 ' HB2' ' SG ' ' A' ' 819' ' ' CYS . 47.3 t -46.02 103.05 0.03 OUTLIER 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 110.907 -2.86 . . . . 0.3 112.41 175.036 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 801' ' ' GLU . . . . . 0.407 ' OE1' ' HE3' ' A' ' 799' ' ' LYS . 5.2 mm-40 -69.72 21.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 113.439 0.903 . . . . 2.42 113.439 -177.733 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 802' ' ' TYR . . . . . . . . . . . . . 85.8 t80 -108.14 -51.95 2.83 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.806 0.336 . . . . 0.87 110.157 169.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 6.4 p -107.42 -24.32 11.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.671 -0.24 . . . . 0.29 111.332 -177.575 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 92.36 17.27 46.83 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.653 -0.784 . . . . 0.27 113.371 169.468 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 805' ' ' LYS . . . . . 0.457 ' O ' ' HB2' ' A' ' 799' ' ' LYS . 88.0 mttt -84.98 133.07 34.27 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.66 -0.416 . . . . 2.31 110.969 -178.705 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 806' ' ' TYR . . . . . . . . . . . . . 67.2 m-85 -88.82 136.11 33.18 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.621 -0.718 . . . . 0.93 110.201 -178.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 807' ' ' ALA . . . . . 0.631 ' HB1' ' HD2' ' A' ' 808' ' ' PRO . . . -160.84 167.11 14.18 Favored Pre-proline 0 C--N 1.321 -0.636 0 CA-C-N 114.901 -1.045 . . . . 0.31 109.712 -174.327 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 808' ' ' PRO . . . . . 0.631 ' HD2' ' HB1' ' A' ' 807' ' ' ALA . 29.8 Cg_endo -64.25 129.82 25.26 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 121.969 1.779 . . . . 0.57 111.427 178.496 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 809' ' ' ALA . . . . . . . . . . . . . . . -45.48 -27.07 0.66 Allowed 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 115.132 -0.94 . . . . 0.29 112.575 179.341 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 810' ' ' GLU . . . . . 0.692 ' HG2' HD11 ' A' ' 791' ' ' LEU . 2.4 tp10 -63.6 -27.78 69.48 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 114.981 -1.009 . . . . 2.86 111.826 -179.064 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -73.02 -29.11 62.77 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.028 0.442 . . . . 1.28 109.892 -177.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 812' ' ' PHE . . . . . 0.899 ' HB2' ' HD3' ' A' ' 816' ' ' LYS . 43.4 m-85 -73.24 66.3 0.89 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.573 -0.74 . . . . 0.54 111.917 -177.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 24.1 mmt180 -77.81 -36.11 50.59 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.778 -0.647 . . . . 4.06 110.796 175.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 814' ' ' GLY . . . . . 0.446 ' O ' ' HB3' ' A' ' 815' ' ' SER . . . -84.25 56.72 5.04 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.725 -0.75 . . . . 2.06 111.247 177.128 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 815' ' ' SER . . . . . 0.446 ' HB3' ' O ' ' A' ' 814' ' ' GLY . 33.6 t 76.49 141.9 0.07 Allowed 'General case' 0 CA--C 1.531 0.213 0 CA-C-O 121.528 0.68 . . . . 1.93 110.467 -174.223 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 816' ' ' LYS . . . . . 0.899 ' HD3' ' HB2' ' A' ' 812' ' ' PHE . 4.9 tppt? -75.01 15.98 0.35 Allowed 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 115.266 -0.879 . . . . 1.66 111.602 -173.086 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 817' ' ' ARG . . . . . 0.519 ' O ' ' HA ' ' A' ' 800' ' ' CYS . 70.6 mtm180 -95.89 -30.09 13.84 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 123.178 0.591 . . . . 3.2 111.125 -178.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 818' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -136.57 140.03 42.6 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 110.351 -0.24 . . . . 0.52 110.351 -170.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 819' ' ' CYS . . . . . 0.544 ' SG ' ' HB2' ' A' ' 800' ' ' CYS . 0.8 OUTLIER -72.5 100.01 2.63 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 120.803 -0.359 . . . . 1.36 110.569 -175.098 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 8.6 t 82.5 -165.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.924 -1.139 . . . . 1.18 107.924 168.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 821' ' ' MET . . . . . 0.636 ' O ' ' HG2' ' A' ' 825' ' ' LYS . 2.5 mpt? -91.04 -40.76 11.45 Favored 'General case' 0 C--O 1.22 -0.489 0 CA-C-N 119.775 1.171 . . . . 2.1 113.004 -177.711 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 822' ' ' THR . . . . . . . . . . . . . 25.7 m -47.09 -44.23 21.05 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 118.475 0.579 . . . . 0.77 111.599 175.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 823' ' ' CYS . . . . . 0.453 ' HB2' ' O ' ' A' ' 819' ' ' CYS . 25.7 m -73.91 -40.1 63.39 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-O 120.854 0.359 . . . . 0.62 111.684 177.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 824' ' ' ALA . . . . . . . . . . . . . . . -58.46 -41.73 85.85 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.769 -0.651 . . . . 0.32 111.526 178.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 825' ' ' LYS . . . . . 0.636 ' HG2' ' O ' ' A' ' 821' ' ' MET . 13.3 mmmm -63.2 -39.08 93.62 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-O 121.958 0.885 . . . . 2.6 110.342 179.03 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 826' ' ' ARG . . . . . 0.756 ' HE ' ' HA ' ' A' ' 826' ' ' ARG . 0.3 OUTLIER -66.36 -21.47 66.24 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 114.018 -1.446 . . . . 3.53 110.755 -172.012 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 827' ' ' TYR . . . . . . . . . . . . . 23.5 t80 -57.96 -43.49 86.49 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.613 -0.721 . . . . 1.49 111.122 176.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 828' ' ' ASN . . . . . 0.602 HD22 ' N ' ' A' ' 828' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.039 0 CA-C-N 115.245 -0.888 . . . . 3.1 110.616 -173.434 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 829' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.853 0 N-CA-C 112.142 -0.383 . . . . 12.46 112.142 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 95.2 m -75.38 114.12 13.54 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.074 0.464 . . . . 10.84 111.058 -177.117 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 82.9 mtt180 -111.48 78.89 1.15 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.716 -0.675 . . . . 12.75 109.431 175.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -102.08 23.51 34.28 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.749 -0.738 . . . . 8.5 112.116 -176.6 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 784' ' ' VAL . . . . . . . . . . . . . 45.0 t -116.9 93.25 2.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 109.797 -0.446 . . . . 10.4 109.797 -179.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 19.2 t70 61.26 79.24 0.26 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.508 -0.769 . . . . 11.27 110.741 178.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 786' ' ' SER . . . . . 0.41 ' O ' ' HB2' ' A' ' 790' ' ' GLU . 66.6 m -147.12 121.57 5.13 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 115.75 -0.659 . . . . 8.95 110.871 -177.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 787' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -68.27 -24.06 38.08 Favored 'Trans proline' 0 CA--C 1.533 0.432 0 C-N-CA 122.813 2.342 . . . . 11.09 113.157 -176.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 788' ' ' SER . . . . . . . . . . . . . 70.1 m -109.66 -41.65 4.5 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.022 0.439 . . . . 10.45 110.839 177.215 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -85.2 10.37 12.52 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.554 0.575 . . . . 9.07 112.554 -171.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 790' ' ' GLU . . . . . 0.41 ' HB2' ' O ' ' A' ' 786' ' ' SER . 30.5 mt-10 -117.98 13.12 13.89 Favored 'General case' 0 CA--C 1.512 -0.516 0 C-N-CA 120.966 -0.294 . . . . 9.34 111.265 173.179 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 791' ' ' LEU . . . . . . . . . . . . . 82.6 mt -78.53 6.67 8.1 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.741 0.781 . . . . 8.68 110.554 -177.346 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -108.17 22.23 16.24 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 114.387 -1.279 . . . . 7.1 109.714 175.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 793' ' ' LYS . . . . . . . . . . . . . 26.6 ttpp -160.84 -48.91 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.736 -0.666 . . . . 6.3 110.032 -172.672 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm -90.41 34.76 0.87 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.179 -0.464 . . . . 6.55 111.296 178.142 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -73.29 -87.2 0.03 OUTLIER 'General case' 0 N--CA 1.444 -0.736 0 N-CA-C 109.397 -0.594 . . . . 1.56 109.397 179.019 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 796' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 33.9 54.2 0.54 Allowed 'General case' 0 N--CA 1.468 0.464 0 O-C-N 124.444 1.09 . . . . 1.68 111.506 178.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 797' ' ' LEU . . . . . . . . . . . . . 18.8 mt -87.36 150.88 23.54 Favored 'General case' 0 N--CA 1.441 -0.88 0 CA-C-O 121.607 0.717 . . . . 0.55 110.532 -171.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 798' ' ' LEU . . . . . 0.441 HD22 ' C ' ' A' ' 798' ' ' LEU . 0.0 OUTLIER -149.94 177.0 10.25 Favored 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 105.259 -2.126 . . . . 1.31 105.259 170.428 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 799' ' ' LYS . . . . . 0.592 ' HD3' ' CZ ' ' A' ' 806' ' ' TYR . 23.0 pttm -137.21 141.56 42.1 Favored 'General case' 0 C--N 1.317 -0.829 0 C-N-CA 117.161 -1.816 . . . . 1.78 113.29 -174.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 800' ' ' CYS . . . . . 0.521 ' HA ' ' HA ' ' A' ' 818' ' ' PHE . 36.1 t -45.95 110.54 0.27 Allowed 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 111.488 -2.596 . . . . 0.3 111.562 174.244 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 801' ' ' GLU . . . . . 0.521 ' HB3' ' CE1' ' A' ' 818' ' ' PHE . 21.1 tt0 -61.11 0.14 0.27 Allowed 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.061 0.544 . . . . 2.42 112.412 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 802' ' ' TYR . . . . . . . . . . . . . 66.2 t80 -98.66 -48.38 4.99 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 121.831 -0.543 . . . . 0.87 110.025 -178.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 803' ' ' CYS . . . . . 0.421 ' SG ' ' HG2' ' A' ' 805' ' ' LYS . 4.9 p -116.28 -27.02 6.97 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 113.276 0.843 . . . . 0.29 113.276 -178.766 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 804' ' ' GLY . . . . . 0.435 ' HA2' ' HD2' ' A' ' 799' ' ' LYS . . . 96.35 19.78 27.0 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 119.835 -1.174 . . . . 0.27 113.171 175.025 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 805' ' ' LYS . . . . . 0.421 ' HG2' ' SG ' ' A' ' 803' ' ' CYS . 2.2 mmmp? -78.09 127.18 31.92 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.795 0.298 . . . . 2.31 110.286 179.09 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 806' ' ' TYR . . . . . 0.592 ' CZ ' ' HD3' ' A' ' 799' ' ' LYS . 96.8 m-85 -87.82 133.43 33.89 Favored 'General case' 0 CA--C 1.515 -0.388 0 N-CA-C 109.361 -0.607 . . . . 0.93 109.361 178.747 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 807' ' ' ALA . . . . . 0.439 ' O ' ' HE1' ' A' ' 812' ' ' PHE . . . -157.51 157.39 30.0 Favored Pre-proline 0 C--N 1.318 -0.764 0 CA-C-N 115.59 -0.732 . . . . 0.31 110.047 -173.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 808' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -62.65 128.93 24.72 Favored 'Trans proline' 0 N--CA 1.459 -0.539 0 C-N-CA 122.448 2.099 . . . . 0.57 109.737 176.088 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 809' ' ' ALA . . . . . . . . . . . . . . . -41.68 -24.69 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 114.52 1.304 . . . . 0.29 114.52 -176.512 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -62.34 -28.42 69.74 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 111.926 0.343 . . . . 2.86 111.926 178.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.45 -1.4 57.01 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.865 0.84 . . . . 1.28 109.37 -173.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 812' ' ' PHE . . . . . 0.439 ' HE1' ' O ' ' A' ' 807' ' ' ALA . 80.2 m-85 -96.53 67.61 2.44 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.137 -0.938 . . . . 0.54 109.495 -177.087 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 10.5 mmm180 -74.45 138.11 43.05 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.242 -1.344 . . . . 4.06 110.432 178.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 99.18 -41.39 2.21 Favored Glycine 0 N--CA 1.443 -0.849 0 N-CA-C 111.195 -0.762 . . . . 2.06 111.195 -179.552 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 26.5 t -175.49 137.04 0.36 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.432 -0.581 . . . . 1.93 109.432 178.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 816' ' ' LYS . . . . . 0.405 ' HA ' ' HB3' ' A' ' 812' ' ' PHE . 70.2 mmtt -76.08 55.04 0.9 Allowed 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 121.348 0.594 . . . . 1.66 109.453 177.355 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 817' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -147.52 -30.34 0.32 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.964 -1.016 . . . . 3.2 109.298 -172.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 818' ' ' PHE . . . . . 0.521 ' HA ' ' HA ' ' A' ' 800' ' ' CYS . 93.6 m-85 -134.13 149.0 51.05 Favored 'General case' 0 N--CA 1.436 -1.131 0 N-CA-C 107.63 -1.248 . . . . 0.52 107.63 174.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 819' ' ' CYS . . . . . 0.447 ' SG ' ' HB2' ' A' ' 800' ' ' CYS . 1.4 p -68.7 -159.23 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 108.627 -0.879 . . . . 1.36 108.627 173.62 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 15.5 p -62.64 -123.1 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 115.145 1.535 . . . . 1.18 115.145 -157.714 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 821' ' ' MET . . . . . . . . . . . . . 4.0 mmt -84.25 -54.23 4.95 Favored 'General case' 0 C--N 1.321 -0.661 0 O-C-N 120.907 -1.12 . . . . 2.1 111.604 -161.002 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 822' ' ' THR . . . . . . . . . . . . . 86.0 m -44.66 -55.98 4.78 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 123.878 0.736 . . . . 0.77 111.78 177.299 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 823' ' ' CYS . . . . . . . . . . . . . 98.1 m -69.3 -53.98 16.97 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 113.632 0.975 . . . . 0.62 113.632 -172.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 824' ' ' ALA . . . . . . . . . . . . . . . -59.67 -43.61 93.92 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 120.96 -0.296 . . . . 0.32 111.696 -177.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 54.9 pttt -71.35 -35.81 71.28 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.833 -0.347 . . . . 2.6 111.494 -178.273 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 1.9 tpm_? -73.5 -21.18 60.48 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.026 0.441 . . . . 3.53 110.435 -173.081 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 827' ' ' TYR . . . . . . . . . . . . . 33.9 t80 -82.85 12.2 5.13 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.271 -0.422 . . . . 1.49 110.972 -178.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 828' ' ' ASN . . . . . . . . . . . . . 6.6 p30 . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.255 -0.879 . . . . 3.1 109.652 175.555 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 829' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.639 0 N-CA-C 112.323 -0.311 . . . . 12.46 112.323 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.542 ' HA ' ' HB3' ' A' ' 791' ' ' LEU . 3.7 m 58.69 52.52 6.71 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-O 121.486 0.66 . . . . 10.84 110.665 179.546 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 22.5 tpp180 -146.68 103.23 3.63 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.112 -0.494 . . . . 12.75 110.789 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -137.56 158.59 24.57 Favored Glycine 0 N--CA 1.443 -0.843 0 N-CA-C 111.107 -0.797 . . . . 8.5 111.107 175.187 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 784' ' ' VAL . . . . . . . . . . . . . 39.1 t -70.4 -67.3 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 109.701 -0.481 . . . . 10.4 109.701 179.206 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -151.22 72.94 1.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.771 -0.825 . . . . 11.27 108.771 174.017 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 786' ' ' SER . . . . . . . . . . . . . 14.6 m -113.03 120.07 41.25 Favored Pre-proline 0 C--N 1.319 -0.734 0 CA-C-N 115.641 -0.709 . . . . 8.95 111.474 -173.066 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 787' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -83.24 -14.97 8.04 Favored 'Trans proline' 0 N--CA 1.461 -0.431 0 C-N-CA 122.855 2.37 . . . . 11.09 111.196 171.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 788' ' ' SER . . . . . . . . . . . . . 6.6 p -90.11 179.37 5.95 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.506 -0.77 . . . . 10.45 110.4 179.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -83.0 52.27 2.13 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.082 0.468 . . . . 9.07 111.297 -176.139 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 790' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -87.95 8.75 24.87 Favored 'General case' 0 CA--C 1.516 -0.355 0 CA-C-N 116.16 -0.473 . . . . 9.34 111.514 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 791' ' ' LEU . . . . . 0.542 ' HB3' ' HA ' ' A' ' 2' ' ' THR . 81.5 mt -79.96 7.23 9.35 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.218 0.532 . . . . 8.68 110.565 -176.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -113.38 7.33 17.59 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.101 -0.954 . . . . 7.1 109.783 -179.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 793' ' ' LYS . . . . . . . . . . . . . 50.7 mtpt -72.79 -18.94 61.43 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.329 -0.85 . . . . 6.3 111.829 -178.139 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 794' ' ' LYS . . . . . 0.422 ' HE2' ' OD1' ' A' ' 796' ' ' ASN . 14.0 mmmm -74.36 117.43 16.16 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.415 0.626 . . . . 6.55 110.282 -178.837 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -159.08 30.03 0.21 Allowed 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 114.95 -1.023 . . . . 1.56 109.587 179.104 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 796' ' ' ASN . . . . . 0.422 ' OD1' ' HE2' ' A' ' 794' ' ' LYS . 0.8 OUTLIER -82.49 89.11 6.61 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.448 -1.251 . . . . 1.68 109.375 174.685 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 797' ' ' LEU . . . . . . . . . . . . . 28.6 mt -93.08 144.66 25.05 Favored 'General case' 0 N--CA 1.44 -0.972 0 CA-C-O 121.18 0.514 . . . . 0.55 110.716 -171.199 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 798' ' ' LEU . . . . . 0.488 HD12 ' N ' ' A' ' 799' ' ' LYS . 0.7 OUTLIER -143.0 176.47 9.06 Favored 'General case' 0 C--N 1.305 -1.362 0 N-CA-C 104.309 -2.478 . . . . 1.31 104.309 171.341 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 799' ' ' LYS . . . . . 0.488 ' N ' HD12 ' A' ' 798' ' ' LEU . 18.6 pttp -141.54 151.67 43.43 Favored 'General case' 0 N--CA 1.438 -1.065 0 C-N-CA 116.432 -2.107 . . . . 1.78 113.891 -173.191 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 800' ' ' CYS . . . . . 0.555 ' HA ' ' HA ' ' A' ' 818' ' ' PHE . 52.6 t -51.64 100.83 0.03 OUTLIER 'General case' 0 N--CA 1.436 -1.158 0 CA-C-N 111.628 -2.533 . . . . 0.3 110.365 172.471 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -65.43 23.79 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.392 0.516 . . . . 2.42 112.392 178.359 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 802' ' ' TYR . . . . . 0.525 ' H ' ' C ' ' A' ' 800' ' ' CYS . 30.2 t80 -108.86 -85.11 0.54 Allowed 'General case' 0 N--CA 1.442 -0.83 0 N-CA-C 107.952 -1.129 . . . . 0.87 107.952 165.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 3.8 p -65.25 -39.28 92.47 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 113.098 0.777 . . . . 0.29 113.098 177.498 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 804' ' ' GLY . . . . . 0.436 ' CA ' ' HD2' ' A' ' 799' ' ' LYS . . . 97.49 26.62 9.82 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.219 -0.991 . . . . 0.27 113.189 179.05 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 805' ' ' LYS . . . . . . . . . . . . . 30.0 mtpp -84.83 128.78 34.77 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.925 0.362 . . . . 2.31 110.198 178.377 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 806' ' ' TYR . . . . . 0.464 ' CZ ' ' HD3' ' A' ' 799' ' ' LYS . 83.3 m-85 -87.11 134.47 33.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.87 0.366 . . . . 0.93 110.126 -178.006 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -157.53 159.61 30.66 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 115.568 -0.742 . . . . 0.31 109.754 -175.103 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 808' ' ' PRO . . . . . 0.515 ' HB2' ' HG2' ' A' ' 810' ' ' GLU . 37.3 Cg_exo -62.17 128.61 24.45 Favored 'Trans proline' 0 N--CA 1.462 -0.375 0 C-N-CA 122.12 1.88 . . . . 0.57 111.629 178.453 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 809' ' ' ALA . . . . . . . . . . . . . . . -41.7 -27.1 0.09 Allowed 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 114.264 1.209 . . . . 0.29 114.264 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 810' ' ' GLU . . . . . 0.515 ' HG2' ' HB2' ' A' ' 808' ' ' PRO . 1.3 pm0 -60.89 -24.93 66.35 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.297 0.481 . . . . 2.86 112.297 179.219 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 811' ' ' GLN . . . . . 0.441 ' O ' ' HG2' ' A' ' 811' ' ' GLN . 5.4 tt0 -83.75 -5.17 59.13 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 121.464 0.649 . . . . 1.28 110.026 -177.633 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 812' ' ' PHE . . . . . 0.688 ' HB3' ' HA ' ' A' ' 816' ' ' LYS . 56.0 m-85 -96.59 48.08 1.07 Allowed 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.678 0.752 . . . . 0.54 110.02 -171.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 65.3 mtp180 -81.65 -4.79 57.11 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.097 -0.956 . . . . 4.06 110.792 179.388 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 814' ' ' GLY . . . . . 0.442 ' O ' ' HB2' ' A' ' 815' ' ' SER . . . -96.65 48.37 1.66 Allowed Glycine 0 N--CA 1.446 -0.649 0 N-CA-C 109.959 -1.256 . . . . 2.06 109.959 168.765 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 815' ' ' SER . . . . . 0.442 ' HB2' ' O ' ' A' ' 814' ' ' GLY . 74.8 m 71.14 141.71 0.05 Allowed 'General case' 0 C--O 1.234 0.253 0 CA-C-O 121.525 0.679 . . . . 1.93 110.485 -169.379 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 816' ' ' LYS . . . . . 0.688 ' HA ' ' HB3' ' A' ' 812' ' ' PHE . 33.0 mmtp -75.39 58.95 1.02 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.639 -0.71 . . . . 1.66 110.086 -177.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 817' ' ' ARG . . . . . . . . . . . . . 29.3 mtm180 -140.86 -36.41 0.46 Allowed 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.08 -0.711 . . . . 3.2 109.08 -173.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 818' ' ' PHE . . . . . 0.555 ' HA ' ' HA ' ' A' ' 800' ' ' CYS . 77.5 m-85 -133.81 159.1 41.63 Favored 'General case' 0 N--CA 1.44 -0.929 0 N-CA-C 108.829 -0.804 . . . . 0.52 108.829 -179.706 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 819' ' ' CYS . . . . . 0.537 ' SG ' ' HB2' ' A' ' 800' ' ' CYS . 0.5 OUTLIER -68.28 -161.17 0.03 OUTLIER 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 108.864 -0.791 . . . . 1.36 108.864 171.797 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 22.8 t -67.8 -116.67 0.0 OUTLIER 'General case' 0 CA--C 1.547 0.865 0 N-CA-C 113.19 0.811 . . . . 1.18 113.19 -158.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 821' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -85.27 -61.54 1.74 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 120.54 -1.35 . . . . 2.1 112.054 -166.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 822' ' ' THR . . . . . . . . . . . . . 10.0 m -45.93 -49.05 16.16 Favored 'General case' 0 C--N 1.32 -0.684 0 O-C-N 123.721 0.638 . . . . 0.77 112.489 -179.037 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 823' ' ' CYS . . . . . . . . . . . . . 84.5 m -74.5 -44.75 49.91 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 114.23 1.196 . . . . 0.62 114.23 -175.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 824' ' ' ALA . . . . . 0.455 ' O ' ' HB3' ' A' ' 827' ' ' TYR . . . -60.57 -36.34 78.24 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 118.788 0.722 . . . . 0.32 109.874 173.779 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 63.6 tttt -62.73 -39.27 93.56 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 115.748 -0.66 . . . . 2.6 111.234 172.241 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 73.5 ttt180 -68.79 -24.22 64.38 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.232 -0.895 . . . . 3.53 111.105 -175.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 827' ' ' TYR . . . . . 0.455 ' HB3' ' O ' ' A' ' 824' ' ' ALA . 14.3 t80 -57.67 -28.69 64.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.37 -0.832 . . . . 1.49 111.292 175.085 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 828' ' ' ASN . . . . . . . . . . . . . 12.6 m120 . . . . . 0 C--O 1.249 1.033 0 CA-C-N 115.008 -0.997 . . . . 3.1 109.871 -175.28 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 829' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.784 0 N-CA-C 112.382 -0.287 . . . . 12.46 112.382 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.9 t -144.14 -179.02 6.24 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.707 -0.479 . . . . 10.84 109.707 178.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 52.1 mtt180 -132.41 151.07 52.02 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 110.312 -0.255 . . . . 12.75 110.312 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . 80.83 161.89 26.79 Favored Glycine 0 N--CA 1.447 -0.616 0 CA-C-N 115.852 -0.613 . . . . 8.5 113.322 172.17 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 784' ' ' VAL . . . . . . . . . . . . . 58.1 t -94.96 -41.63 12.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 121.5 0.666 . . . . 10.4 109.221 176.138 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -125.75 80.35 1.89 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.111 -0.949 . . . . 11.27 109.569 175.513 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 786' ' ' SER . . . . . 0.409 ' HA ' ' HD3' ' A' ' 787' ' ' PRO . 43.4 m -135.7 121.41 13.85 Favored Pre-proline 0 C--N 1.321 -0.658 0 CA-C-N 116.122 -0.49 . . . . 8.95 110.489 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 787' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 786' ' ' SER . 21.4 Cg_exo -66.77 -49.14 1.67 Allowed 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 123.176 2.584 . . . . 11.09 111.947 177.645 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 788' ' ' SER . . . . . 0.527 ' HB3' ' HB2' ' A' ' 791' ' ' LEU . 29.2 t -94.81 137.45 33.88 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.046 -0.525 . . . . 10.45 110.063 176.575 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -78.5 -10.88 59.89 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.834 -0.621 . . . . 9.07 111.062 178.151 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 790' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -104.35 -40.99 5.89 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.13 0.491 . . . . 9.34 110.437 176.181 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 791' ' ' LEU . . . . . 0.527 ' HB2' ' HB3' ' A' ' 788' ' ' SER . 3.7 mm? -93.4 57.95 2.72 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.847 -0.615 . . . . 8.68 109.483 176.819 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -74.12 74.44 1.75 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.735 -0.666 . . . . 7.1 111.912 -176.171 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 793' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp 70.74 -71.21 0.13 Allowed 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 115.551 -0.749 . . . . 6.3 110.942 178.672 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 69.2 mmtt 67.61 -73.28 0.08 Allowed 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 123.534 0.734 . . . . 6.55 112.395 175.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . 60.65 33.77 20.23 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.467 0.651 . . . . 1.56 110.116 -171.125 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 796' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -78.67 89.32 4.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.383 -0.826 . . . . 1.68 110.071 176.06 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 797' ' ' LEU . . . . . . . . . . . . . 18.0 mt -93.16 148.28 22.15 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.505 -0.771 . . . . 0.55 109.967 -177.367 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 798' ' ' LEU . . . . . 0.464 HD22 ' C ' ' A' ' 798' ' ' LEU . 0.0 OUTLIER -146.94 142.22 27.33 Favored 'General case' 0 C--N 1.311 -1.078 0 N-CA-C 107.138 -1.43 . . . . 1.31 107.138 173.558 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 799' ' ' LYS . . . . . 0.441 ' HD3' ' CZ ' ' A' ' 806' ' ' TYR . 22.1 pttm -100.26 135.61 41.43 Favored 'General case' 0 C--N 1.319 -0.741 0 C-N-CA 118.329 -1.348 . . . . 1.78 113.372 -165.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 800' ' ' CYS . . . . . . . . . . . . . 1.8 t -47.38 112.03 0.49 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 112.816 -1.993 . . . . 0.3 112.051 174.487 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -68.02 21.45 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 114.121 1.156 . . . . 2.42 114.121 -177.351 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 802' ' ' TYR . . . . . 0.4 ' HB2' ' CE1' ' A' ' 818' ' ' PHE . 59.5 t80 -110.56 -41.2 4.39 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 121.633 -0.667 . . . . 0.87 109.795 169.729 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 7.5 p -114.22 -33.22 5.73 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.41 0.522 . . . . 0.29 112.41 -177.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 804' ' ' GLY . . . . . 0.414 ' C ' ' HB2' ' A' ' 799' ' ' LYS . . . 96.65 20.0 25.69 Favored Glycine 0 N--CA 1.444 -0.77 0 C-N-CA 120.383 -0.913 . . . . 0.27 111.528 178.552 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 805' ' ' LYS . . . . . . . . . . . . . 9.8 ttmm -84.77 132.28 34.45 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.535 -0.543 . . . . 2.31 109.535 -176.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 806' ' ' TYR . . . . . 0.441 ' CZ ' ' HD3' ' A' ' 799' ' ' LYS . 38.4 m-85 -85.4 131.19 34.43 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.475 0.655 . . . . 0.93 110.319 -177.699 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -152.01 153.2 31.08 Favored Pre-proline 0 C--N 1.317 -0.821 0 CA-C-N 114.624 -1.171 . . . . 0.31 109.637 -177.277 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 808' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_exo -64.53 129.48 23.88 Favored 'Trans proline' 0 N--CA 1.455 -0.782 0 C-N-CA 122.222 1.948 . . . . 0.57 110.839 178.151 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 809' ' ' ALA . . . . . 0.411 ' HB1' ' CE ' ' A' ' 816' ' ' LYS . . . -41.08 -26.22 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 114.108 1.151 . . . . 0.29 114.108 179.678 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -61.9 -25.34 67.51 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.819 0.674 . . . . 2.86 112.819 179.295 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -83.05 -4.18 58.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.488 0.661 . . . . 1.28 109.98 -177.122 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 812' ' ' PHE . . . . . 0.598 ' HB3' ' HA ' ' A' ' 816' ' ' LYS . 18.9 m-85 -96.03 49.35 1.14 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.582 0.706 . . . . 0.54 109.919 -171.466 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 6.2 mmp_? -80.0 139.47 36.97 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.061 -0.972 . . . . 4.06 108.819 175.251 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 96.5 -53.51 1.51 Allowed Glycine 0 N--CA 1.446 -0.653 0 N-CA-C 111.178 -0.769 . . . . 2.06 111.178 -174.362 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 815' ' ' SER . . . . . 0.426 ' C ' ' H ' ' A' ' 817' ' ' ARG . 77.4 p -158.02 131.9 7.93 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.735 0.302 . . . . 1.93 110.72 177.769 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 816' ' ' LYS . . . . . 0.598 ' HA ' ' HB3' ' A' ' 812' ' ' PHE . 7.4 tptm -77.45 13.68 1.17 Allowed 'General case' 0 CA--C 1.534 0.332 0 CA-C-O 121.238 0.542 . . . . 1.66 110.289 177.419 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 817' ' ' ARG . . . . . 0.426 ' H ' ' C ' ' A' ' 815' ' ' SER . 17.8 mtp180 -95.34 -37.12 11.11 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 123.81 0.844 . . . . 3.2 110.527 -175.347 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 818' ' ' PHE . . . . . 0.4 ' CE1' ' HB2' ' A' ' 802' ' ' TYR . 56.0 m-85 -129.7 165.1 22.54 Favored 'General case' 0 N--CA 1.436 -1.167 0 N-CA-C 109.407 -0.59 . . . . 0.52 109.407 -176.494 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 819' ' ' CYS . . . . . . . . . . . . . 1.2 p -68.24 -157.95 0.02 OUTLIER 'General case' 0 C--N 1.31 -1.128 0 N-CA-C 108.413 -0.958 . . . . 1.36 108.413 168.131 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 16.2 p -68.65 -125.86 0.0 OUTLIER 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 113.283 0.846 . . . . 1.18 113.283 -160.306 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 821' ' ' MET . . . . . 0.66 ' O ' ' HG2' ' A' ' 825' ' ' LYS . 0.3 OUTLIER -82.09 -58.86 2.78 Favored 'General case' 0 C--N 1.32 -0.692 0 O-C-N 120.566 -1.334 . . . . 2.1 111.584 -167.164 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 822' ' ' THR . . . . . . . . . . . . . 32.3 m -45.46 -49.08 13.77 Favored 'General case' 0 C--N 1.322 -0.607 0 O-C-N 123.767 0.667 . . . . 0.77 112.236 -177.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 823' ' ' CYS . . . . . . . . . . . . . 5.4 t -73.19 -45.96 53.33 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.453 -0.499 . . . . 0.62 112.18 -173.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 824' ' ' ALA . . . . . . . . . . . . . . . -57.64 -38.0 74.29 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 120.727 -0.389 . . . . 0.32 110.135 175.311 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 825' ' ' LYS . . . . . 0.66 ' HG2' ' O ' ' A' ' 821' ' ' MET . 13.6 mmmm -64.78 -36.48 84.46 Favored 'General case' 0 C--N 1.341 0.214 0 CA-C-O 121.509 0.671 . . . . 2.6 110.993 175.005 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 17.8 tpt180 -68.65 -24.52 64.55 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 114.805 -1.089 . . . . 3.53 111.519 -174.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 827' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -56.8 -28.7 61.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.217 0.532 . . . . 1.49 110.526 175.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 828' ' ' ASN . . . . . . . . . . . . . 14.9 m120 . . . . . 0 C--O 1.246 0.909 0 CA-C-O 117.635 -1.174 . . . . 3.1 110.342 -179.167 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 829' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.677 0 N-CA-C 111.877 -0.489 . . . . 12.46 111.877 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 22.4 m -81.33 100.46 9.22 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.864 0.364 . . . . 10.84 110.478 179.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 38.3 mtm180 -116.18 155.27 28.57 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.187 -0.46 . . . . 12.75 110.059 -179.452 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -74.35 100.32 1.16 Allowed Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.906 -0.664 . . . . 8.5 111.859 176.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 784' ' ' VAL . . . . . . . . . . . . . 32.9 t -128.71 78.01 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 109.092 -0.707 . . . . 10.4 109.092 177.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 51.72 40.68 28.01 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.853 -0.612 . . . . 11.27 110.7 -174.238 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 786' ' ' SER . . . . . 0.47 ' HB3' HD12 ' A' ' 791' ' ' LEU . 14.2 m -68.08 134.39 91.67 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 115.382 -0.826 . . . . 8.95 110.279 -179.236 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 787' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 786' ' ' SER . 13.4 Cg_exo -72.27 26.18 0.26 Allowed 'Trans proline' 0 CA--C 1.536 0.59 0 C-N-CA 123.523 2.816 . . . . 11.09 113.066 -179.275 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 788' ' ' SER . . . . . 0.42 ' H ' ' C ' ' A' ' 786' ' ' SER . 25.5 t -148.4 119.67 7.82 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.271 -1.011 . . . . 10.45 108.271 177.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -60.52 -32.29 71.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.758 -0.655 . . . . 9.07 111.605 -173.564 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 790' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -57.55 -24.44 56.15 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 112.082 0.401 . . . . 9.34 112.082 -179.096 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 791' ' ' LEU . . . . . 0.47 HD12 ' HB3' ' A' ' 786' ' ' SER . 96.6 mt -83.97 15.41 3.4 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.967 0.413 . . . . 8.68 111.494 -174.137 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 792' ' ' ASP . . . . . 0.418 ' O ' ' HB2' ' A' ' 793' ' ' LYS . 21.4 t70 -91.59 -1.06 57.62 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.557 0.694 . . . . 7.1 109.305 175.653 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 793' ' ' LYS . . . . . 0.418 ' HB2' ' O ' ' A' ' 792' ' ' ASP . 75.3 mmtt 75.26 -69.32 0.18 Allowed 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 114.735 -1.121 . . . . 6.3 110.986 -178.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 794' ' ' LYS . . . . . 0.672 ' HB2' HD21 ' A' ' 797' ' ' LEU . 0.1 OUTLIER -75.67 -45.67 35.72 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.247 -0.649 . . . . 6.55 109.247 173.92 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 795' ' ' ALA . . . . . 0.424 ' H ' ' HG2' ' A' ' 794' ' ' LYS . . . 51.57 -94.77 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.145 0 N-CA-C 113.806 1.039 . . . . 1.56 113.806 166.487 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 796' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -74.32 92.37 2.27 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.998 0.904 . . . . 1.68 111.654 -176.107 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 797' ' ' LEU . . . . . 0.672 HD21 ' HB2' ' A' ' 794' ' ' LYS . 18.0 mt -102.93 141.11 36.28 Favored 'General case' 0 N--CA 1.438 -1.073 0 O-C-N 121.574 -0.704 . . . . 0.55 109.289 -179.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 798' ' ' LEU . . . . . 0.456 HD22 ' C ' ' A' ' 798' ' ' LEU . 0.0 OUTLIER -144.72 143.22 30.59 Favored 'General case' 0 C--N 1.312 -1.05 0 N-CA-C 107.044 -1.465 . . . . 1.31 107.044 174.677 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 799' ' ' LYS . . . . . 0.408 ' HD3' ' CZ ' ' A' ' 806' ' ' TYR . 23.2 pttm -96.07 135.37 37.95 Favored 'General case' 0 N--CA 1.446 -0.642 0 C-N-CA 118.137 -1.425 . . . . 1.78 113.408 -166.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 800' ' ' CYS . . . . . 0.521 ' HB2' ' SG ' ' A' ' 819' ' ' CYS . 46.6 t -43.44 106.21 0.06 Allowed 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 111.965 -2.38 . . . . 0.3 111.308 170.65 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -66.46 13.31 0.05 Allowed 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 112.727 0.64 . . . . 2.42 112.727 -176.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 802' ' ' TYR . . . . . 0.57 ' HD1' ' HD1' ' A' ' 827' ' ' TYR . 68.7 t80 -103.76 -46.89 4.38 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.669 -0.493 . . . . 0.87 109.669 175.554 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 6.7 p -115.92 -24.0 8.33 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 113.07 0.767 . . . . 0.29 113.07 -179.073 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 94.52 15.89 45.06 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.093 -1.051 . . . . 0.27 113.048 173.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 805' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -87.11 135.12 33.41 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 122.602 -0.352 . . . . 2.31 110.295 -179.272 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 806' ' ' TYR . . . . . 0.408 ' CZ ' ' HD3' ' A' ' 799' ' ' LYS . 84.8 m-85 -85.48 134.33 34.05 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.072 0.463 . . . . 0.93 110.655 -178.33 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 807' ' ' ALA . . . . . 0.425 ' HB1' ' HD2' ' A' ' 808' ' ' PRO . . . -154.93 158.01 32.05 Favored Pre-proline 0 C--N 1.321 -0.665 0 CA-C-N 114.992 -1.004 . . . . 0.31 109.819 -178.24 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 808' ' ' PRO . . . . . 0.425 ' HD2' ' HB1' ' A' ' 807' ' ' ALA . 44.0 Cg_endo -68.28 130.29 20.94 Favored 'Trans proline' 0 N--CA 1.461 -0.413 0 C-N-CA 122.391 2.061 . . . . 0.57 111.323 -178.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 809' ' ' ALA . . . . . . . . . . . . . . . -44.46 -28.88 0.62 Allowed 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 115.059 -0.973 . . . . 0.29 113.566 -179.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 -57.25 -33.34 67.48 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 116.043 -0.526 . . . . 2.86 111.329 178.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 20.7 tt0 -77.89 -26.8 49.36 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.946 -0.57 . . . . 1.28 110.215 -177.123 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 812' ' ' PHE . . . . . 0.606 ' HB3' ' HA ' ' A' ' 816' ' ' LYS . 24.0 m-85 -69.0 62.5 0.11 Allowed 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.913 0.708 . . . . 0.54 112.913 178.4 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 6.3 mmp_? -78.4 140.1 38.73 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.399 -0.819 . . . . 4.06 109.443 172.163 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 95.24 -58.23 1.69 Allowed Glycine 0 N--CA 1.446 -0.69 0 N-CA-C 110.881 -0.888 . . . . 2.06 110.881 -175.132 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 815' ' ' SER . . . . . 0.629 ' HB3' ' HE ' ' A' ' 817' ' ' ARG . 65.8 m -154.07 133.8 12.96 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.589 0.233 . . . . 1.93 110.891 176.78 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 816' ' ' LYS . . . . . 0.606 ' HA ' ' HB3' ' A' ' 812' ' ' PHE . 0.0 OUTLIER -76.0 54.44 0.84 Allowed 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.346 -0.612 . . . . 1.66 109.346 172.781 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 817' ' ' ARG . . . . . 0.629 ' HE ' ' HB3' ' A' ' 815' ' ' SER . 70.8 mtm180 -142.94 -32.43 0.48 Allowed 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.276 -0.875 . . . . 3.2 109.564 -172.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 818' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -133.95 135.73 43.72 Favored 'General case' 0 CA--C 1.516 -0.351 0 N-CA-C 109.283 -0.636 . . . . 0.52 109.283 -177.143 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 819' ' ' CYS . . . . . 0.521 ' SG ' ' HB2' ' A' ' 800' ' ' CYS . 1.8 p -74.7 102.57 4.67 Favored 'General case' 0 N--CA 1.438 -1.058 0 C-N-CA 119.738 -0.785 . . . . 1.36 110.656 -174.611 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 52.7 p 84.92 -154.63 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.464 1.105 . . . . 1.18 110.164 161.294 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 821' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -81.15 -56.3 4.18 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 111.916 0.339 . . . . 2.1 111.916 -171.497 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 822' ' ' THR . . . . . . . . . . . . . 28.2 m -44.84 -53.98 6.9 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 112.989 0.737 . . . . 0.77 112.989 178.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 823' ' ' CYS . . . . . . . . . . . . . 92.0 m -68.03 -46.89 69.91 Favored 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 113.071 0.767 . . . . 0.62 113.071 -174.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 824' ' ' ALA . . . . . . . . . . . . . . . -60.4 -42.56 96.21 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.445 0.641 . . . . 0.32 110.231 178.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -62.7 -45.72 91.44 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 114.961 -1.018 . . . . 2.6 111.289 177.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 43.9 ttp180 -77.03 -14.36 59.84 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 116.267 -0.424 . . . . 3.53 111.899 -168.257 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 827' ' ' TYR . . . . . 0.57 ' HD1' ' HD1' ' A' ' 802' ' ' TYR . 36.1 t80 -57.76 -43.67 85.63 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.021 0.438 . . . . 1.49 110.945 -178.316 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 828' ' ' ASN . . . . . . . . . . . . . 64.6 m-80 . . . . . 0 C--O 1.249 1.027 0 CA-C-N 114.896 -1.047 . . . . 3.1 111.39 -178.111 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 829' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.672 0 N-CA-C 111.951 -0.46 . . . . 12.46 111.951 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 22.9 m -83.15 93.45 7.64 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.044 0.449 . . . . 10.84 110.201 179.333 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 15.7 mtp180 -94.16 100.35 12.45 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.234 -0.439 . . . . 12.75 110.768 177.706 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -115.64 -156.31 10.97 Favored Glycine 0 N--CA 1.441 -0.981 0 C-N-CA 120.737 -0.744 . . . . 8.5 112.181 179.604 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 784' ' ' VAL . . . . . . . . . . . . . 36.0 m -114.81 -168.92 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 109.566 -0.531 . . . . 10.4 109.566 177.124 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -40.06 -56.34 1.89 Allowed 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 123.107 0.563 . . . . 11.27 111.878 178.516 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 786' ' ' SER . . . . . . . . . . . . . 25.0 m -85.63 120.62 73.12 Favored Pre-proline 0 N--CA 1.449 -0.501 0 N-CA-C 109.663 -0.495 . . . . 8.95 109.663 174.609 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 787' ' ' PRO . . . . . . . . . . . . . 8.6 Cg_exo -72.99 -7.6 20.93 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.799 2.333 . . . . 11.09 111.992 -179.211 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 788' ' ' SER . . . . . . . . . . . . . 11.6 m -84.78 1.47 46.56 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.841 -0.618 . . . . 10.45 110.921 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -68.73 -37.33 79.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.399 -0.364 . . . . 9.07 110.852 -179.538 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 790' ' ' GLU . . . . . 0.973 ' HA ' ' HB3' ' A' ' 793' ' ' LYS . 1.8 mp0 -62.89 -25.12 68.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.473 . . . . 9.34 111.693 -179.472 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 791' ' ' LEU . . . . . . . . . . . . . 91.5 mt -71.12 -0.06 8.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.432 0.634 . . . . 8.68 110.623 179.674 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -147.61 10.96 0.97 Allowed 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 114.933 -1.031 . . . . 7.1 109.229 177.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 793' ' ' LYS . . . . . 0.973 ' HB3' ' HA ' ' A' ' 790' ' ' GLU . 1.7 ptmt -71.52 -41.35 69.32 Favored 'General case' 0 N--CA 1.445 -0.691 0 N-CA-C 107.516 -1.29 . . . . 6.3 107.516 -178.066 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 794' ' ' LYS . . . . . 0.502 ' HG2' ' HG3' ' A' ' 793' ' ' LYS . 46.4 pttt -170.19 154.76 5.07 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 113.583 -1.644 . . . . 6.55 109.494 167.406 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -168.18 31.99 0.03 OUTLIER 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 108.977 -0.749 . . . . 1.56 108.977 -179.338 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 796' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -80.37 76.41 7.18 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.058 -0.974 . . . . 1.68 110.24 -177.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 797' ' ' LEU . . . . . . . . . . . . . 36.9 mt -95.46 144.91 25.57 Favored 'General case' 0 N--CA 1.437 -1.098 0 CA-C-O 121.175 0.512 . . . . 0.55 109.899 -176.615 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 798' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -146.52 177.86 8.73 Favored 'General case' 0 C--N 1.308 -1.226 0 N-CA-C 105.108 -2.182 . . . . 1.31 105.108 175.035 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 799' ' ' LYS . . . . . 0.507 ' HD2' ' O ' ' A' ' 804' ' ' GLY . 63.2 pttt -144.41 139.97 28.72 Favored 'General case' 0 N--CA 1.439 -1.012 0 C-N-CA 116.499 -2.081 . . . . 1.78 114.213 -174.231 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 800' ' ' CYS . . . . . 0.591 ' HB2' ' SG ' ' A' ' 819' ' ' CYS . 6.4 t -36.57 111.99 0.17 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 111.176 -2.738 . . . . 0.3 113.4 174.52 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -56.36 -6.45 0.28 Allowed 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 115.204 -0.907 . . . . 2.42 112.803 172.694 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 802' ' ' TYR . . . . . . . . . . . . . 60.0 t80 -102.43 -48.59 4.12 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 121.383 -0.823 . . . . 0.87 111.266 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 4.6 p -113.43 -26.98 8.08 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 112.988 0.736 . . . . 0.29 112.988 -176.133 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 804' ' ' GLY . . . . . 0.507 ' O ' ' HD2' ' A' ' 799' ' ' LYS . . . 92.46 18.71 40.82 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 119.65 -1.262 . . . . 0.27 112.612 172.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 805' ' ' LYS . . . . . . . . . . . . . 20.6 ttmt -81.15 134.89 35.71 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 120.662 0.267 . . . . 2.31 110.32 178.539 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 806' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -86.0 137.69 32.52 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.434 -0.803 . . . . 0.93 109.987 -179.578 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 807' ' ' ALA . . . . . 0.431 ' HB1' ' HD2' ' A' ' 808' ' ' PRO . . . -158.42 158.1 29.37 Favored Pre-proline 0 N--CA 1.441 -0.91 0 CA-C-N 115.067 -0.969 . . . . 0.31 110.49 -177.322 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 808' ' ' PRO . . . . . 0.641 ' HB2' ' CD ' ' A' ' 810' ' ' GLU . 35.7 Cg_endo -65.0 128.07 19.9 Favored 'Trans proline' 0 N--CA 1.462 -0.374 0 C-N-CA 122.737 2.291 . . . . 0.57 110.477 176.585 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 809' ' ' ALA . . . . . . . . . . . . . . . -43.7 -31.78 0.86 Allowed 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 114.327 1.232 . . . . 0.29 114.327 -177.176 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 810' ' ' GLU . . . . . 0.641 ' CD ' ' HB2' ' A' ' 808' ' ' PRO . 7.5 pm0 -62.26 -24.61 67.37 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 120.966 0.412 . . . . 2.86 111.622 -179.783 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -79.06 -30.01 43.79 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-O 121.085 0.469 . . . . 1.28 110.085 -179.052 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 812' ' ' PHE . . . . . 0.761 ' HB3' ' HA ' ' A' ' 816' ' ' LYS . 61.3 m-85 -70.06 67.65 0.29 Allowed 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.63 -0.714 . . . . 0.54 112.503 179.109 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 30.1 mtm180 -75.36 -0.35 19.54 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.347 -0.842 . . . . 4.06 110.169 175.449 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . -94.73 46.82 2.09 Favored Glycine 0 N--CA 1.446 -0.64 0 N-CA-C 111.342 -0.703 . . . . 2.06 111.342 172.578 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 8.5 m 58.89 32.27 22.08 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 123.038 0.535 . . . . 1.93 112.267 177.303 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 816' ' ' LYS . . . . . 0.761 ' HA ' ' HB3' ' A' ' 812' ' ' PHE . 95.6 mttt 54.46 49.14 18.99 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 121.613 0.72 . . . . 1.66 111.725 170.157 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 817' ' ' ARG . . . . . . . . . . . . . 34.2 mmt180 -140.02 -34.67 0.54 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.827 -1.079 . . . . 3.2 108.346 178.069 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 818' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -133.05 136.33 45.89 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.399 -0.819 . . . . 0.52 108.911 175.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 819' ' ' CYS . . . . . 0.591 ' SG ' ' HB2' ' A' ' 800' ' ' CYS . 1.6 p -75.14 104.28 5.65 Favored 'General case' 0 N--CA 1.441 -0.88 0 C-N-CA 120.606 -0.438 . . . . 1.36 111.453 -173.292 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 22.9 t 87.41 -154.9 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 122.906 0.482 . . . . 1.18 110.129 162.093 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 821' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -84.54 -62.54 1.53 Allowed 'General case' 0 N--CA 1.466 0.368 0 O-C-N 122.203 -0.311 . . . . 2.1 111.749 -174.433 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 822' ' ' THR . . . . . 0.568 ' O ' ' HB2' ' A' ' 826' ' ' ARG . 1.4 m -44.89 -44.14 9.41 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 123.988 0.915 . . . . 0.77 112.913 178.823 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 823' ' ' CYS . . . . . 0.512 ' HB2' ' O ' ' A' ' 819' ' ' CYS . 97.3 m -74.67 -42.96 57.51 Favored 'General case' 0 C--N 1.313 -1.016 0 N-CA-C 112.806 0.669 . . . . 0.62 112.806 -178.821 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 824' ' ' ALA . . . . . . . . . . . . . . . -61.03 -44.54 97.25 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 121.119 -0.232 . . . . 0.32 111.144 178.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 825' ' ' LYS . . . . . 0.503 ' HG3' ' O ' ' A' ' 822' ' ' THR . 0.0 OUTLIER -66.2 -31.4 72.21 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 121.813 0.816 . . . . 2.6 110.063 179.611 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 826' ' ' ARG . . . . . 0.568 ' HB2' ' O ' ' A' ' 822' ' ' THR . 62.8 ttt180 -68.75 -22.68 64.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 114.388 -1.278 . . . . 3.53 111.377 -174.384 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 827' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -57.09 -32.2 66.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.502 -0.772 . . . . 1.49 112.203 179.646 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 828' ' ' ASN . . . . . . . . . . . . . 32.0 m-80 . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.331 -0.842 . . . . 3.1 111.305 -172.55 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 829' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.586 0 N-CA-C 111.906 -0.477 . . . . 12.46 111.906 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 53.3 m -87.55 124.77 33.84 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.095 0.474 . . . . 10.84 111.014 -177.134 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 93.3 mtt180 -121.16 89.64 3.17 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.997 -0.547 . . . . 12.75 110.923 179.694 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 783' ' ' GLY . . . . . 0.706 ' HA2' ' HB1' ' A' ' 789' ' ' ALA . . . -79.13 78.74 1.68 Allowed Glycine 0 N--CA 1.445 -0.758 0 N-CA-C 111.147 -0.781 . . . . 8.5 111.147 176.596 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 784' ' ' VAL . . . . . . . . . . . . . 15.6 m -87.95 46.84 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 121.093 0.473 . . . . 10.4 111.414 -175.295 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 53.86 52.36 13.13 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 115.484 -0.78 . . . . 11.27 110.966 178.267 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 786' ' ' SER . . . . . 0.501 ' O ' ' HG3' ' A' ' 790' ' ' GLU . 15.1 m -117.36 140.26 27.09 Favored Pre-proline 0 C--N 1.319 -0.756 0 CA-C-N 115.322 -0.854 . . . . 8.95 109.508 178.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 787' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -38.0 -43.21 1.58 Allowed 'Trans proline' 0 C--N 1.349 0.585 0 C-N-CA 123.804 3.003 . . . . 11.09 113.224 -176.69 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 788' ' ' SER . . . . . 0.412 ' O ' ' HG ' ' A' ' 791' ' ' LEU . 52.7 m -77.89 -46.54 21.06 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.02 0.438 . . . . 10.45 111.389 179.136 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 789' ' ' ALA . . . . . 0.706 ' HB1' ' HA2' ' A' ' 783' ' ' GLY . . . -85.0 6.29 25.82 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.665 0.617 . . . . 9.07 112.665 -170.69 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 790' ' ' GLU . . . . . 0.501 ' HG3' ' O ' ' A' ' 786' ' ' SER . 41.1 mt-10 -78.09 -22.34 49.1 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.684 -0.407 . . . . 9.34 110.865 177.518 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 791' ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' A' ' 788' ' ' SER . 4.6 pp -75.34 -11.98 60.17 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.787 0.803 . . . . 8.68 109.349 175.367 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -99.03 -8.65 25.01 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.446 -1.252 . . . . 7.1 109.213 175.031 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 793' ' ' LYS . . . . . 0.457 ' HB3' ' O ' ' A' ' 790' ' ' GLU . 55.6 tttp -73.22 -35.35 66.28 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 114.798 -1.092 . . . . 6.3 110.009 -178.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 794' ' ' LYS . . . . . 0.506 ' HB3' ' ND2' ' A' ' 796' ' ' ASN . 34.9 mmtp -75.63 -71.32 0.38 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.495 -0.775 . . . . 6.55 110.2 179.207 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . 45.5 35.21 1.9 Allowed 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 112.487 0.551 . . . . 1.56 112.487 -178.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 796' ' ' ASN . . . . . 0.506 ' ND2' ' HB3' ' A' ' 794' ' ' LYS . 6.4 p30 -83.34 51.96 2.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.213 0.53 . . . . 1.68 109.699 174.226 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 797' ' ' LEU . . . . . . . . . . . . . 16.0 mt -90.03 149.13 22.66 Favored 'General case' 0 N--CA 1.444 -0.767 0 CA-C-O 121.448 0.642 . . . . 0.55 111.024 -168.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 798' ' ' LEU . . . . . 0.426 HD22 ' C ' ' A' ' 798' ' ' LEU . 0.0 OUTLIER -148.53 165.52 30.97 Favored 'General case' 0 C--N 1.31 -1.14 0 N-CA-C 105.398 -2.075 . . . . 1.31 105.398 171.293 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 799' ' ' LYS . . . . . 0.666 ' HD3' ' CZ ' ' A' ' 806' ' ' TYR . 63.2 pttt -123.23 139.04 54.46 Favored 'General case' 0 C--N 1.32 -0.674 0 C-N-CA 117.188 -1.805 . . . . 1.78 113.619 -167.686 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 800' ' ' CYS . . . . . 0.411 ' C ' ' H ' ' A' ' 802' ' ' TYR . 17.4 t -47.14 103.82 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 112.01 -2.359 . . . . 0.3 111.203 172.716 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -67.4 19.92 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 113.404 0.89 . . . . 2.42 113.404 -176.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 802' ' ' TYR . . . . . 0.411 ' H ' ' C ' ' A' ' 800' ' ' CYS . 42.4 t80 -106.95 -41.0 5.31 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.738 -0.467 . . . . 0.87 109.738 172.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 5.4 p -116.37 -33.96 4.77 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 115.907 -0.588 . . . . 0.29 112.361 179.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 99.96 22.09 12.71 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.407 -0.901 . . . . 0.27 113.176 176.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 805' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp -82.98 129.44 35.03 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 117.349 0.574 . . . . 2.31 110.863 -179.18 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 806' ' ' TYR . . . . . 0.666 ' CZ ' ' HD3' ' A' ' 799' ' ' LYS . 98.4 m-85 -87.04 126.63 34.87 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.451 -0.574 . . . . 0.93 109.451 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 807' ' ' ALA . . . . . 0.505 ' HB1' ' HD2' ' A' ' 808' ' ' PRO . . . -153.32 161.27 29.55 Favored Pre-proline 0 C--N 1.318 -0.792 0 CA-C-N 115.39 -0.823 . . . . 0.31 109.613 -174.708 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 808' ' ' PRO . . . . . 0.682 ' HB2' ' HG2' ' A' ' 810' ' ' GLU . 35.8 Cg_endo -67.91 129.23 19.23 Favored 'Trans proline' 0 N--CA 1.458 -0.559 0 C-N-CA 121.976 1.784 . . . . 0.57 111.131 -178.072 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 809' ' ' ALA . . . . . . . . . . . . . . . -44.07 -26.5 0.3 Allowed 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 113.783 1.031 . . . . 0.29 113.783 -178.541 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 810' ' ' GLU . . . . . 0.682 ' HG2' ' HB2' ' A' ' 808' ' ' PRO . 11.0 pt-20 -60.38 -26.74 66.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.953 0.406 . . . . 2.86 111.654 179.739 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -82.14 -28.73 32.0 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.157 -0.474 . . . . 1.28 109.883 -176.088 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 812' ' ' PHE . . . . . 0.705 ' HB3' ' HA ' ' A' ' 816' ' ' LYS . 12.2 m-85 -68.89 63.43 0.12 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.249 -0.887 . . . . 0.54 111.87 176.715 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 75.4 mtt180 -78.0 137.94 38.56 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 114.387 -1.278 . . . . 4.06 110.696 177.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 96.92 -66.7 0.92 Allowed Glycine 0 N--CA 1.442 -0.944 0 N-CA-C 110.436 -1.066 . . . . 2.06 110.436 -170.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 70.5 m -150.18 135.28 17.86 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 110.681 -0.118 . . . . 1.93 110.681 177.367 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 816' ' ' LYS . . . . . 0.705 ' HA ' ' HB3' ' A' ' 812' ' ' PHE . 1.0 OUTLIER -75.62 67.66 2.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.564 0.697 . . . . 1.66 109.911 174.799 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 817' ' ' ARG . . . . . . . . . . . . . 82.9 mtp180 -145.07 -34.8 0.34 Allowed 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.061 -0.972 . . . . 3.2 108.91 -175.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 818' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -135.65 155.41 50.47 Favored 'General case' 0 N--CA 1.442 -0.845 0 N-CA-C 108.431 -0.952 . . . . 0.52 108.431 178.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 819' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -68.57 -159.48 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.033 -0.729 . . . . 1.36 109.033 172.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 33.2 p -64.66 -116.94 0.0 OUTLIER 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 114.258 1.207 . . . . 1.18 114.258 -157.145 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 821' ' ' MET . . . . . . . . . . . . . 1.6 mmt -85.76 -62.0 1.63 Allowed 'General case' 0 C--N 1.321 -0.632 0 O-C-N 120.931 -1.106 . . . . 2.1 111.635 -165.552 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 822' ' ' THR . . . . . 0.489 ' O ' ' HB2' ' A' ' 826' ' ' ARG . 3.7 m -45.77 -50.48 13.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 123.764 0.665 . . . . 0.77 112.568 -179.232 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 823' ' ' CYS . . . . . . . . . . . . . 57.3 m -71.11 -49.81 40.31 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 113.767 1.025 . . . . 0.62 113.767 -176.072 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 824' ' ' ALA . . . . . . . . . . . . . . . -60.26 -44.51 95.22 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 120.4 -0.52 . . . . 0.32 110.768 178.4 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 825' ' ' LYS . . . . . 0.436 ' HE3' ' HB2' ' A' ' 825' ' ' LYS . 0.0 OUTLIER -67.52 -26.14 66.19 Favored 'General case' 0 C--O 1.227 -0.095 0 C-N-CA 120.851 -0.339 . . . . 2.6 110.873 178.739 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 826' ' ' ARG . . . . . 0.489 ' HB2' ' O ' ' A' ' 822' ' ' THR . 24.8 tpp180 -66.64 -31.71 72.57 Favored 'General case' 0 CA--C 1.521 -0.166 0 CA-C-O 121.235 0.54 . . . . 3.53 110.514 -176.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 827' ' ' TYR . . . . . . . . . . . . . 29.8 t80 -84.25 -21.78 31.02 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.578 -0.737 . . . . 1.49 109.855 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 828' ' ' ASN . . . . . . . . . . . . . 35.4 m-80 . . . . . 0 C--O 1.251 1.18 0 CA-C-O 118.685 -0.674 . . . . 3.1 111.098 177.62 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 829' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.762 0 N-CA-C 111.965 -0.454 . . . . 12.46 111.965 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.5 t -113.32 75.01 0.89 Allowed 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.807 0.813 . . . . 10.84 110.036 177.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 20.1 ttp180 56.0 50.6 13.48 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.016 -0.993 . . . . 12.75 109.128 -173.018 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . 122.34 157.07 9.84 Favored Glycine 0 N--CA 1.443 -0.848 0 CA-C-N 114.493 -1.23 . . . . 8.5 111.202 -175.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 784' ' ' VAL . . . . . . . . . . . . . 4.1 p -129.9 -44.12 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 121.074 0.464 . . . . 10.4 110.706 179.613 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -100.85 143.94 30.39 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.854 -0.795 . . . . 11.27 108.854 174.501 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 786' ' ' SER . . . . . . . . . . . . . 50.9 m -151.04 119.43 3.46 Favored Pre-proline 0 C--N 1.324 -0.505 0 C-N-CA 120.594 -0.442 . . . . 8.95 112.08 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 787' ' ' PRO . . . . . 0.521 ' HG2' ' OD2' ' A' ' 792' ' ' ASP . 2.6 Cg_exo -81.98 -17.74 7.99 Favored 'Trans proline' 0 N--CA 1.462 -0.35 0 C-N-CA 123.33 2.687 . . . . 11.09 110.776 166.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 788' ' ' SER . . . . . 0.599 ' HB3' ' CB ' ' A' ' 792' ' ' ASP . 29.9 t -140.12 145.22 37.31 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-N 115.292 -0.867 . . . . 10.45 109.425 176.273 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -53.31 -58.03 8.51 Favored 'General case' 0 C--N 1.328 -0.364 0 O-C-N 123.474 0.484 . . . . 9.07 111.981 -173.039 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 790' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -116.57 -40.87 3.15 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.786 0.327 . . . . 9.34 111.795 -175.205 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 791' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -71.65 -46.62 58.43 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 113.154 0.798 . . . . 8.68 113.154 -166.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 792' ' ' ASP . . . . . 0.599 ' CB ' ' HB3' ' A' ' 788' ' ' SER . 10.1 t70 -91.62 73.11 5.91 Favored 'General case' 0 C--N 1.304 -1.395 0 CA-C-O 122.335 1.064 . . . . 7.1 110.718 -170.223 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 793' ' ' LYS . . . . . . . . . . . . . 26.5 mtmm -164.47 -43.9 0.03 OUTLIER 'General case' 0 C--N 1.313 -1.006 0 CA-C-N 112.879 -1.964 . . . . 6.3 106.069 174.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -81.49 -78.65 0.18 Allowed 'General case' 0 N--CA 1.437 -1.124 0 CA-C-N 113.713 -1.585 . . . . 6.55 109.722 170.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . 27.13 67.57 0.07 Allowed 'General case' 0 N--CA 1.471 0.621 0 O-C-N 124.179 0.925 . . . . 1.56 112.664 -176.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 796' ' ' ASN . . . . . 0.531 ' N ' HD22 ' A' ' 796' ' ' ASN . 0.0 OUTLIER -157.11 105.29 2.13 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 108.135 -1.061 . . . . 1.68 108.135 -176.376 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 797' ' ' LEU . . . . . . . . . . . . . 11.1 mt -104.76 144.57 31.56 Favored 'General case' 0 N--CA 1.435 -1.213 0 CA-C-O 121.699 0.761 . . . . 0.55 111.076 -169.284 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 798' ' ' LEU . . . . . 0.463 HD23 ' H ' ' A' ' 798' ' ' LEU . 1.7 pt? -145.29 -177.02 5.34 Favored 'General case' 0 C--N 1.304 -1.371 0 N-CA-C 104.786 -2.301 . . . . 1.31 104.786 174.052 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 799' ' ' LYS . . . . . 0.979 ' HD3' ' HA2' ' A' ' 804' ' ' GLY . 0.0 OUTLIER -145.86 141.55 27.97 Favored 'General case' 0 N--CA 1.437 -1.097 0 C-N-CA 116.175 -2.21 . . . . 1.78 115.435 -175.556 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 800' ' ' CYS . . . . . 0.444 ' HB2' ' SG ' ' A' ' 819' ' ' CYS . 28.0 t -45.39 104.69 0.05 OUTLIER 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 110.608 -2.996 . . . . 0.3 111.67 175.002 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 42.6 mm-40 -64.29 12.38 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 114.035 1.124 . . . . 2.42 114.035 -178.329 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 802' ' ' TYR . . . . . 0.433 ' HB2' ' CE1' ' A' ' 818' ' ' PHE . 35.5 t80 -104.58 -41.89 5.58 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 109.822 -0.436 . . . . 0.87 109.822 175.436 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 5.3 p -118.52 -24.84 6.65 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 113.258 0.836 . . . . 0.29 113.258 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 804' ' ' GLY . . . . . 0.979 ' HA2' ' HD3' ' A' ' 799' ' ' LYS . . . 93.44 17.85 40.87 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 119.862 -1.161 . . . . 0.27 112.917 175.315 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 805' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -82.38 126.75 32.54 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.747 0.308 . . . . 2.31 110.669 -178.362 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 806' ' ' TYR . . . . . 0.423 ' HA ' ' HB3' ' A' ' 799' ' ' LYS . 64.5 m-85 -89.21 132.13 35.01 Favored 'General case' 0 CA--C 1.513 -0.469 0 CA-C-N 115.616 -0.72 . . . . 0.93 110.151 -174.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 807' ' ' ALA . . . . . 0.666 ' HB1' ' HD2' ' A' ' 808' ' ' PRO . . . -160.63 168.3 12.06 Favored Pre-proline 0 C--N 1.317 -0.843 0 CA-C-N 114.917 -1.038 . . . . 0.31 110.118 -174.179 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 808' ' ' PRO . . . . . 0.666 ' HD2' ' HB1' ' A' ' 807' ' ' ALA . 32.4 Cg_endo -70.05 132.04 22.06 Favored 'Trans proline' 0 N--CA 1.455 -0.778 0 C-N-CA 121.654 1.57 . . . . 0.57 111.211 -179.114 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 809' ' ' ALA . . . . . 0.417 ' O ' ' HB2' ' A' ' 812' ' ' PHE . . . -41.84 -27.84 0.13 Allowed 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 114.785 -1.098 . . . . 0.29 113.886 178.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 26.6 tp10 -60.67 -37.56 81.98 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 112.849 0.685 . . . . 2.86 112.849 -178.258 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 811' ' ' GLN . . . . . 0.48 ' C ' ' H ' ' A' ' 813' ' ' ARG . 6.4 pt20 -76.81 -21.39 55.16 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 109.486 -0.561 . . . . 1.28 109.486 -175.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 812' ' ' PHE . . . . . 0.6 ' HB3' ' HA ' ' A' ' 816' ' ' LYS . 7.7 m-85 -70.72 32.57 0.04 OUTLIER 'General case' 0 C--O 1.222 -0.35 0 CA-C-N 115.54 -0.755 . . . . 0.54 112.246 173.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 813' ' ' ARG . . . . . 0.48 ' H ' ' C ' ' A' ' 811' ' ' GLN . 7.5 ptm180 -78.21 158.18 29.08 Favored 'General case' 0 C--N 1.309 -1.155 0 N-CA-C 109.013 -0.736 . . . . 4.06 109.013 178.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 88.45 -30.62 5.19 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.555 -0.831 . . . . 2.06 112.722 -173.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 9.7 t -145.03 -44.65 0.23 Allowed 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 113.062 0.764 . . . . 1.93 113.062 -175.205 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 816' ' ' LYS . . . . . 0.6 ' HA ' ' HB3' ' A' ' 812' ' ' PHE . 24.1 ttmm 53.06 55.33 9.05 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 123.143 1.449 . . . . 1.66 108.937 -169.756 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 817' ' ' ARG . . . . . . . . . . . . . 71.8 mtp180 -155.13 -37.19 0.09 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 112.139 -2.3 . . . . 3.2 108.128 -177.295 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 818' ' ' PHE . . . . . 0.433 ' CE1' ' HB2' ' A' ' 802' ' ' TYR . 79.7 m-85 -133.12 170.19 15.77 Favored 'General case' 0 N--CA 1.441 -0.909 0 CA-C-N 115.004 -0.998 . . . . 0.52 108.803 176.529 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 819' ' ' CYS . . . . . 0.444 ' SG ' ' HB2' ' A' ' 800' ' ' CYS . 0.9 OUTLIER -68.87 -158.2 0.02 OUTLIER 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 108.124 -1.065 . . . . 1.36 108.124 166.069 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 73.9 p -69.79 -134.71 0.0 OUTLIER 'General case' 0 CA--C 1.55 0.953 0 N-CA-C 113.363 0.875 . . . . 1.18 113.363 -161.361 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 821' ' ' MET . . . . . . . . . . . . . 32.4 mmt -75.96 -58.26 3.39 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 121.218 -0.926 . . . . 2.1 112.432 -161.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 822' ' ' THR . . . . . . . . . . . . . 25.8 m -45.61 -49.77 13.88 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.639 0.607 . . . . 0.77 112.639 -179.659 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 823' ' ' CYS . . . . . . . . . . . . . 87.5 m -71.24 -52.26 20.02 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 113.167 0.803 . . . . 0.62 113.167 -177.254 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 824' ' ' ALA . . . . . . . . . . . . . . . -57.66 -49.07 77.69 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-O 120.525 0.202 . . . . 0.32 111.261 -179.744 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -64.07 -31.46 72.66 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-O 121.014 0.435 . . . . 2.6 111.021 -177.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 47.6 ttt180 -71.8 -24.83 61.79 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.244 -0.434 . . . . 3.53 111.069 -173.696 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 827' ' ' TYR . . . . . . . . . . . . . 82.2 t80 -84.4 -0.87 54.37 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-O 121.198 0.523 . . . . 1.49 111.379 -179.074 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 828' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.246 0.899 0 CA-C-O 117.925 -1.036 . . . . 3.1 111.178 179.263 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 829' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.542 0 N-CA-C 111.167 -0.773 . . . . 12.46 111.167 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 23.2 m -75.51 88.95 2.68 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.272 0.558 . . . . 10.84 109.976 177.245 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 42.4 ttm180 -88.26 83.69 6.91 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.687 -0.688 . . . . 12.75 110.806 -175.182 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -154.79 117.63 0.8 Allowed Glycine 0 N--CA 1.444 -0.774 0 CA-C-N 115.371 -0.831 . . . . 8.5 111.766 179.345 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 784' ' ' VAL . . . . . . . . . . . . . 59.9 t -100.41 -72.38 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 109.283 -0.636 . . . . 10.4 109.283 176.631 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 785' ' ' ASP . . . . . 0.471 ' HA ' ' HD2' ' A' ' 794' ' ' LYS . 48.2 m-20 -139.62 37.98 2.03 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 107.188 -1.412 . . . . 11.27 107.188 170.504 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 786' ' ' SER . . . . . 0.536 ' O ' ' HB2' ' A' ' 790' ' ' GLU . 5.6 m -69.63 121.53 82.75 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-N 113.578 -1.646 . . . . 8.95 112.315 -172.734 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 787' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -68.31 0.81 4.14 Favored 'Trans proline' 0 CA--C 1.529 0.27 0 C-N-CA 122.474 2.116 . . . . 11.09 110.607 170.375 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 788' ' ' SER . . . . . . . . . . . . . 15.9 m -84.09 -53.08 5.78 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 114.969 -1.014 . . . . 10.45 111.105 177.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -124.99 -25.55 3.86 Favored 'General case' 0 C--O 1.232 0.171 0 N-CA-C 112.156 0.428 . . . . 9.07 112.156 -174.269 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 790' ' ' GLU . . . . . 0.536 ' HB2' ' O ' ' A' ' 786' ' ' SER . 17.5 mm-40 -77.0 -3.55 39.59 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.014 0.375 . . . . 9.34 112.014 -176.569 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 791' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -71.78 -0.87 12.15 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.908 0.861 . . . . 8.68 110.854 179.284 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -113.43 32.64 5.64 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 114.493 -1.231 . . . . 7.1 108.409 176.618 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 793' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt -159.26 -38.15 0.06 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 114.095 -1.411 . . . . 6.3 109.059 -172.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 794' ' ' LYS . . . . . 0.585 ' HB2' HD21 ' A' ' 797' ' ' LEU . 16.4 ptpt -153.29 151.23 29.78 Favored 'General case' 0 N--CA 1.444 -0.764 0 CA-C-N 115.414 -0.812 . . . . 6.55 109.309 179.606 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -169.71 -39.29 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.358 0.599 . . . . 1.56 109.967 -178.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 796' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -76.09 68.76 2.58 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.04 -0.982 . . . . 1.68 109.81 172.036 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 797' ' ' LEU . . . . . 0.585 HD21 ' HB2' ' A' ' 794' ' ' LYS . 20.3 mt -97.21 146.9 24.65 Favored 'General case' 0 N--CA 1.443 -0.825 0 CA-C-N 115.49 -0.777 . . . . 0.55 110.869 -175.545 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 798' ' ' LEU . . . . . 0.448 HD22 ' C ' ' A' ' 798' ' ' LEU . 0.0 OUTLIER -146.28 179.7 7.33 Favored 'General case' 0 C--N 1.31 -1.142 0 N-CA-C 105.444 -2.058 . . . . 1.31 105.444 171.856 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 799' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.03 142.82 32.91 Favored 'General case' 0 C--N 1.316 -0.885 0 C-N-CA 117.406 -1.718 . . . . 1.78 113.291 -175.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 800' ' ' CYS . . . . . 0.511 ' HB2' ' SG ' ' A' ' 819' ' ' CYS . 42.6 t -46.85 114.46 0.84 Allowed 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 111.702 -2.499 . . . . 0.3 112.237 177.53 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -61.82 3.76 0.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 113.196 0.813 . . . . 2.42 113.196 178.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 802' ' ' TYR . . . . . . . . . . . . . 24.4 t80 -103.92 -49.09 3.72 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 121.981 -0.449 . . . . 0.87 110.331 178.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 5.5 p -113.74 -29.12 7.21 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.757 0.651 . . . . 0.29 112.757 -178.097 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 94.74 22.25 24.11 Favored Glycine 0 C--N 1.321 -0.283 0 C-N-CA 120.178 -1.01 . . . . 0.27 112.79 175.197 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 805' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -77.6 125.35 29.2 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 110.172 -0.307 . . . . 2.31 110.172 178.299 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 806' ' ' TYR . . . . . . . . . . . . . 70.7 m-85 -87.47 130.79 34.56 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.183 -0.673 . . . . 0.93 109.183 -177.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 807' ' ' ALA . . . . . 0.497 ' HB3' ' CE1' ' A' ' 812' ' ' PHE . . . -158.36 161.2 29.02 Favored Pre-proline 0 C--N 1.317 -0.833 0 CA-C-N 115.624 -0.717 . . . . 0.31 110.185 -173.557 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 808' ' ' PRO . . . . . 0.468 ' HD2' ' HB1' ' A' ' 807' ' ' ALA . 19.2 Cg_endo -61.24 133.94 49.44 Favored 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 122.341 2.028 . . . . 0.57 110.964 176.577 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 809' ' ' ALA . . . . . 0.408 ' HA ' HD11 ' A' ' 798' ' ' LEU . . . -44.03 -38.03 3.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.143 -0.935 . . . . 0.29 111.791 177.661 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -63.19 -27.85 69.65 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 114.722 -1.126 . . . . 2.86 111.492 -178.223 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 811' ' ' GLN . . . . . 0.419 ' HB2' ' HG2' ' A' ' 808' ' ' PRO . 0.0 OUTLIER -79.25 -28.63 42.41 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.775 -0.648 . . . . 1.28 109.789 -177.003 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 812' ' ' PHE . . . . . 0.571 ' HB3' ' HA ' ' A' ' 816' ' ' LYS . 75.4 m-85 -71.81 71.45 0.76 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.839 -0.619 . . . . 0.54 111.596 176.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 29.8 mtp180 -70.91 -5.05 27.8 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.649 -0.705 . . . . 4.06 109.816 174.355 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . -88.99 48.73 3.5 Favored Glycine 0 N--CA 1.447 -0.626 0 N-CA-C 111.374 -0.69 . . . . 2.06 111.374 172.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 815' ' ' SER . . . . . 0.421 ' CB ' HH21 ' A' ' 817' ' ' ARG . 9.0 t 56.24 42.13 28.39 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-O 121.352 0.596 . . . . 1.93 111.529 177.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 816' ' ' LYS . . . . . 0.571 ' HA ' ' HB3' ' A' ' 812' ' ' PHE . 31.7 mmtp 55.58 35.51 25.33 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 114.806 -1.088 . . . . 1.66 111.874 164.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 817' ' ' ARG . . . . . 0.423 ' O ' ' HA ' ' A' ' 800' ' ' CYS . 63.9 mtm180 -144.01 -28.77 0.51 Allowed 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.791 -0.64 . . . . 3.2 110.01 -175.278 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 818' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -136.72 136.06 38.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.229 0.538 . . . . 0.52 110.009 177.044 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 819' ' ' CYS . . . . . 0.547 ' O ' ' HB2' ' A' ' 823' ' ' CYS . 1.2 p -76.43 106.79 8.27 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.226 -0.897 . . . . 1.36 111.465 -172.558 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 820' ' ' SER . . . . . 0.443 ' HB3' ' O ' ' A' ' 819' ' ' CYS . 30.8 t 89.83 -163.89 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 109.647 -0.501 . . . . 1.18 109.647 164.08 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 821' ' ' MET . . . . . 0.667 ' O ' ' HG2' ' A' ' 825' ' ' LYS . 31.5 mmt -83.07 -59.05 2.6 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.649 0.261 . . . . 2.1 110.456 -176.438 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 822' ' ' THR . . . . . . . . . . . . . 14.1 m -43.78 -47.17 7.97 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 123.812 0.845 . . . . 0.77 112.938 178.17 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 823' ' ' CYS . . . . . 0.547 ' HB2' ' O ' ' A' ' 819' ' ' CYS . 91.0 m -71.11 -47.78 56.09 Favored 'General case' 0 C--N 1.314 -0.955 0 N-CA-C 111.984 0.364 . . . . 0.62 111.984 -176.494 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 824' ' ' ALA . . . . . . . . . . . . . . . -61.42 -41.74 97.65 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-O 120.891 0.377 . . . . 0.32 110.346 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 825' ' ' LYS . . . . . 0.667 ' HG2' ' O ' ' A' ' 821' ' ' MET . 14.1 mmmm -66.94 -30.26 70.34 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-N 116.127 -0.488 . . . . 2.6 111.851 179.561 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 66.9 ttt180 -72.43 -24.62 61.25 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.456 0.646 . . . . 3.53 110.019 -176.531 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 827' ' ' TYR . . . . . 0.631 ' C ' HD22 ' A' ' 828' ' ' ASN . 69.6 t80 -86.42 -51.39 6.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.288 -0.869 . . . . 1.49 109.34 174.803 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 828' ' ' ASN . . . . . 0.631 HD22 ' C ' ' A' ' 827' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--O 1.248 1.008 0 C-N-CA 125.176 1.391 . . . . 3.1 113.597 179.103 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 829' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.479 0 N-CA-C 112.112 -0.395 . . . . 12.46 112.112 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.3 m 74.76 -52.6 0.68 Allowed 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.034 0.534 . . . . 10.84 111.565 176.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 17.7 ptm180 -136.44 36.18 2.71 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.09 0.471 . . . . 12.75 110.804 -179.193 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -78.52 72.89 2.31 Favored Glycine 0 N--CA 1.449 -0.49 0 CA-C-N 115.768 -0.651 . . . . 8.5 112.534 -179.283 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 784' ' ' VAL . . . . . . . . . . . . . 58.6 t -75.27 -56.79 7.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 121.008 0.432 . . . . 10.4 109.985 177.347 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 43.2 m-20 -121.22 88.28 2.91 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.664 -0.698 . . . . 11.27 110.207 177.477 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 786' ' ' SER . . . . . 0.463 ' HA ' ' HD3' ' A' ' 787' ' ' PRO . 47.4 m -99.05 120.91 57.27 Favored Pre-proline 0 C--N 1.321 -0.654 0 N-CA-C 109.741 -0.466 . . . . 8.95 109.741 176.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 787' ' ' PRO . . . . . 0.463 ' HD3' ' HA ' ' A' ' 786' ' ' SER . 16.2 Cg_exo -68.88 -25.68 32.61 Favored 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.748 2.299 . . . . 11.09 111.998 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 788' ' ' SER . . . . . . . . . . . . . 50.6 m -130.21 147.29 51.92 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.808 -0.633 . . . . 10.45 110.019 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -89.92 -25.91 20.71 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.02 -0.536 . . . . 9.07 111.243 -176.751 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 790' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -83.19 -63.71 1.31 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.171 -0.468 . . . . 9.34 110.434 178.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 791' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -86.58 65.95 9.26 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.331 0.586 . . . . 8.68 110.047 178.165 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -59.25 99.57 0.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 114.822 -1.081 . . . . 7.1 111.775 -177.013 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 793' ' ' LYS . . . . . . . . . . . . . 60.4 tttp 71.93 -66.25 0.31 Allowed 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.218 -0.901 . . . . 6.3 112.008 173.073 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 48.7 pttt -76.65 134.36 39.31 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-O 121.337 0.589 . . . . 6.55 110.628 -177.359 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -164.2 30.1 0.07 Allowed 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 114.725 -1.125 . . . . 1.56 110.957 -177.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 796' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -78.13 95.35 4.89 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.451 0.643 . . . . 1.68 109.512 173.135 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 797' ' ' LEU . . . . . . . . . . . . . 43.7 mt -100.8 151.67 21.42 Favored 'General case' 0 N--CA 1.439 -1.003 0 CA-C-O 121.687 0.756 . . . . 0.55 110.625 -173.308 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 798' ' ' LEU . . . . . 0.408 HD23 ' H ' ' A' ' 798' ' ' LEU . 1.6 pt? -149.95 -178.5 6.51 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 104.685 -2.339 . . . . 1.31 104.685 173.218 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 799' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.06 142.57 27.57 Favored 'General case' 0 C--N 1.314 -0.969 0 C-N-CA 116.655 -2.018 . . . . 1.78 114.334 -174.503 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 800' ' ' CYS . . . . . 0.573 ' HA ' ' HA ' ' A' ' 818' ' ' PHE . 5.5 t -40.6 107.43 0.07 Allowed 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 111.54 -2.573 . . . . 0.3 112.732 176.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -61.33 0.53 0.27 Allowed 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 123.319 0.648 . . . . 2.42 112.344 176.077 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 802' ' ' TYR . . . . . . . . . . . . . 62.9 t80 -103.0 -48.41 4.06 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 122.063 -0.398 . . . . 0.87 110.605 178.578 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 7.7 p -115.47 -29.88 6.39 Favored 'General case' 0 N--CA 1.466 0.325 0 N-CA-C 112.68 0.622 . . . . 0.29 112.68 -178.478 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 804' ' ' GLY . . . . . 0.475 ' H ' ' HB3' ' A' ' 800' ' ' CYS . . . 97.99 21.54 17.95 Favored Glycine 0 C--N 1.322 -0.232 0 C-N-CA 120.658 -0.782 . . . . 0.27 113.759 172.196 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 805' ' ' LYS . . . . . 0.431 ' HA ' ' HD2' ' A' ' 805' ' ' LYS . 11.3 mmmm -81.76 131.35 35.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 117.439 0.619 . . . . 2.31 110.265 179.81 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 806' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -84.5 131.18 34.67 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.015 -0.539 . . . . 0.93 109.683 -177.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 807' ' ' ALA . . . . . 0.443 ' HB1' ' NE2' ' A' ' 811' ' ' GLN . . . -162.36 165.31 15.78 Favored Pre-proline 0 N--CA 1.445 -0.707 0 CA-C-N 115.38 -0.827 . . . . 0.31 110.204 -171.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 808' ' ' PRO . . . . . 0.51 ' HD2' ' OE1' ' A' ' 811' ' ' GLN . 14.7 Cg_exo -71.3 135.34 26.64 Favored 'Trans proline' 0 CA--C 1.517 -0.348 0 C-N-CA 122.683 2.255 . . . . 0.57 111.549 -177.206 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 809' ' ' ALA . . . . . . . . . . . . . . . -45.02 -23.8 0.18 Allowed 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 115.447 -0.797 . . . . 0.29 113.073 176.303 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -57.05 -53.43 58.22 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 114.026 1.121 . . . . 2.86 114.026 -177.516 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 811' ' ' GLN . . . . . 0.51 ' OE1' ' HD2' ' A' ' 808' ' ' PRO . 4.1 pm0 -87.17 23.88 1.71 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 118.682 0.673 . . . . 1.28 110.7 -177.535 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 812' ' ' PHE . . . . . 0.44 ' HB3' ' HD3' ' A' ' 816' ' ' LYS . 8.4 m-85 -96.13 53.98 1.41 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.962 0.887 . . . . 0.54 108.704 172.033 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 813' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' A' ' 813' ' ' ARG . 50.2 mtm180 -73.59 147.05 44.23 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.044 -1.435 . . . . 4.06 111.476 179.417 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 83.14 -68.8 3.49 Favored Glycine 0 N--CA 1.448 -0.525 0 CA-C-N 115.8 -0.636 . . . . 2.06 111.598 179.514 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 20.6 m -125.15 115.31 20.25 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 109.864 -0.421 . . . . 1.93 109.864 178.572 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 816' ' ' LYS . . . . . 0.44 ' HD3' ' HB3' ' A' ' 812' ' ' PHE . 3.1 tppp? -75.78 56.11 0.92 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 122.064 0.935 . . . . 1.66 108.84 176.639 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 817' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -142.28 -33.56 0.48 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 114.351 -1.295 . . . . 3.2 109.683 -171.447 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 818' ' ' PHE . . . . . 0.573 ' HA ' ' HA ' ' A' ' 800' ' ' CYS . 21.1 m-85 -134.06 146.14 50.04 Favored 'General case' 0 CA--C 1.515 -0.38 0 N-CA-C 109.208 -0.664 . . . . 0.52 109.208 -172.076 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 819' ' ' CYS . . . . . 0.559 ' SG ' ' HB2' ' A' ' 800' ' ' CYS . 1.6 p -74.77 101.43 4.33 Favored 'General case' 0 N--CA 1.441 -0.88 0 C-N-CA 119.572 -0.851 . . . . 1.36 110.93 -177.801 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 20.9 t 88.11 -155.26 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.35 0.66 . . . . 1.18 110.393 161.568 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 821' ' ' MET . . . . . 0.625 ' O ' ' HG2' ' A' ' 825' ' ' LYS . 3.1 mmt -84.21 -59.69 2.32 Favored 'General case' 0 C--O 1.223 -0.306 0 N-CA-C 112.56 0.578 . . . . 2.1 112.56 -172.296 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 822' ' ' THR . . . . . 0.412 ' O ' ' HB2' ' A' ' 826' ' ' ARG . 13.5 m -44.88 -41.96 7.58 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 123.252 0.621 . . . . 0.77 112.394 178.437 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 823' ' ' CYS . . . . . 0.439 ' HB3' ' HB3' ' A' ' 818' ' ' PHE . 97.1 m -72.63 -41.61 65.33 Favored 'General case' 0 C--N 1.315 -0.908 0 N-CA-C 112.216 0.45 . . . . 0.62 112.216 -179.306 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 824' ' ' ALA . . . . . . . . . . . . . . . -59.03 -44.7 91.78 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.136 0.493 . . . . 0.32 109.74 174.004 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 825' ' ' LYS . . . . . 0.625 ' HG2' ' O ' ' A' ' 821' ' ' MET . 31.7 mmmt -62.24 -44.62 96.15 Favored 'General case' 0 N--CA 1.456 -0.126 0 CA-C-O 121.811 0.815 . . . . 2.6 111.273 178.703 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 826' ' ' ARG . . . . . 0.412 ' HB2' ' O ' ' A' ' 822' ' ' THR . 22.8 tpt180 -66.45 -21.99 66.2 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-N 114.33 -1.305 . . . . 3.53 110.92 -171.829 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 827' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -59.54 -27.59 66.34 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.456 -0.793 . . . . 1.49 111.178 178.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 828' ' ' ASN . . . . . 0.632 HD22 ' N ' ' A' ' 828' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.934 0 CA-C-N 115.135 -0.939 . . . . 3.1 110.202 -173.299 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 829' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.7 0 N-CA-C 111.989 -0.444 . . . . 12.46 111.989 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 36.2 m -74.71 106.27 6.19 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 110.351 -0.24 . . . . 10.84 110.351 179.008 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 53.9 mtt180 69.1 -68.51 0.18 Allowed 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 123.416 0.686 . . . . 12.75 110.554 -176.182 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 783' ' ' GLY . . . . . 0.643 ' HA3' ' HD3' ' A' ' 793' ' ' LYS . . . 100.6 82.91 1.7 Allowed Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.952 -0.642 . . . . 8.5 112.266 -179.769 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 784' ' ' VAL . . . . . . . . . . . . . 11.9 p -123.71 128.71 74.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 120.667 0.27 . . . . 10.4 110.401 176.707 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 9.0 t70 50.52 52.37 14.98 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 121.504 0.669 . . . . 11.27 110.353 178.223 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 786' ' ' SER . . . . . 0.436 ' HA ' ' HD3' ' A' ' 787' ' ' PRO . 19.9 m -83.62 141.17 41.49 Favored Pre-proline 0 C--N 1.321 -0.643 0 CA-C-N 115.855 -0.611 . . . . 8.95 110.598 -178.06 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 787' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 786' ' ' SER . 6.6 Cg_exo -73.95 54.13 3.04 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 123.05 2.5 . . . . 11.09 111.28 176.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 788' ' ' SER . . . . . . . . . . . . . 29.5 t -164.54 172.78 12.82 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.341 -0.985 . . . . 10.45 108.341 -177.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -76.44 55.64 1.02 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.242 0.544 . . . . 9.07 110.827 179.087 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 790' ' ' GLU . . . . . 0.697 ' HB3' ' HD2' ' A' ' 793' ' ' LYS . 42.2 mt-10 -119.81 35.1 4.96 Favored 'General case' 0 CA--C 1.511 -0.553 0 CA-C-N 115.841 -0.618 . . . . 9.34 111.144 -178.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 791' ' ' LEU . . . . . . . . . . . . . 82.8 mt -94.37 21.67 6.84 Favored 'General case' 0 C--N 1.307 -1.248 0 C-N-CA 119.624 -0.831 . . . . 8.68 110.221 -177.124 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -118.84 4.63 11.49 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.479 -0.782 . . . . 7.1 110.289 -178.127 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 793' ' ' LYS . . . . . 0.697 ' HD2' ' HB3' ' A' ' 790' ' ' GLU . 17.0 mtpp -71.81 -33.13 68.28 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.512 -0.921 . . . . 6.3 108.512 177.508 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 794' ' ' LYS . . . . . 0.44 ' O ' ' HB3' ' A' ' 795' ' ' ALA . 17.9 pttm -163.31 -153.97 0.26 Allowed 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 114.055 -1.429 . . . . 6.55 108.394 176.148 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 795' ' ' ALA . . . . . 0.44 ' HB3' ' O ' ' A' ' 794' ' ' LYS . . . 79.58 -9.37 1.46 Allowed 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.368 0.667 . . . . 1.56 110.343 -178.42 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 796' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -76.55 111.78 12.4 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.472 -0.786 . . . . 1.68 109.661 173.7 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 797' ' ' LEU . . . . . . . . . . . . . 21.9 mt -97.54 144.95 26.72 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 115.73 -0.668 . . . . 0.55 110.466 -176.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 798' ' ' LEU . . . . . 0.475 HD22 ' C ' ' A' ' 798' ' ' LEU . 0.0 OUTLIER -145.64 149.3 34.23 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 106.985 -1.487 . . . . 1.31 106.985 173.358 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 799' ' ' LYS . . . . . 0.561 ' H ' ' HD3' ' A' ' 799' ' ' LYS . 0.0 OUTLIER -109.46 135.52 50.36 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 117.489 -1.684 . . . . 1.78 113.878 -167.216 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 800' ' ' CYS . . . . . 0.683 ' HB2' ' SG ' ' A' ' 819' ' ' CYS . 43.9 t -39.07 109.45 0.11 Allowed 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 112.006 -2.361 . . . . 0.3 112.227 171.808 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -62.62 6.0 0.1 Allowed 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 113.609 0.966 . . . . 2.42 113.609 178.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 802' ' ' TYR . . . . . . . . . . . . . 26.7 t80 -105.84 -42.08 5.24 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.291 -0.563 . . . . 0.87 110.451 177.123 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 9.5 p -116.59 -31.4 5.54 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 112.933 0.716 . . . . 0.29 112.933 -179.582 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 97.22 22.17 17.98 Favored Glycine 0 C--N 1.32 -0.336 0 C-N-CA 120.103 -1.046 . . . . 0.27 113.126 177.581 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 805' ' ' LYS . . . . . . . . . . . . . 32.7 mmtp -81.83 128.88 34.47 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.914 0.357 . . . . 2.31 110.27 178.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 806' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -88.24 128.37 35.47 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.534 -0.543 . . . . 0.93 109.534 179.241 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -155.39 157.78 31.76 Favored Pre-proline 0 C--N 1.316 -0.849 0 CA-C-N 115.074 -0.967 . . . . 0.31 109.666 -176.161 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 808' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_exo -62.15 127.49 21.32 Favored 'Trans proline' 0 N--CA 1.456 -0.729 0 C-N-CA 122.175 1.917 . . . . 0.57 111.265 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 809' ' ' ALA . . . . . . . . . . . . . . . -43.1 -28.43 0.28 Allowed 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 114.035 1.124 . . . . 0.29 114.035 -178.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 810' ' ' GLU . . . . . 0.427 ' OE1' ' HD3' ' A' ' 794' ' ' LYS . 55.5 mt-10 -59.84 -29.66 68.42 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 120.925 0.393 . . . . 2.86 111.864 -179.001 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -76.3 -26.14 55.55 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.222 0.534 . . . . 1.28 110.001 -175.263 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 812' ' ' PHE . . . . . 0.564 ' HB3' ' HA ' ' A' ' 816' ' ' LYS . 14.0 m-85 -70.44 69.06 0.38 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.496 -0.774 . . . . 0.54 111.613 176.615 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 39.7 mmt180 -70.83 -40.26 72.51 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.412 -0.813 . . . . 4.06 109.89 175.41 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . -83.27 62.04 4.68 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.862 -0.685 . . . . 2.06 111.496 175.04 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 25.7 m 70.42 143.86 0.05 Allowed 'General case' 0 C--O 1.236 0.344 0 CA-C-O 121.415 0.626 . . . . 1.93 111.138 -177.341 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 816' ' ' LYS . . . . . 0.564 ' HA ' ' HB3' ' A' ' 812' ' ' PHE . 35.1 mmtp -75.28 56.33 0.82 Allowed 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.703 -0.681 . . . . 1.66 109.961 -179.545 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 817' ' ' ARG . . . . . 0.407 ' O ' ' HA ' ' A' ' 800' ' ' CYS . 51.8 mtm-85 -143.76 -29.94 0.5 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.705 -0.679 . . . . 3.2 110.071 -175.119 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 818' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -137.63 112.42 8.92 Favored 'General case' 0 C--N 1.334 -0.093 0 CA-C-O 120.918 0.39 . . . . 0.52 110.592 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 819' ' ' CYS . . . . . 0.683 ' SG ' ' HB2' ' A' ' 800' ' ' CYS . 1.8 p -50.2 107.75 0.18 Allowed 'General case' 0 C--O 1.221 -0.405 0 N-CA-C 114.267 1.21 . . . . 1.36 114.267 178.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 24.8 p 89.07 -161.07 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.273 1.029 . . . . 1.18 110.505 160.348 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 821' ' ' MET . . . . . 0.418 ' CE ' ' HA ' ' A' ' 821' ' ' MET . 14.7 mmt -85.55 -54.63 4.44 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 122.098 -0.376 . . . . 2.1 110.822 -179.317 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 822' ' ' THR . . . . . 0.452 ' O ' ' HB2' ' A' ' 826' ' ' ARG . 51.8 m -45.5 -49.13 13.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.322 -0.854 . . . . 0.77 112.835 177.707 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 823' ' ' CYS . . . . . 0.634 ' HB2' ' O ' ' A' ' 819' ' ' CYS . 93.1 m -73.28 -42.74 62.09 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 112.24 0.459 . . . . 0.62 112.24 -176.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 824' ' ' ALA . . . . . . . . . . . . . . . -61.93 -42.76 99.47 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.666 -0.414 . . . . 0.32 110.845 179.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -69.41 -28.85 66.51 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-O 121.466 0.651 . . . . 2.6 110.485 178.223 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 826' ' ' ARG . . . . . 0.452 ' HB2' ' O ' ' A' ' 822' ' ' THR . 8.6 tpt180 -68.12 -24.3 65.0 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 114.726 -1.124 . . . . 3.53 111.405 -175.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 827' ' ' TYR . . . . . . . . . . . . . 38.7 t80 -55.96 -29.97 61.02 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 121.473 0.654 . . . . 1.49 110.911 -179.639 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 828' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 . . . . . 0 C--O 1.247 0.959 0 CA-C-N 115.128 -0.942 . . . . 3.1 109.455 178.176 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 829' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.765 0 N-CA-C 111.833 -0.507 . . . . 12.46 111.833 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 13.7 p -75.7 144.81 41.37 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.096 0.474 . . . . 10.84 110.491 177.676 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.419 ' HB3' HD12 ' A' ' 791' ' ' LEU . 49.5 mtt180 -92.63 73.65 5.06 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.361 0.601 . . . . 12.75 110.274 -176.185 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . 73.26 -114.76 4.85 Favored Glycine 0 N--CA 1.447 -0.572 0 CA-C-N 115.332 -0.849 . . . . 8.5 111.234 -177.301 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 784' ' ' VAL . . . . . . . . . . . . . 27.1 m -100.04 11.07 6.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.367 0.603 . . . . 10.4 109.584 173.594 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 66.19 30.83 9.06 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 114.742 -1.117 . . . . 11.27 111.786 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 786' ' ' SER . . . . . 0.615 ' HB2' ' HG3' ' A' ' 790' ' ' GLU . 50.4 m -101.08 120.11 56.12 Favored Pre-proline 0 C--N 1.323 -0.575 0 N-CA-C 109.617 -0.512 . . . . 8.95 109.617 172.22 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 787' ' ' PRO . . . . . 0.52 ' HD3' ' HA ' ' A' ' 786' ' ' SER . 2.0 Cg_endo -83.24 30.0 0.54 Allowed 'Trans proline' 0 N--CA 1.461 -0.389 0 C-N-CA 123.397 2.731 . . . . 11.09 113.064 -175.426 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 788' ' ' SER . . . . . . . . . . . . . 46.5 m -89.34 -109.2 0.08 Allowed 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.817 -0.438 . . . . 10.45 109.817 177.054 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -120.49 20.18 11.88 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 108.614 -0.884 . . . . 9.07 108.614 171.448 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 790' ' ' GLU . . . . . 0.615 ' HG3' ' HB2' ' A' ' 786' ' ' SER . 12.2 mm-40 -76.43 -44.93 33.7 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.18 -1.373 . . . . 9.34 111.037 -176.597 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 791' ' ' LEU . . . . . 0.764 HD22 ' H ' ' A' ' 791' ' ' LEU . 3.2 mm? -16.21 67.04 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 126.308 1.843 . . . . 8.68 115.947 -167.6 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 792' ' ' ASP . . . . . 0.428 ' O ' ' HB3' ' A' ' 793' ' ' LYS . 27.8 t70 59.33 45.69 13.64 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 121.344 0.592 . . . . 7.1 111.365 175.703 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 793' ' ' LYS . . . . . 0.428 ' HB3' ' O ' ' A' ' 792' ' ' ASP . 7.2 ttpm? 78.15 -61.2 0.39 Allowed 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.232 -0.895 . . . . 6.3 111.965 172.542 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 794' ' ' LYS . . . . . 0.485 ' HG2' ' O ' ' A' ' 791' ' ' LEU . 29.8 mmtp 71.74 -39.31 0.45 Allowed 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.128 0.971 . . . . 6.55 113.489 176.821 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 795' ' ' ALA . . . . . 0.416 ' HB3' ' O ' ' A' ' 794' ' ' LYS . . . 78.27 22.91 0.73 Allowed 'General case' 0 N--CA 1.462 0.164 0 C-N-CA 123.666 0.786 . . . . 1.56 110.628 -179.371 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 796' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -76.14 103.47 6.2 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.526 0.679 . . . . 1.68 110.091 176.301 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 797' ' ' LEU . . . . . . . . . . . . . 21.4 mt -92.75 149.65 21.16 Favored 'General case' 0 N--CA 1.44 -0.954 0 CA-C-N 115.74 -0.663 . . . . 0.55 111.069 -176.363 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 798' ' ' LEU . . . . . 0.481 HD22 ' C ' ' A' ' 798' ' ' LEU . 0.0 OUTLIER -145.98 157.91 43.87 Favored 'General case' 0 C--N 1.311 -1.094 0 N-CA-C 105.453 -2.054 . . . . 1.31 105.453 166.365 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 799' ' ' LYS . . . . . 0.663 ' HD3' ' CZ ' ' A' ' 806' ' ' TYR . 62.4 pttt -116.29 139.65 50.16 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 116.896 -1.922 . . . . 1.78 114.318 -164.817 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 800' ' ' CYS . . . . . 0.659 ' HB2' ' SG ' ' A' ' 819' ' ' CYS . 19.1 t -46.83 103.87 0.04 OUTLIER 'General case' 0 N--CA 1.444 -0.758 0 CA-C-N 111.688 -2.506 . . . . 0.3 111.656 171.75 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -65.58 18.12 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 113.61 0.967 . . . . 2.42 113.61 -176.683 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 802' ' ' TYR . . . . . 0.472 ' CE2' ' HG3' ' A' ' 826' ' ' ARG . 46.8 t80 -107.78 -45.63 3.97 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.957 0.408 . . . . 0.87 109.952 172.643 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 10.9 p -113.63 -24.02 9.44 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.173 -0.467 . . . . 0.29 111.89 -177.054 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 89.12 19.36 50.8 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.365 -0.922 . . . . 0.27 112.475 173.54 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 805' ' ' LYS . . . . . 0.407 ' HA ' ' HD3' ' A' ' 805' ' ' LYS . 33.1 mmtm -86.3 133.44 33.81 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.827 -0.434 . . . . 2.31 109.827 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 806' ' ' TYR . . . . . 0.663 ' CZ ' ' HD3' ' A' ' 799' ' ' LYS . 98.1 m-85 -84.88 129.22 34.84 Favored 'General case' 0 CA--C 1.513 -0.48 0 CA-C-O 121.254 0.55 . . . . 0.93 109.634 -177.216 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 807' ' ' ALA . . . . . 0.4 ' HA ' ' HD3' ' A' ' 808' ' ' PRO . . . -147.83 155.34 44.5 Favored Pre-proline 0 C--N 1.315 -0.9 0 CA-C-N 114.957 -1.019 . . . . 0.31 109.547 -174.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 808' ' ' PRO . . . . . 0.458 ' O ' ' HG3' ' A' ' 811' ' ' GLN . 11.7 Cg_exo -68.93 132.72 25.31 Favored 'Trans proline' 0 N--CA 1.458 -0.616 0 C-N-CA 122.292 1.994 . . . . 0.57 111.461 -176.076 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 809' ' ' ALA . . . . . . . . . . . . . . . -42.34 -28.97 0.23 Allowed 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 115.023 -0.989 . . . . 0.29 113.357 179.31 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 810' ' ' GLU . . . . . 0.417 ' O ' ' HG3' ' A' ' 813' ' ' ARG . 0.2 OUTLIER -52.33 -47.75 65.86 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 112.523 0.564 . . . . 2.86 112.523 178.821 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 811' ' ' GLN . . . . . 0.507 HE22 ' HA ' ' A' ' 819' ' ' CYS . 0.5 OUTLIER -86.52 15.75 5.23 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 112.063 0.394 . . . . 1.28 112.063 -175.515 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 812' ' ' PHE . . . . . 0.709 ' HB3' ' HD3' ' A' ' 816' ' ' LYS . 36.0 m-85 -100.12 33.33 2.66 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.298 0.57 . . . . 0.54 110.704 178.119 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 813' ' ' ARG . . . . . 0.417 ' HG3' ' O ' ' A' ' 810' ' ' GLU . 45.5 mtt180 -82.8 152.51 25.64 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.816 -0.629 . . . . 4.06 110.257 179.394 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 94.56 -54.39 2.02 Favored Glycine 0 N--CA 1.443 -0.838 0 N-CA-C 110.808 -0.917 . . . . 2.06 110.808 -169.199 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 65.1 m -158.52 121.3 3.74 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 122.532 0.333 . . . . 1.93 110.207 176.478 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 816' ' ' LYS . . . . . 0.709 ' HD3' ' HB3' ' A' ' 812' ' ' PHE . 33.1 mmtp -76.55 63.33 2.05 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 121.132 0.491 . . . . 1.66 110.023 178.334 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 817' ' ' ARG . . . . . . . . . . . . . 15.8 mtt180 -151.26 -32.16 0.16 Allowed 'General case' 0 C--N 1.318 -0.779 0 C-N-CA 123.651 0.78 . . . . 3.2 110.107 -173.199 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 818' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -134.5 163.1 30.46 Favored 'General case' 0 N--CA 1.442 -0.864 0 N-CA-C 109.479 -0.563 . . . . 0.52 109.479 -178.283 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 819' ' ' CYS . . . . . 0.659 ' SG ' ' HB2' ' A' ' 800' ' ' CYS . 0.0 OUTLIER -66.22 -161.04 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.767 -0.827 . . . . 1.36 108.767 168.58 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 21.3 m -69.38 -119.42 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 112.906 0.706 . . . . 1.18 112.906 -162.271 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 821' ' ' MET . . . . . 0.451 ' O ' ' HB3' ' A' ' 825' ' ' LYS . 42.7 mmm -81.49 -54.71 5.21 Favored 'General case' 0 CA--C 1.506 -0.731 0 O-C-N 120.97 -1.081 . . . . 2.1 111.37 -170.599 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 822' ' ' THR . . . . . . . . . . . . . 1.6 m -45.95 -54.49 8.2 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 123.775 0.672 . . . . 0.77 112.088 -178.344 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 823' ' ' CYS . . . . . . . . . . . . . 58.0 m -72.64 -44.98 61.19 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 113.064 0.764 . . . . 0.62 113.064 -174.224 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 824' ' ' ALA . . . . . . . . . . . . . . . -60.89 -41.23 95.62 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.575 -0.45 . . . . 0.32 110.553 176.484 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 825' ' ' LYS . . . . . 0.451 ' HB3' ' O ' ' A' ' 821' ' ' MET . 57.4 tttt -62.53 -38.56 90.46 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-O 121.635 0.731 . . . . 2.6 111.308 174.234 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 826' ' ' ARG . . . . . 0.472 ' HG3' ' CE2' ' A' ' 802' ' ' TYR . 17.4 tpp180 -68.41 -27.95 66.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 114.663 -1.153 . . . . 3.53 111.266 -175.228 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 827' ' ' TYR . . . . . . . . . . . . . 37.5 t80 -56.34 -39.03 72.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.057 -0.52 . . . . 1.49 111.481 -179.522 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 828' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.248 0.999 0 CA-C-O 117.899 -1.048 . . . . 3.1 109.839 -173.51 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 829' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.616 0 N-CA-C 112.062 -0.415 . . . . 12.46 112.062 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.3 m -127.29 36.21 4.44 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.437 0.637 . . . . 10.84 109.58 179.459 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 39.3 ptt180 -144.52 144.33 31.28 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.885 -0.598 . . . . 12.75 111.703 -172.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -116.79 122.02 5.35 Favored Glycine 0 N--CA 1.448 -0.503 0 N-CA-C 110.235 -1.146 . . . . 8.5 110.235 173.019 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 784' ' ' VAL . . . . . . . . . . . . . 33.7 m -98.63 -40.39 9.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 117.433 0.616 . . . . 10.4 111.715 -174.311 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -158.11 97.81 1.55 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.984 -0.747 . . . . 11.27 108.984 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 786' ' ' SER . . . . . . . . . . . . . 19.0 m -120.19 121.65 29.33 Favored Pre-proline 0 C--N 1.318 -0.77 0 CA-C-N 116.291 -0.413 . . . . 8.95 111.001 -175.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 787' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_exo -67.4 -26.29 41.18 Favored 'Trans proline' 0 N--CA 1.464 -0.227 0 C-N-CA 122.802 2.335 . . . . 11.09 110.79 172.114 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 788' ' ' SER . . . . . . . . . . . . . 14.0 m -82.84 167.83 17.71 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.056 -0.975 . . . . 10.45 110.089 177.082 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -83.97 47.51 1.32 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.241 0.543 . . . . 9.07 110.549 -178.637 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 790' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -92.28 -7.62 47.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.1 -0.5 . . . . 9.34 111.535 -178.026 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 791' ' ' LEU . . . . . . . . . . . . . 90.5 mt -80.55 12.53 3.02 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.374 0.607 . . . . 8.68 110.792 -177.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -132.16 6.38 4.21 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.267 -0.879 . . . . 7.1 109.557 177.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 793' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -71.86 -38.11 70.13 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.611 -0.722 . . . . 6.3 109.71 -178.046 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 46.9 pttt -161.08 -131.03 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 108.28 -1.007 . . . . 6.55 108.28 174.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 795' ' ' ALA . . . . . 0.455 ' O ' ' HG ' ' A' ' 797' ' ' LEU . . . 63.22 13.84 7.26 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.959 0.409 . . . . 1.56 111.271 -178.027 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 796' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -77.08 92.22 3.74 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.783 0.801 . . . . 1.68 109.591 175.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 797' ' ' LEU . . . . . 0.455 ' HG ' ' O ' ' A' ' 795' ' ' ALA . 22.4 mt -94.89 152.58 18.25 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-O 121.816 0.817 . . . . 0.55 111.724 -171.041 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 798' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -147.93 179.36 7.79 Favored 'General case' 0 C--N 1.312 -1.063 0 N-CA-C 104.699 -2.334 . . . . 1.31 104.699 169.507 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 799' ' ' LYS . . . . . 0.447 ' HB2' ' O ' ' A' ' 805' ' ' LYS . 0.0 OUTLIER -147.28 146.18 29.65 Favored 'General case' 0 N--CA 1.442 -0.833 0 C-N-CA 116.22 -2.192 . . . . 1.78 115.226 -172.782 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 800' ' ' CYS . . . . . 0.535 ' HB2' ' SG ' ' A' ' 819' ' ' CYS . 6.9 t -41.85 104.21 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 111.319 -2.673 . . . . 0.3 112.779 175.244 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -61.91 7.52 0.05 Allowed 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 113.171 0.804 . . . . 2.42 113.171 174.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 802' ' ' TYR . . . . . 0.412 ' H ' ' C ' ' A' ' 800' ' ' CYS . 18.3 t80 -105.58 -46.85 4.07 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 122.078 -0.389 . . . . 0.87 110.118 177.158 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 5.5 p -117.39 -27.08 6.49 Favored 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 112.964 0.728 . . . . 0.29 112.964 -177.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 96.52 23.53 16.06 Favored Glycine 0 CA--C 1.517 0.213 0 C-N-CA 120.469 -0.872 . . . . 0.27 113.41 173.714 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 805' ' ' LYS . . . . . 0.447 ' O ' ' HB2' ' A' ' 799' ' ' LYS . 0.0 OUTLIER -82.27 124.44 29.95 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.832 0.316 . . . . 2.31 110.453 178.687 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 806' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -87.54 129.06 35.22 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-O 121.1 0.476 . . . . 0.93 109.881 -178.322 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -158.48 165.66 18.09 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-N 115.047 -0.978 . . . . 0.31 110.237 -172.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 808' ' ' PRO . . . . . . . . . . . . . 15.2 Cg_exo -68.28 130.0 20.35 Favored 'Trans proline' 0 N--CA 1.459 -0.527 0 C-N-CA 122.145 1.897 . . . . 0.57 111.674 -178.358 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 809' ' ' ALA . . . . . . . . . . . . . . . -43.01 -27.94 0.23 Allowed 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 114.88 -1.055 . . . . 0.29 113.509 178.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -57.41 -38.83 74.94 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.915 0.709 . . . . 2.86 112.915 -176.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -74.48 -20.75 59.88 Favored 'General case' 0 C--O 1.234 0.273 0 C-N-CA 121.225 -0.19 . . . . 1.28 111.212 -176.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 812' ' ' PHE . . . . . 0.597 ' HB2' ' HD3' ' A' ' 816' ' ' LYS . 11.5 m-85 -70.54 60.83 0.22 Allowed 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 112.713 0.634 . . . . 0.54 112.713 179.046 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 14.3 mmm180 -73.7 -22.19 60.0 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.492 -0.776 . . . . 4.06 110.878 173.585 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . -97.84 58.73 1.06 Allowed Glycine 0 N--CA 1.444 -0.807 0 N-CA-C 110.793 -0.923 . . . . 2.06 110.793 175.53 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 28.7 t 73.99 138.09 0.06 Allowed 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.502 0.668 . . . . 1.93 110.458 -175.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 816' ' ' LYS . . . . . 0.597 ' HD3' ' HB2' ' A' ' 812' ' ' PHE . 30.8 mmtp -76.5 56.83 1.14 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.572 -0.74 . . . . 1.66 109.633 179.669 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 817' ' ' ARG . . . . . . . . . . . . . 68.9 mtm180 -147.71 -29.47 0.33 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.95 -1.023 . . . . 3.2 109.945 -174.398 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 818' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -132.62 132.83 42.9 Favored 'General case' 0 CA--C 1.516 -0.337 0 N-CA-C 109.678 -0.49 . . . . 0.52 109.678 -179.096 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 819' ' ' CYS . . . . . 0.535 ' SG ' ' HB2' ' A' ' 800' ' ' CYS . 2.6 p -74.97 104.85 5.72 Favored 'General case' 0 N--CA 1.439 -0.984 0 C-N-CA 120.525 -0.47 . . . . 1.36 111.0 -173.079 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 27.6 p 87.51 -154.74 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.199 0.999 . . . . 1.18 110.248 161.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 821' ' ' MET . . . . . . . . . . . . . 31.3 mmt -85.29 -59.72 2.24 Favored 'General case' 0 C--N 1.328 -0.346 0 O-C-N 122.229 -0.295 . . . . 2.1 111.34 -172.413 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 822' ' ' THR . . . . . . . . . . . . . 25.9 m -44.97 -50.28 10.69 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 123.494 0.718 . . . . 0.77 112.822 177.546 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 823' ' ' CYS . . . . . 0.513 ' HB2' ' O ' ' A' ' 819' ' ' CYS . 72.9 m -69.77 -43.42 72.22 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 112.779 0.659 . . . . 0.62 112.779 -176.689 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 824' ' ' ALA . . . . . . . . . . . . . . . -62.03 -43.83 98.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.098 0.475 . . . . 0.32 110.246 177.137 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 825' ' ' LYS . . . . . 0.417 ' HE2' ' HB3' ' A' ' 825' ' ' LYS . 50.6 mtpt -65.05 -30.25 71.21 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-N 115.788 -0.642 . . . . 2.6 111.162 177.124 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 22.2 tpt180 -65.18 -28.17 69.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.303 0.573 . . . . 3.53 110.008 -177.172 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 827' ' ' TYR . . . . . . . . . . . . . 46.3 t80 -89.4 27.67 1.41 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.538 -0.756 . . . . 1.49 110.116 177.055 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 828' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.574 -0.727 . . . . 3.1 109.673 170.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 829' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.738 0 N-CA-C 111.665 -0.574 . . . . 12.46 111.665 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.453 ' CG2' ' HB ' ' A' ' 784' ' ' VAL . 26.4 m 58.96 65.28 1.24 Allowed 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.866 0.841 . . . . 10.84 111.085 177.58 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' A' ' 3' ' ' ARG . 5.2 ptp85 -101.98 -13.69 17.47 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.141 -0.936 . . . . 12.75 109.409 175.709 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -128.04 74.92 0.43 Allowed Glycine 0 N--CA 1.446 -0.667 0 N-CA-C 110.81 -0.916 . . . . 8.5 110.81 174.384 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 784' ' ' VAL . . . . . 0.453 ' HB ' ' CG2' ' A' ' 2' ' ' THR . 7.7 p -94.69 120.09 43.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 120.968 0.413 . . . . 10.4 110.988 -177.571 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 50.15 38.69 17.71 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.314 -0.857 . . . . 11.27 111.89 179.033 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 786' ' ' SER . . . . . . . . . . . . . 21.9 m -77.79 121.7 84.58 Favored Pre-proline 0 C--N 1.321 -0.651 0 CA-C-N 115.639 -0.71 . . . . 8.95 110.356 178.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 787' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -57.92 -53.08 4.78 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.744 2.296 . . . . 11.09 110.538 172.151 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 788' ' ' SER . . . . . 0.484 ' O ' ' HB2' ' A' ' 792' ' ' ASP . 33.7 t -99.85 127.41 46.02 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.782 -0.821 . . . . 10.45 108.782 170.525 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -59.36 -31.3 69.08 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.653 -0.703 . . . . 9.07 111.906 -174.496 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 790' ' ' GLU . . . . . 0.622 ' HA ' ' HB2' ' A' ' 793' ' ' LYS . 41.4 mm-40 -115.53 -37.31 4.02 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.256 0.465 . . . . 9.34 112.256 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 791' ' ' LEU . . . . . . . . . . . . . 90.4 mt -75.13 -14.8 60.59 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-O 121.461 0.648 . . . . 8.68 110.962 -177.467 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 792' ' ' ASP . . . . . 0.484 ' HB2' ' O ' ' A' ' 788' ' ' SER . 11.2 m-20 -118.36 19.57 13.37 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 115.141 -0.936 . . . . 7.1 109.233 174.288 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 793' ' ' LYS . . . . . 0.622 ' HB2' ' HA ' ' A' ' 790' ' ' GLU . 29.0 tttp -72.32 -27.08 62.21 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 115.118 -0.946 . . . . 6.3 108.637 176.721 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 30.0 mmmt -79.37 -46.11 18.25 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 114.865 -1.061 . . . . 6.55 110.892 179.304 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . 75.53 1.59 3.64 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 115.289 -0.869 . . . . 1.56 111.974 177.467 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 796' ' ' ASN . . . . . 0.479 ' N ' HD22 ' A' ' 796' ' ' ASN . 0.0 OUTLIER -74.95 88.78 2.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.655 0.74 . . . . 1.68 111.422 178.34 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 797' ' ' LEU . . . . . . . . . . . . . 16.8 mt -104.9 147.7 27.48 Favored 'General case' 0 N--CA 1.445 -0.678 0 O-C-N 121.763 -0.586 . . . . 0.55 110.011 -178.006 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 798' ' ' LEU . . . . . 0.477 HD22 ' N ' ' A' ' 799' ' ' LYS . 0.0 OUTLIER -151.07 173.26 14.56 Favored 'General case' 0 C--N 1.312 -1.065 0 N-CA-C 105.84 -1.911 . . . . 1.31 105.84 172.518 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 799' ' ' LYS . . . . . 0.551 ' HD2' ' CZ ' ' A' ' 806' ' ' TYR . 0.0 OUTLIER -131.0 144.73 51.7 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 116.896 -1.921 . . . . 1.78 114.503 -168.041 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 800' ' ' CYS . . . . . 0.449 ' C ' ' H ' ' A' ' 802' ' ' TYR . 43.7 t -47.3 112.2 0.5 Allowed 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 111.451 -2.613 . . . . 0.3 111.595 177.289 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -62.31 13.9 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 113.089 0.774 . . . . 2.42 113.089 176.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 802' ' ' TYR . . . . . 0.449 ' H ' ' C ' ' A' ' 800' ' ' CYS . 30.6 t80 -108.43 -88.72 0.48 Allowed 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.664 -0.865 . . . . 0.87 108.664 169.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 7.6 p -62.89 -42.98 99.97 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 113.124 0.787 . . . . 0.29 113.124 176.329 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 95.52 23.78 17.93 Favored Glycine 0 C--N 1.315 -0.628 0 C-N-CA 120.072 -1.061 . . . . 0.27 112.872 176.547 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 805' ' ' LYS . . . . . . . . . . . . . 23.6 ttpt -83.61 140.51 32.16 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.679 0.276 . . . . 2.31 110.462 177.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 806' ' ' TYR . . . . . 0.551 ' CZ ' ' HD2' ' A' ' 799' ' ' LYS . 29.7 m-85 -83.88 135.06 34.64 Favored 'General case' 0 CA--C 1.515 -0.379 0 CA-C-N 115.718 -0.674 . . . . 0.93 110.85 -176.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -157.68 155.3 26.73 Favored Pre-proline 0 C--N 1.317 -0.817 0 CA-C-N 115.057 -0.974 . . . . 0.31 110.328 -175.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 808' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_exo -62.67 128.12 22.52 Favored 'Trans proline' 0 N--CA 1.458 -0.597 0 C-N-CA 122.285 1.99 . . . . 0.57 111.022 177.12 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 809' ' ' ALA . . . . . . . . . . . . . . . -44.02 -23.98 0.12 Allowed 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 113.84 1.052 . . . . 0.29 113.84 179.664 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.44 -34.22 68.74 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 122.961 0.504 . . . . 2.86 110.683 178.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -78.68 -25.16 44.78 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 116.133 -0.485 . . . . 1.28 110.789 -174.203 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 812' ' ' PHE . . . . . 0.417 ' HB3' ' HA ' ' A' ' 816' ' ' LYS . 3.9 m-85 -68.64 58.54 0.09 Allowed 'General case' 0 CA--C 1.531 0.239 0 CA-C-O 121.76 0.79 . . . . 0.54 111.699 175.385 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 68.1 mtt180 -82.41 144.48 30.46 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 114.537 -1.211 . . . . 4.06 110.087 177.742 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 91.49 -48.67 2.87 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.876 -0.678 . . . . 2.06 111.791 -176.403 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 12.1 p -160.74 126.11 3.82 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.712 0.291 . . . . 1.93 110.847 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 816' ' ' LYS . . . . . 0.417 ' HA ' ' HB3' ' A' ' 812' ' ' PHE . 0.5 OUTLIER -78.4 57.93 2.04 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 121.542 0.687 . . . . 1.66 110.045 179.456 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 817' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -136.23 -34.85 0.77 Allowed 'General case' 0 C--N 1.319 -0.76 0 C-N-CA 124.001 0.92 . . . . 3.2 109.167 -175.499 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 818' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -136.44 164.26 28.58 Favored 'General case' 0 N--CA 1.442 -0.863 0 N-CA-C 108.377 -0.971 . . . . 0.52 108.377 -176.207 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 819' ' ' CYS . . . . . 0.4 ' SG ' ' HB2' ' A' ' 800' ' ' CYS . 1.3 p -67.21 -158.82 0.02 OUTLIER 'General case' 0 C--N 1.31 -1.121 0 N-CA-C 108.488 -0.93 . . . . 1.36 108.488 168.664 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 48.4 p -67.26 -120.49 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 113.985 1.106 . . . . 1.18 113.985 -158.188 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 821' ' ' MET . . . . . 0.55 ' O ' ' HG2' ' A' ' 825' ' ' LYS . 32.5 mmt -83.67 -64.58 1.14 Allowed 'General case' 0 C--N 1.319 -0.726 0 O-C-N 120.95 -1.093 . . . . 2.1 111.836 -163.052 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 822' ' ' THR . . . . . . . . . . . . . 18.2 m -45.55 -46.09 13.88 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 112.847 0.684 . . . . 0.77 112.847 -178.046 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 823' ' ' CYS . . . . . . . . . . . . . 86.9 m -73.52 -50.31 22.11 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 112.811 0.671 . . . . 0.62 112.811 -174.66 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 824' ' ' ALA . . . . . . . . . . . . . . . -57.75 -42.74 84.56 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-O 121.116 0.484 . . . . 0.32 110.213 178.708 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 825' ' ' LYS . . . . . 0.55 ' HG2' ' O ' ' A' ' 821' ' ' MET . 25.9 mmmt -65.7 -39.28 91.09 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.606 -0.724 . . . . 2.6 111.633 -179.549 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 826' ' ' ARG . . . . . 0.622 ' HA ' ' NE ' ' A' ' 826' ' ' ARG . 1.4 tpm_? -69.69 -27.47 65.03 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.796 -0.361 . . . . 3.53 111.565 -171.055 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 827' ' ' TYR . . . . . . . . . . . . . 63.1 t80 -80.24 -20.07 45.4 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.638 -0.504 . . . . 1.49 109.638 -177.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 828' ' ' ASN . . . . . . . . . . . . . 26.5 m-80 . . . . . 0 C--O 1.251 1.142 0 CA-C-O 118.406 -0.807 . . . . 3.1 110.163 176.0 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 829' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.707 0 N-CA-C 111.754 -0.539 . . . . 12.46 111.754 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 22.0 m 62.42 91.62 0.06 Allowed 'General case' 0 CA--C 1.532 0.282 0 CA-C-O 121.371 0.605 . . . . 10.84 111.739 178.517 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.426 HH11 ' HD2' ' A' ' 3' ' ' ARG . 43.9 mtm180 -109.23 -8.98 15.03 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.385 0.612 . . . . 12.75 109.978 176.523 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -143.36 -179.54 20.07 Favored Glycine 0 N--CA 1.444 -0.769 0 CA-C-N 115.502 -0.772 . . . . 8.5 111.288 177.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 784' ' ' VAL . . . . . 0.403 HG13 ' O ' ' A' ' 784' ' ' VAL . 4.5 p -140.7 84.18 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 121.576 0.703 . . . . 10.4 109.456 179.184 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 59.51 40.65 20.26 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.292 -0.867 . . . . 11.27 109.052 -171.732 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 786' ' ' SER . . . . . . . . . . . . . 13.8 m -107.46 127.94 26.87 Favored Pre-proline 0 N--CA 1.449 -0.485 0 CA-C-N 115.15 -0.932 . . . . 8.95 110.857 -173.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 787' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -68.63 -21.85 38.77 Favored 'Trans proline' 0 C--N 1.343 0.246 0 C-N-CA 123.223 2.615 . . . . 11.09 111.66 176.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 788' ' ' SER . . . . . 0.656 ' HB3' ' HB3' ' A' ' 792' ' ' ASP . 46.1 t -128.98 162.27 27.99 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.46 -0.791 . . . . 10.45 108.948 177.132 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -61.69 -72.05 0.13 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.708 0.29 . . . . 9.07 110.973 -177.411 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 790' ' ' GLU . . . . . 0.476 ' HA ' ' HE2' ' A' ' 793' ' ' LYS . 55.5 mt-10 -121.45 -26.62 4.95 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.039 0.385 . . . . 9.34 112.039 -178.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 791' ' ' LEU . . . . . . . . . . . . . 7.8 mp -71.96 -16.75 62.09 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 121.147 0.498 . . . . 8.68 111.904 -171.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 792' ' ' ASP . . . . . 0.656 ' HB3' ' HB3' ' A' ' 788' ' ' SER . 36.0 t70 -128.34 57.94 1.56 Allowed 'General case' 0 C--N 1.307 -1.247 0 CA-C-O 122.447 1.118 . . . . 7.1 108.298 175.037 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 793' ' ' LYS . . . . . 0.476 ' HE2' ' HA ' ' A' ' 790' ' ' GLU . 38.9 ttpt -165.8 -39.92 0.03 OUTLIER 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 113.773 -1.558 . . . . 6.3 107.879 -177.557 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 794' ' ' LYS . . . . . 0.447 ' HD2' ' N ' ' A' ' 794' ' ' LYS . 0.1 OUTLIER 64.17 91.41 0.08 Allowed 'General case' 0 C--O 1.234 0.279 0 CA-C-N 114.931 -1.031 . . . . 6.55 110.445 176.889 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 795' ' ' ALA . . . . . 0.426 ' HB3' ' HE3' ' A' ' 793' ' ' LYS . . . -163.59 51.44 0.15 Allowed 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 113.789 -1.55 . . . . 1.56 107.057 -176.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 796' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -149.17 56.75 1.0 Allowed 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 113.023 -1.899 . . . . 1.68 106.676 -174.17 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 797' ' ' LEU . . . . . . . . . . . . . 10.2 mt -88.76 153.96 20.66 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 112.767 -2.015 . . . . 0.55 112.247 -167.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 798' ' ' LEU . . . . . 0.463 HD22 ' C ' ' A' ' 798' ' ' LEU . 0.0 OUTLIER -145.85 142.95 29.3 Favored 'General case' 0 C--N 1.315 -0.908 0 N-CA-C 106.271 -1.751 . . . . 1.31 106.271 166.796 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 799' ' ' LYS . . . . . 0.671 ' H ' ' HD3' ' A' ' 799' ' ' LYS . 0.0 OUTLIER -99.77 136.43 39.7 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 118.117 -1.433 . . . . 1.78 114.401 -164.581 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 800' ' ' CYS . . . . . 0.546 ' HB2' ' SG ' ' A' ' 819' ' ' CYS . 46.8 t -43.12 107.38 0.08 Allowed 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 111.885 -2.416 . . . . 0.3 112.264 171.714 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -62.82 5.69 0.12 Allowed 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 113.115 0.784 . . . . 2.42 113.115 -179.455 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 802' ' ' TYR . . . . . 0.447 ' HB2' ' CD1' ' A' ' 818' ' ' PHE . 37.8 t80 -103.27 -49.16 3.8 Favored 'General case' 0 C--N 1.328 -0.354 0 O-C-N 121.41 -0.806 . . . . 0.87 110.335 178.803 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 7.0 p -112.29 -20.09 11.98 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 111.865 0.32 . . . . 0.29 111.865 -178.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 93.08 14.22 54.93 Favored Glycine 0 N--CA 1.445 -0.722 0 C-N-CA 120.306 -0.95 . . . . 0.27 112.599 172.284 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 805' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -85.89 136.23 33.37 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 110.325 -0.25 . . . . 2.31 110.325 -176.226 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 806' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -87.07 131.72 34.04 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.01 0.433 . . . . 0.93 110.021 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -149.4 153.88 37.82 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-N 115.395 -0.82 . . . . 0.31 109.901 -177.605 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 808' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -63.0 128.6 23.41 Favored 'Trans proline' 0 N--CA 1.46 -0.449 0 C-N-CA 122.335 2.023 . . . . 0.57 111.692 -178.049 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 809' ' ' ALA . . . . . . . . . . . . . . . -45.41 -29.52 1.11 Allowed 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 114.879 -1.055 . . . . 0.29 113.316 -177.509 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -51.66 -37.68 51.53 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 123.385 0.674 . . . . 2.86 111.503 178.08 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -77.89 -24.8 48.33 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.737 -0.665 . . . . 1.28 111.257 -175.348 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 812' ' ' PHE . . . . . 0.659 ' HB3' ' HA ' ' A' ' 816' ' ' LYS . 36.7 m-85 -69.81 49.84 0.1 Allowed 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 113.941 1.089 . . . . 0.54 113.941 179.558 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 75.2 mtt180 -81.4 145.33 30.86 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.733 -0.667 . . . . 4.06 109.407 173.041 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 94.84 -54.48 1.92 Allowed Glycine 0 N--CA 1.445 -0.727 0 N-CA-C 110.921 -0.871 . . . . 2.06 110.921 -172.514 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 18.5 p -161.56 123.5 2.92 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.422 0.153 . . . . 1.93 110.63 178.465 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 816' ' ' LYS . . . . . 0.659 ' HA ' ' HB3' ' A' ' 812' ' ' PHE . 96.0 mttt -78.51 64.89 3.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.694 0.759 . . . . 1.66 109.544 177.539 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 817' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -148.03 -34.37 0.23 Allowed 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 114.52 -1.218 . . . . 3.2 109.458 -172.449 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 818' ' ' PHE . . . . . 0.447 ' CD1' ' HB2' ' A' ' 802' ' ' TYR . 69.5 m-85 -136.75 139.81 42.12 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.189 -0.671 . . . . 0.52 109.189 -175.116 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 819' ' ' CYS . . . . . 0.546 ' SG ' ' HB2' ' A' ' 800' ' ' CYS . 2.0 p -75.0 102.86 4.97 Favored 'General case' 0 N--CA 1.439 -1.015 0 C-N-CA 119.754 -0.778 . . . . 1.36 111.001 -174.231 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 820' ' ' SER . . . . . 0.424 ' HB3' ' O ' ' A' ' 819' ' ' CYS . 34.9 t 88.36 -158.21 0.01 OUTLIER 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.132 0.573 . . . . 1.18 109.905 162.154 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 821' ' ' MET . . . . . . . . . . . . . 31.7 mmt -82.66 -54.71 4.93 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 111.718 0.266 . . . . 2.1 111.718 -173.121 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 822' ' ' THR . . . . . . . . . . . . . 3.9 m -44.17 -52.49 7.29 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 123.786 0.834 . . . . 0.77 112.837 177.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 823' ' ' CYS . . . . . . . . . . . . . 98.4 m -69.92 -48.15 59.64 Favored 'General case' 0 C--N 1.312 -1.051 0 N-CA-C 112.778 0.658 . . . . 0.62 112.778 -176.134 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 824' ' ' ALA . . . . . . . . . . . . . . . -60.45 -46.74 88.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.248 -0.433 . . . . 0.32 111.485 -177.361 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 19.9 ptmt -65.78 -30.9 71.62 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 116.013 -0.539 . . . . 2.6 110.298 -178.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 43.9 ttt180 -70.63 -25.1 62.87 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.562 -0.745 . . . . 3.53 110.646 -173.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 827' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -84.38 24.89 0.92 Allowed 'General case' 0 CA--C 1.535 0.384 0 CA-C-O 121.914 0.864 . . . . 1.49 109.909 177.017 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 828' ' ' ASN . . . . . 0.469 HD22 ' H ' ' A' ' 828' ' ' ASN . 0.1 OUTLIER . . . . . 0 C--O 1.245 0.817 0 CA-C-N 115.965 -0.561 . . . . 3.1 110.505 169.505 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 829' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_