data_2n4u_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 2n4u _Structure_validation_residue.Date_analyzed 2016-10-08 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 ' 434' ' ' GLU . . . . . 0.721 ' HB2' ' HG2' ' A' ' 451' ' ' ARG . 10.0 pt-20 . . . . . 0 CA--C 1.51 -0.572 0 CA-C-O 121.015 0.435 . . . . 15.0 111.068 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.52 ' HA ' ' HB2' ' A' ' 449' ' ' ASN . 31.2 m95 -89.63 139.84 30.15 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.668 -0.696 . . . . 15.0 109.368 -176.596 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 436' ' ' THR . . . . . 0.722 ' HB ' ' O ' ' A' ' 448' ' ' TYR . 1.1 m -120.58 140.26 51.78 Favored 'General case' 0 N--CA 1.413 -2.312 0 C-N-CA 119.382 -0.927 . . . . 15.0 109.315 -178.233 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -108.29 130.92 55.16 Favored 'General case' 0 C--N 1.309 -1.165 0 C-N-CA 119.835 -0.746 . . . . 15.0 111.101 173.778 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -122.97 150.06 43.47 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.978 -0.556 . . . . 15.0 110.132 177.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 0.954 ' HE3' ' HA2' ' A' ' 443' ' ' GLY . 31.4 tttp -121.93 142.18 50.55 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 116.079 -0.51 . . . . 15.0 109.84 176.256 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 440' ' ' THR . . . . . 0.685 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 3.0 p -98.8 147.36 24.99 Favored 'General case' 0 N--CA 1.435 -1.193 0 N-CA-C 105.3 -2.111 . . . . 15.0 105.3 164.234 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -69.56 0.04 5.96 Favored 'General case' 0 C--N 1.317 -0.814 0 C-N-CA 120.008 -0.677 . . . . 15.0 112.286 -166.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . 0.46 ' CG ' ' HZ1' ' A' ' 444' ' ' LYS . 2.9 p-10 -83.4 0.43 46.09 Favored 'General case' 0 C--N 1.333 -0.128 0 N-CA-C 108.903 -0.777 . . . . 15.0 108.903 171.348 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . 0.954 ' HA2' ' HE3' ' A' ' 439' ' ' LYS . . . 90.05 30.07 13.65 Favored Glycine 0 N--CA 1.439 -1.117 0 CA-C-N 114.888 -1.051 . . . . 15.0 112.544 174.394 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.685 ' HB2' ' OG1' ' A' ' 440' ' ' THR . 29.5 mtmm -96.34 107.19 19.53 Favored 'General case' 0 CA--C 1.498 -1.026 0 CA-C-O 120.956 0.408 . . . . 15.0 110.79 173.71 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 1.8 m -100.47 89.27 3.89 Favored 'General case' 0 C--N 1.309 -1.157 0 N-CA-C 108.673 -0.862 . . . . 15.0 108.673 176.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . 0.602 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 10.8 p90 -98.5 149.19 22.98 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.44 -0.8 . . . . 15.0 110.637 176.014 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -97.55 116.11 29.14 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.795 0.807 . . . . 15.0 111.744 -175.085 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . 0.895 ' HA ' ' O ' ' A' ' 454' ' ' TYR . 71.4 t80 -112.34 111.21 21.91 Favored 'General case' 0 N--CA 1.44 -0.927 0 CA-C-N 114.346 -1.297 . . . . 15.0 108.572 173.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 1.098 ' HB3' ' HD1' ' A' ' 454' ' ' TYR . 1.3 t-20 -89.62 146.66 24.39 Favored 'General case' 0 CA--C 1.493 -1.248 0 O-C-N 122.03 -0.419 . . . . 15.0 110.093 -177.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -110.02 2.12 19.41 Favored 'General case' 0 N--CA 1.441 -0.88 0 N-CA-C 113.298 0.851 . . . . 15.0 113.298 -158.206 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . 0.721 ' HG2' ' HB2' ' A' ' 434' ' ' GLU . 3.8 ptm180 -105.64 -25.72 12.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.144 0.497 . . . . 15.0 110.636 173.483 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 452' ' ' THR . . . . . 0.668 ' HB ' ' CE1' ' A' ' 454' ' ' TYR . 4.1 m -125.44 -10.3 6.89 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.748 -0.66 . . . . 15.0 109.926 -178.821 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . 0.927 ' HA ' ' O ' ' A' ' 449' ' ' ASN 0.262 2.5 pp 53.45 93.1 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 123.446 1.593 . . . . 15.0 113.804 177.514 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 454' ' ' TYR . . . . . 1.098 ' HD1' ' HB3' ' A' ' 449' ' ' ASN . 50.7 m-85 -115.55 133.78 55.7 Favored 'General case' 0 CA--C 1.509 -0.604 0 CA-C-N 112.392 -2.185 . . . . 15.0 108.973 -178.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 13.2 p -107.26 101.08 10.49 Favored 'General case' 0 C--N 1.314 -0.936 0 C-N-CA 119.717 -0.793 . . . . 15.0 109.366 164.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 9.8 t -130.85 126.49 36.36 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-O 121.899 0.857 . . . . 15.0 111.485 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.677 ' CZ3' ' HD2' ' A' ' 444' ' ' LYS . 47.0 m95 -82.92 -0.14 47.04 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 114.725 -1.125 . . . . 15.0 109.995 174.019 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -101.97 144.91 29.99 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.665 -0.698 . . . . 15.0 110.26 -177.608 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 30.3 tttm -89.05 112.46 51.09 Favored Pre-proline 0 C--N 1.322 -0.625 0 CA-C-N 115.857 -0.611 . . . . 15.0 109.526 -176.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 31.0 Cg_endo . . . . . 0 C--O 1.225 -0.145 0 C-N-CA 123.246 2.631 . . . . 15.0 111.817 -174.242 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 434' ' ' GLU . . . . . 0.663 ' HB2' ' HG2' ' A' ' 451' ' ' ARG . 13.2 pt-20 . . . . . 0 CA--C 1.514 -0.421 0 CA-C-O 120.933 0.397 . . . . 15.0 111.285 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.44 ' CD1' ' HG3' ' A' ' 434' ' ' GLU . 35.5 m95 -89.78 139.78 30.24 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 116.079 -0.509 . . . . 15.0 110.004 -174.326 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 436' ' ' THR . . . . . 0.645 ' HB ' ' O ' ' A' ' 448' ' ' TYR . 1.1 m -123.83 143.41 50.35 Favored 'General case' 0 N--CA 1.417 -2.088 0 C-N-CA 119.771 -0.772 . . . . 15.0 109.67 -178.834 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -111.5 131.21 55.39 Favored 'General case' 0 C--N 1.31 -1.116 0 CA-C-O 121.495 0.664 . . . . 15.0 110.697 173.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -129.57 150.3 50.96 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.331 -0.849 . . . . 15.0 110.622 -178.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 0.501 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 55.6 tttt -124.51 137.57 54.41 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 115.314 -0.857 . . . . 15.0 109.606 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 440' ' ' THR . . . . . 0.728 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 2.2 p -90.3 149.39 22.36 Favored 'General case' 0 N--CA 1.437 -1.123 0 N-CA-C 105.228 -2.138 . . . . 15.0 105.228 164.121 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -69.07 -2.45 10.13 Favored 'General case' 0 C--N 1.312 -1.056 0 C-N-CA 120.1 -0.64 . . . . 15.0 112.193 -168.211 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -84.29 -1.8 55.93 Favored 'General case' 0 CA--C 1.528 0.113 0 N-CA-C 109.01 -0.737 . . . . 15.0 109.01 172.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . 0.48 ' HA2' ' HE2' ' A' ' 439' ' ' LYS . . . 90.81 25.16 25.79 Favored Glycine 0 N--CA 1.441 -0.993 0 CA-C-N 114.639 -1.164 . . . . 15.0 113.25 173.323 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.728 ' HB2' ' OG1' ' A' ' 440' ' ' THR . 40.6 mttp -84.3 104.62 14.48 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 109.854 -0.424 . . . . 15.0 109.854 168.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 7.2 m -95.94 89.22 5.15 Favored 'General case' 0 N--CA 1.437 -1.107 0 C-N-CA 119.224 -0.99 . . . . 15.0 108.824 173.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . 0.568 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 27.2 p90 -94.41 150.01 20.68 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.439 -0.8 . . . . 15.0 110.171 172.796 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 79.3 m-85 -100.73 108.09 19.84 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.692 0.758 . . . . 15.0 111.371 -175.053 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . 0.85 ' HA ' ' O ' ' A' ' 454' ' ' TYR . 38.5 t80 -102.82 112.98 26.03 Favored 'General case' 0 C--O 1.212 -0.917 0 CA-C-N 114.306 -1.315 . . . . 15.0 109.234 178.332 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 1.028 ' HB3' ' CD1' ' A' ' 454' ' ' TYR . 1.3 t-20 -89.89 148.01 23.41 Favored 'General case' 0 CA--C 1.493 -1.219 0 O-C-N 121.941 -0.474 . . . . 15.0 110.078 -179.575 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -110.89 -1.11 16.6 Favored 'General case' 0 N--CA 1.444 -0.74 0 N-CA-C 113.621 0.971 . . . . 15.0 113.621 -157.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . 0.663 ' HG2' ' HB2' ' A' ' 434' ' ' GLU . 3.6 ptm180 -101.61 -32.28 10.43 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.194 -0.603 . . . . 15.0 110.397 172.638 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 452' ' ' THR . . . . . 0.687 ' HB ' ' CE1' ' A' ' 454' ' ' TYR . 10.1 m -118.23 -10.85 10.18 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.881 -0.6 . . . . 15.0 110.308 -178.521 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . 0.969 ' HA ' ' O ' ' A' ' 449' ' ' ASN . 0.3 OUTLIER 53.91 96.83 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 122.96 1.362 . . . . 15.0 113.546 178.25 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 454' ' ' TYR . . . . . 1.028 ' CD1' ' HB3' ' A' ' 449' ' ' ASN . 36.0 m-85 -116.83 143.86 45.18 Favored 'General case' 0 CA--C 1.51 -0.589 0 CA-C-N 112.764 -2.016 . . . . 15.0 108.831 -179.697 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 3.8 p -119.29 94.65 4.5 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-O 121.232 0.539 . . . . 15.0 109.904 165.288 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 4.1 t -117.75 125.37 50.51 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.48 0.657 . . . . 15.0 110.647 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.568 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 63.4 m95 -82.65 -8.22 59.61 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.95 -1.023 . . . . 15.0 110.399 178.401 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -104.69 133.03 50.21 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.44 -0.948 . . . . 15.0 108.44 177.039 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 19.9 ttmm -56.56 120.72 38.64 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 123.504 0.503 . . . . 15.0 110.007 -179.055 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_endo . . . . . 0 N--CA 1.462 -0.377 0 C-N-CA 122.19 1.926 . . . . 15.0 111.033 -174.367 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 434' ' ' GLU . . . . . 0.528 ' HB2' ' HG2' ' A' ' 451' ' ' ARG . 2.0 pm0 . . . . . 0 CA--C 1.513 -0.464 0 CA-C-O 120.957 0.408 . . . . 15.0 111.303 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.44 ' HA ' ' HB2' ' A' ' 449' ' ' ASN . 35.0 m95 -89.62 150.09 22.53 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 115.961 -0.563 . . . . 15.0 110.053 -172.704 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 436' ' ' THR . . . . . 0.557 ' HB ' ' O ' ' A' ' 448' ' ' TYR . 1.1 m -132.62 144.33 50.29 Favored 'General case' 0 N--CA 1.418 -2.065 0 C-N-CA 119.814 -0.755 . . . . 15.0 110.035 178.122 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . 0.424 ' O ' ' HG2' ' A' ' 437' ' ' GLU . 1.3 pm0 -110.28 126.6 54.36 Favored 'General case' 0 C--N 1.312 -1.031 0 CA-C-O 121.649 0.738 . . . . 15.0 110.691 170.605 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -119.56 150.3 40.5 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.492 -0.776 . . . . 15.0 110.225 179.269 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 0.489 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 2.2 mppt? -119.14 145.44 45.96 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 122.044 0.926 . . . . 15.0 112.086 179.701 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 440' ' ' THR . . . . . 0.459 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 67.3 p -89.81 150.93 22.04 Favored 'General case' 0 C--N 1.309 -1.185 0 CA-C-N 113.586 -1.643 . . . . 15.0 107.324 168.075 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -47.07 -26.88 1.17 Allowed 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 112.936 0.717 . . . . 15.0 112.936 178.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -88.4 -0.69 57.46 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-O 121.101 0.477 . . . . 15.0 111.474 178.178 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.01 30.32 13.11 Favored Glycine 0 CA--C 1.502 -0.779 0 CA-C-N 116.099 -0.5 . . . . 15.0 112.919 170.35 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.489 ' O ' ' HA ' ' A' ' 439' ' ' LYS . 64.9 mttm -71.72 103.17 2.99 Favored 'General case' 0 CA--C 1.502 -0.873 0 N-CA-C 109.117 -0.697 . . . . 15.0 109.117 168.057 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 13.2 m -89.88 89.31 7.68 Favored 'General case' 0 N--CA 1.431 -1.404 0 C-N-CA 119.245 -0.982 . . . . 15.0 108.526 173.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . 0.561 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 7.5 p90 -102.6 143.76 31.87 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.688 -0.687 . . . . 15.0 110.078 172.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -92.62 99.91 12.53 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 121.83 0.824 . . . . 15.0 111.528 -174.083 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . 0.783 ' HA ' ' O ' ' A' ' 454' ' ' TYR . 43.4 t80 -96.69 111.97 23.91 Favored 'General case' 0 N--CA 1.443 -0.81 0 CA-C-N 114.439 -1.255 . . . . 15.0 108.829 174.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.969 ' HB3' ' CD1' ' A' ' 454' ' ' TYR . 1.6 t-20 -89.72 145.98 24.83 Favored 'General case' 0 CA--C 1.491 -1.302 0 O-C-N 121.825 -0.547 . . . . 15.0 110.292 -179.364 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -109.97 -1.31 17.75 Favored 'General case' 0 N--CA 1.444 -0.759 0 N-CA-C 113.135 0.791 . . . . 15.0 113.135 -159.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . 0.535 ' HG3' ' N ' ' A' ' 452' ' ' THR . 7.9 ptt180 -91.52 -34.56 14.73 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.532 0.682 . . . . 15.0 109.837 172.689 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 452' ' ' THR . . . . . 0.752 ' HB ' ' CE1' ' A' ' 454' ' ' TYR . 26.4 m -126.26 -11.35 6.37 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.067 -0.97 . . . . 15.0 110.144 -172.522 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . 0.919 ' HA ' ' O ' ' A' ' 449' ' ' ASN 0.256 0.3 OUTLIER 56.61 92.91 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 122.734 1.254 . . . . 15.0 113.059 178.218 . . . . . . . . 4 4 . 1 . 003 nuclear orig core ' A' A ' 454' ' ' TYR . . . . . 0.969 ' CD1' ' HB3' ' A' ' 449' ' ' ASN . 22.0 m-85 -113.3 134.24 54.71 Favored 'General case' 0 CA--C 1.512 -0.493 0 CA-C-N 112.803 -1.999 . . . . 15.0 108.905 -179.059 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 3.4 p -105.97 98.71 8.36 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.682 -0.488 . . . . 15.0 109.682 167.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 4.5 t -130.2 124.78 33.36 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.671 0.748 . . . . 15.0 111.02 179.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.561 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 29.4 m95 -86.9 -5.88 58.96 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 114.976 -1.011 . . . . 15.0 109.296 175.047 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -92.27 136.56 33.1 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.008 -0.996 . . . . 15.0 109.453 175.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 56.3 tttt -77.96 118.95 75.37 Favored Pre-proline 0 C--N 1.321 -0.632 0 N-CA-C 109.326 -0.62 . . . . 15.0 109.326 -179.261 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_endo . . . . . 0 N--CA 1.461 -0.427 0 C-N-CA 122.208 1.939 . . . . 15.0 111.87 -173.485 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 434' ' ' GLU . . . . . 0.471 ' HG3' ' CD1' ' A' ' 435' ' ' TRP . 6.9 pt-20 . . . . . 0 CA--C 1.517 -0.31 0 CA-C-O 120.925 0.393 . . . . 15.0 111.388 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.501 ' HA ' ' HB2' ' A' ' 449' ' ' ASN . 43.8 m95 -89.56 147.43 23.95 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.976 -0.556 . . . . 15.0 110.406 -170.724 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 436' ' ' THR . . . . . 0.67 ' HB ' ' O ' ' A' ' 448' ' ' TYR . 1.1 m -124.77 140.5 52.87 Favored 'General case' 0 N--CA 1.42 -1.93 0 N-CA-C 108.804 -0.813 . . . . 15.0 108.804 179.794 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -110.45 132.17 54.41 Favored 'General case' 0 C--N 1.309 -1.166 0 C-N-CA 119.935 -0.706 . . . . 15.0 110.864 176.749 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -123.94 150.29 44.92 Favored 'General case' 0 CA--C 1.512 -0.506 0 CA-C-N 115.558 -0.747 . . . . 15.0 110.481 178.124 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 0.636 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 0.0 OUTLIER -120.51 145.81 46.92 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 115.229 -0.896 . . . . 15.0 110.905 172.704 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 440' ' ' THR . . . . . 0.423 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 63.9 p -89.79 150.98 22.03 Favored 'General case' 0 C--N 1.307 -1.266 0 N-CA-C 107.061 -1.459 . . . . 15.0 107.061 167.14 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -45.13 -33.03 2.02 Favored 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 112.413 0.523 . . . . 15.0 112.413 178.02 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -81.34 -0.6 41.85 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-O 120.934 0.397 . . . . 15.0 111.669 179.067 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.32 30.33 12.54 Favored Glycine 0 CA--C 1.503 -0.668 0 CA-C-N 116.366 -0.379 . . . . 15.0 113.004 170.438 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.636 ' O ' ' HA ' ' A' ' 439' ' ' LYS . 48.0 mttm -73.99 108.33 6.74 Favored 'General case' 0 CA--C 1.503 -0.859 0 N-CA-C 109.487 -0.56 . . . . 15.0 109.487 169.523 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 18.7 m -93.57 89.37 6.23 Favored 'General case' 0 N--CA 1.435 -1.187 0 C-N-CA 119.213 -0.995 . . . . 15.0 108.782 174.088 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . 0.526 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 26.8 p90 -104.7 147.76 27.32 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.611 -0.722 . . . . 15.0 110.071 172.715 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -102.14 112.86 25.68 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-O 121.625 0.726 . . . . 15.0 111.518 -174.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . 0.744 ' HA ' ' O ' ' A' ' 454' ' ' TYR . 63.2 t80 -108.39 112.68 25.23 Favored 'General case' 0 C--O 1.214 -0.812 0 CA-C-N 114.587 -1.188 . . . . 15.0 108.647 174.468 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 1.0 ' HB3' ' CD1' ' A' ' 454' ' ' TYR . 2.1 t-20 -90.01 149.66 22.45 Favored 'General case' 0 CA--C 1.495 -1.141 0 O-C-N 122.13 -0.356 . . . . 15.0 110.475 -177.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -113.4 -2.81 13.86 Favored 'General case' 0 N--CA 1.445 -0.702 0 O-C-N 124.231 0.957 . . . . 15.0 112.294 -160.466 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 26.1 ttp180 -93.82 -42.23 9.22 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.611 0.72 . . . . 15.0 109.918 173.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 452' ' ' THR . . . . . 0.43 ' O ' ' HG ' ' A' ' 453' ' ' LEU . 0.0 OUTLIER -116.8 -7.92 11.42 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 114.992 -1.004 . . . . 15.0 110.734 -176.403 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . 0.978 ' HA ' ' O ' ' A' ' 449' ' ' ASN 0.257 2.1 pp 52.36 100.12 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 123.122 1.439 . . . . 15.0 113.983 -179.567 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 454' ' ' TYR . . . . . 1.0 ' CD1' ' HB3' ' A' ' 449' ' ' ASN . 26.2 m-85 -121.54 148.67 44.18 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-N 112.857 -1.974 . . . . 15.0 108.77 -179.03 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 13.2 p -123.69 103.68 8.54 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 109.979 -0.378 . . . . 15.0 109.979 166.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 5.5 t -135.07 123.54 23.37 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.339 0.59 . . . . 15.0 111.215 -178.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.526 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 45.5 m95 -75.49 -16.77 60.26 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.451 -0.795 . . . . 15.0 110.18 173.801 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -84.72 139.42 32.01 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.463 -0.79 . . . . 15.0 109.917 176.315 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 24.5 tttm -71.88 121.32 84.23 Favored Pre-proline 0 C--N 1.323 -0.58 0 N-CA-C 109.214 -0.661 . . . . 15.0 109.214 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . 0.486 ' HG3' ' CZ3' ' A' ' 435' ' ' TRP . 82.0 Cg_exo . . . . . 0 C--N 1.344 0.322 0 C-N-CA 124.27 3.313 . . . . 15.0 113.994 -175.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 434' ' ' GLU . . . . . 0.465 ' HG3' ' CD1' ' A' ' 435' ' ' TRP . 9.5 pt-20 . . . . . 0 CA--C 1.519 -0.24 0 N-CA-C 112.146 0.424 . . . . 15.0 112.146 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.495 ' HA ' ' HB2' ' A' ' 449' ' ' ASN . 42.5 m95 -89.76 140.71 29.32 Favored 'General case' 0 C--N 1.319 -0.761 0 N-CA-C 109.7 -0.482 . . . . 15.0 109.7 -173.764 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 436' ' ' THR . . . . . 0.748 ' HB ' ' O ' ' A' ' 448' ' ' TYR . 1.1 m -119.27 139.49 51.83 Favored 'General case' 0 N--CA 1.416 -2.156 0 N-CA-C 108.334 -0.987 . . . . 15.0 108.334 -177.608 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -109.94 133.45 53.16 Favored 'General case' 0 C--N 1.311 -1.107 0 C-N-CA 119.668 -0.813 . . . . 15.0 111.695 178.567 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -126.08 150.31 48.26 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-N 115.777 -0.647 . . . . 15.0 110.746 178.202 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 0.619 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 0.0 OUTLIER -122.89 146.29 47.71 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 115.318 -0.855 . . . . 15.0 110.882 171.283 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 440' ' ' THR . . . . . 0.475 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 81.9 p -89.98 150.95 21.91 Favored 'General case' 0 C--N 1.308 -1.205 0 N-CA-C 107.429 -1.323 . . . . 15.0 107.429 166.655 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -47.86 -24.04 0.9 Allowed 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 112.802 0.667 . . . . 15.0 112.802 177.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -87.4 -1.01 57.62 Favored 'General case' 0 N--CA 1.468 0.439 0 O-C-N 121.992 -0.443 . . . . 15.0 111.598 177.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.52 29.88 13.09 Favored Glycine 0 CA--C 1.504 -0.61 0 CA-C-N 116.36 -0.382 . . . . 15.0 112.937 171.178 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.619 ' O ' ' HA ' ' A' ' 439' ' ' LYS . 63.3 mttp -75.74 104.64 6.38 Favored 'General case' 0 CA--C 1.505 -0.756 0 N-CA-C 109.916 -0.401 . . . . 15.0 109.916 169.304 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 23.9 m -90.03 89.41 7.69 Favored 'General case' 0 N--CA 1.438 -1.069 0 C-N-CA 119.224 -0.991 . . . . 15.0 108.769 173.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . 0.536 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 11.3 p90 -104.42 145.51 30.17 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.607 -0.724 . . . . 15.0 109.815 172.133 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -102.55 113.68 27.26 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-O 121.723 0.773 . . . . 15.0 111.522 -173.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . 0.883 ' HA ' ' O ' ' A' ' 454' ' ' TYR . 57.5 t80 -106.63 109.21 21.06 Favored 'General case' 0 C--O 1.209 -1.076 0 CA-C-N 114.438 -1.255 . . . . 15.0 108.842 176.626 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 1.026 ' HB3' ' CD1' ' A' ' 454' ' ' TYR . 1.5 t-20 -89.91 147.71 23.57 Favored 'General case' 0 CA--C 1.491 -1.313 0 O-C-N 121.839 -0.538 . . . . 15.0 110.881 -176.519 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -110.02 3.27 20.23 Favored 'General case' 0 N--CA 1.445 -0.676 0 N-CA-C 113.129 0.789 . . . . 15.0 113.129 -159.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . 0.439 ' HG3' ' OG1' ' A' ' 452' ' ' THR . 16.8 ptm180 -101.14 -30.63 11.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.281 0.562 . . . . 15.0 110.015 171.799 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 452' ' ' THR . . . . . 0.78 ' HB ' ' CE1' ' A' ' 454' ' ' TYR . 4.9 m -124.27 -9.11 7.56 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.384 -0.825 . . . . 15.0 110.344 -176.301 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . 0.909 ' HA ' ' O ' ' A' ' 449' ' ' ASN 0.254 0.2 OUTLIER 53.2 88.83 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 122.787 1.279 . . . . 15.0 113.155 177.998 . . . . . . . . 4 4 . 1 . 005 nuclear orig core ' A' A ' 454' ' ' TYR . . . . . 1.026 ' CD1' ' HB3' ' A' ' 449' ' ' ASN . 46.7 m-85 -109.9 138.06 46.8 Favored 'General case' 0 CA--C 1.507 -0.705 0 CA-C-N 112.686 -2.052 . . . . 15.0 109.168 -179.031 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 3.8 p -113.28 105.19 13.12 Favored 'General case' 0 C--N 1.314 -0.935 0 N-CA-C 109.36 -0.607 . . . . 15.0 109.36 164.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 9.1 t -137.55 124.77 21.71 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.308 0.575 . . . . 15.0 110.744 179.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.54 ' CZ3' ' HD3' ' A' ' 444' ' ' LYS . 36.6 m95 -74.4 -6.48 48.45 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.623 -0.717 . . . . 15.0 110.994 175.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -101.23 143.64 31.06 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.999 0.428 . . . . 15.0 110.677 -176.159 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 33.7 ttmt -82.79 118.6 72.33 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 115.792 -0.64 . . . . 15.0 110.261 179.508 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo . . . . . 0 C--O 1.235 0.338 0 C-N-CA 122.891 2.394 . . . . 15.0 112.735 -177.979 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 434' ' ' GLU . . . . . 0.503 ' HB2' ' HG2' ' A' ' 451' ' ' ARG . 1.2 pm0 . . . . . 0 CA--C 1.512 -0.482 0 CA-C-O 120.88 0.371 . . . . 15.0 111.705 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.475 ' HA ' ' HB2' ' A' ' 449' ' ' ASN . 45.0 m95 -89.46 138.96 31.0 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 116.208 -0.451 . . . . 15.0 109.877 -173.251 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 436' ' ' THR . . . . . 0.778 ' HB ' ' O ' ' A' ' 448' ' ' TYR . 1.1 m -118.26 131.51 56.35 Favored 'General case' 0 N--CA 1.415 -2.202 0 N-CA-C 108.435 -0.95 . . . . 15.0 108.435 -176.728 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.17 130.15 50.28 Favored 'General case' 0 C--N 1.309 -1.156 0 C-N-CA 118.975 -1.09 . . . . 15.0 111.223 177.236 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -122.77 150.11 43.23 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.666 -0.697 . . . . 15.0 110.882 178.096 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 0.739 ' HB2' ' HZ2' ' A' ' 439' ' ' LYS . 0.1 OUTLIER -125.8 145.88 50.03 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.418 -0.81 . . . . 15.0 110.74 173.021 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 440' ' ' THR . . . . . 0.53 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 65.6 p -89.67 150.78 22.2 Favored 'General case' 0 C--N 1.31 -1.135 0 N-CA-C 107.093 -1.447 . . . . 15.0 107.093 167.264 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -46.64 -24.9 0.61 Allowed 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 113.183 0.809 . . . . 15.0 113.183 -179.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . 0.503 ' OD2' ' HG3' ' A' ' 444' ' ' LYS . 7.1 p-10 -85.98 -2.02 57.89 Favored 'General case' 0 N--CA 1.47 0.531 0 O-C-N 122.031 -0.418 . . . . 15.0 111.393 178.012 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.08 30.36 12.89 Favored Glycine 0 CA--C 1.505 -0.583 0 CA-C-N 115.981 -0.554 . . . . 15.0 113.132 171.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.604 ' O ' ' HA ' ' A' ' 439' ' ' LYS . 51.9 mttp -73.46 107.48 5.77 Favored 'General case' 0 CA--C 1.504 -0.794 0 N-CA-C 109.93 -0.396 . . . . 15.0 109.93 169.546 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 445' ' ' THR . . . . . 0.563 HG21 ' HD2' ' A' ' 439' ' ' LYS . 14.0 m -92.47 89.4 6.75 Favored 'General case' 0 N--CA 1.435 -1.203 0 C-N-CA 119.338 -0.945 . . . . 15.0 109.29 176.15 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . 0.607 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 5.4 p90 -105.81 144.05 33.1 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.424 -0.807 . . . . 15.0 110.562 171.691 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -99.26 117.91 34.76 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-O 121.6 0.714 . . . . 15.0 111.405 -175.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . 0.825 ' HA ' ' O ' ' A' ' 454' ' ' TYR . 47.3 t80 -112.75 108.9 18.09 Favored 'General case' 0 C--O 1.209 -1.048 0 CA-C-N 114.539 -1.21 . . . . 15.0 108.502 175.203 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 1.021 ' HB3' ' CD1' ' A' ' 454' ' ' TYR . 2.2 t-20 -90.07 144.93 25.46 Favored 'General case' 0 C--O 1.203 -1.374 0 O-C-N 121.69 -0.631 . . . . 15.0 111.361 -176.636 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -107.11 2.55 24.98 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 115.317 -0.856 . . . . 15.0 113.107 -162.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . 0.556 ' HG3' ' OG1' ' A' ' 452' ' ' THR . 10.8 ptt180 -93.47 -25.96 17.4 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 121.467 0.651 . . . . 15.0 109.77 172.568 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 452' ' ' THR . . . . . 0.759 ' HB ' ' CE1' ' A' ' 454' ' ' TYR . 16.1 m -136.67 -12.76 1.75 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.137 -0.938 . . . . 15.0 110.585 -171.684 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . 0.876 ' HA ' ' O ' ' A' ' 449' ' ' ASN 0.267 0.3 OUTLIER 57.18 86.0 0.08 Allowed 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 122.886 1.326 . . . . 15.0 112.764 179.846 . . . . . . . . 4 4 . 1 . 006 nuclear orig core ' A' A ' 454' ' ' TYR . . . . . 1.021 ' CD1' ' HB3' ' A' ' 449' ' ' ASN . 32.4 m-85 -106.56 146.34 30.77 Favored 'General case' 0 CA--C 1.511 -0.519 0 CA-C-N 112.635 -2.075 . . . . 15.0 108.586 178.36 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 5.7 p -122.34 96.74 5.16 Favored 'General case' 0 C--N 1.319 -0.739 0 C-N-CA 120.535 -0.466 . . . . 15.0 109.876 166.048 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 4.2 t -123.6 123.79 41.36 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.548 0.69 . . . . 15.0 110.93 -178.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.607 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 51.8 m95 -82.91 -0.16 47.11 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.197 -0.91 . . . . 15.0 110.175 175.498 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -108.98 142.4 39.7 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.865 -0.607 . . . . 15.0 109.962 179.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 23.4 ttmm -74.06 121.59 85.55 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.469 -0.332 . . . . 15.0 110.597 -178.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_endo . . . . . 0 C--O 1.235 0.347 0 C-N-CA 122.866 2.377 . . . . 15.0 112.655 -179.436 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 434' ' ' GLU . . . . . 0.412 ' CB ' ' HD3' ' A' ' 451' ' ' ARG . 1.5 pm0 . . . . . 0 CA--C 1.512 -0.496 0 CA-C-O 121.091 0.472 . . . . 15.0 110.48 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.499 ' HA ' ' HB2' ' A' ' 449' ' ' ASN . 43.7 m95 -89.55 138.54 31.37 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.491 -0.777 . . . . 15.0 109.586 -175.162 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 436' ' ' THR . . . . . 0.725 ' HB ' ' O ' ' A' ' 448' ' ' TYR . 1.1 m -120.3 139.48 52.66 Favored 'General case' 0 N--CA 1.417 -2.116 0 C-N-CA 119.432 -0.907 . . . . 15.0 108.931 -177.435 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -110.44 133.79 52.94 Favored 'General case' 0 C--N 1.306 -1.308 0 CA-C-O 121.522 0.677 . . . . 15.0 110.692 176.232 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -129.08 150.14 50.6 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.439 -0.8 . . . . 15.0 110.1 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 0.549 ' HE3' ' OG1' ' A' ' 445' ' ' THR . 3.6 mptt -120.98 150.1 41.64 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-O 122.37 1.081 . . . . 15.0 112.065 174.671 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 440' ' ' THR . . . . . 0.626 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 1.6 p -106.05 150.23 25.95 Favored 'General case' 0 C--N 1.301 -1.513 0 CA-C-N 113.159 -1.837 . . . . 15.0 107.847 167.298 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -57.08 -12.55 2.21 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 113.159 0.8 . . . . 15.0 113.159 -172.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 21.0 p30 -86.57 -0.26 55.78 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.903 0.382 . . . . 15.0 111.107 177.176 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.05 30.24 13.24 Favored Glycine 0 CA--C 1.507 -0.407 0 CA-C-N 115.945 -0.571 . . . . 15.0 112.71 171.265 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.626 ' HB2' ' OG1' ' A' ' 440' ' ' THR . 62.5 mttt -90.73 113.57 25.7 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.4 -0.4 . . . . 15.0 110.521 174.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 445' ' ' THR . . . . . 0.549 ' OG1' ' HE3' ' A' ' 439' ' ' LYS . 4.4 m -96.85 89.57 4.93 Favored 'General case' 0 N--CA 1.437 -1.078 0 C-N-CA 119.619 -0.833 . . . . 15.0 108.863 171.618 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . 0.615 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 21.7 p90 -99.41 144.85 28.05 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 116.052 -0.522 . . . . 15.0 110.191 173.52 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 59.7 m-85 -98.38 114.25 26.52 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.506 0.67 . . . . 15.0 111.838 -173.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . 0.859 ' HA ' ' O ' ' A' ' 454' ' ' TYR . 71.7 t80 -108.25 108.96 20.19 Favored 'General case' 0 C--O 1.211 -0.951 0 CA-C-N 114.464 -1.244 . . . . 15.0 108.482 174.205 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.963 ' HB3' ' CD1' ' A' ' 454' ' ' TYR . 1.6 t-20 -89.7 143.01 27.15 Favored 'General case' 0 CA--C 1.49 -1.362 0 O-C-N 121.837 -0.539 . . . . 15.0 110.705 -177.014 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -105.96 0.71 25.98 Favored 'General case' 0 N--CA 1.442 -0.846 0 CA-C-N 114.899 -1.046 . . . . 15.0 113.134 -162.597 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . 0.498 ' HG2' ' OD1' ' A' ' 449' ' ' ASN . 27.2 ptt180 -92.19 -20.49 21.15 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 121.413 0.625 . . . . 15.0 110.111 174.585 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 452' ' ' THR . . . . . 0.662 ' HB ' ' CE1' ' A' ' 454' ' ' TYR . 57.9 m -148.26 -9.94 0.38 Allowed 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.394 -0.821 . . . . 15.0 110.569 -171.026 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . 0.89 ' HA ' ' O ' ' A' ' 449' ' ' ASN 0.286 3.2 pp 60.01 94.8 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 123.327 1.537 . . . . 15.0 113.417 175.001 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 454' ' ' TYR . . . . . 0.963 ' CD1' ' HB3' ' A' ' 449' ' ' ASN . 18.2 m-85 -118.55 146.09 44.85 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 112.298 -2.228 . . . . 15.0 108.218 -178.772 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 3.4 p -123.77 94.38 4.22 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-O 121.17 0.51 . . . . 15.0 110.208 167.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 3.0 t -122.25 123.07 40.59 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.651 -0.704 . . . . 15.0 110.556 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.615 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 40.7 m95 -80.8 -8.4 59.68 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.491 -0.777 . . . . 15.0 109.857 177.12 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -97.06 141.36 30.3 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.516 -0.765 . . . . 15.0 110.178 179.382 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 38.2 tttt -72.89 120.15 79.32 Favored Pre-proline 0 C--N 1.322 -0.61 0 CA-C-N 115.42 -0.809 . . . . 15.0 110.353 -177.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo . . . . . 0 N--CA 1.461 -0.394 0 C-N-CA 122.896 2.398 . . . . 15.0 112.053 -177.503 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 434' ' ' GLU . . . . . 0.466 ' HG3' ' CD1' ' A' ' 435' ' ' TRP . 8.7 pt-20 . . . . . 0 CA--C 1.51 -0.589 0 CA-C-O 121.084 0.469 . . . . 15.0 110.769 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.491 ' HA ' ' HB2' ' A' ' 449' ' ' ASN . 45.1 m95 -89.51 141.14 28.85 Favored 'General case' 0 N--CA 1.44 -0.963 0 CA-C-N 115.575 -0.738 . . . . 15.0 109.35 -174.558 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 436' ' ' THR . . . . . 0.659 ' HB ' ' O ' ' A' ' 448' ' ' TYR . 1.1 m -123.35 142.67 50.72 Favored 'General case' 0 N--CA 1.412 -2.343 0 C-N-CA 119.522 -0.871 . . . . 15.0 109.378 -178.551 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 3.5 pm0 -113.32 130.33 56.3 Favored 'General case' 0 C--N 1.309 -1.19 0 CA-C-O 121.634 0.73 . . . . 15.0 111.09 173.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -125.53 150.24 47.6 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.338 -0.846 . . . . 15.0 110.11 177.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 0.564 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 11.8 mptt -118.59 150.1 40.24 Favored 'General case' 0 CA--C 1.503 -0.851 0 CA-C-O 121.963 0.887 . . . . 15.0 111.704 174.737 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 440' ' ' THR . . . . . 0.47 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 66.3 p -91.47 150.76 21.08 Favored 'General case' 0 C--N 1.304 -1.409 0 CA-C-N 113.507 -1.679 . . . . 15.0 107.769 169.315 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -44.61 -30.42 0.91 Allowed 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 112.581 0.586 . . . . 15.0 112.581 175.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -86.16 0.6 53.23 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-O 120.772 0.32 . . . . 15.0 111.579 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.6 29.87 12.94 Favored Glycine 0 CA--C 1.508 -0.384 0 CA-C-N 116.368 -0.378 . . . . 15.0 113.137 169.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.564 ' O ' ' HA ' ' A' ' 439' ' ' LYS . 57.6 mttp -75.97 108.98 9.23 Favored 'General case' 0 CA--C 1.508 -0.661 0 N-CA-C 110.261 -0.274 . . . . 15.0 110.261 172.214 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 31.9 m -91.76 89.53 7.13 Favored 'General case' 0 N--CA 1.438 -1.035 0 C-N-CA 119.538 -0.865 . . . . 15.0 109.096 174.03 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . 0.58 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 20.3 p90 -106.04 146.05 30.62 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.594 -0.73 . . . . 15.0 110.081 173.229 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -99.58 110.66 23.08 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.849 0.833 . . . . 15.0 111.231 -175.105 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . 0.863 ' HA ' ' O ' ' A' ' 454' ' ' TYR . 56.5 t80 -108.23 110.23 21.79 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 114.106 -1.407 . . . . 15.0 108.839 177.147 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.966 ' HB3' ' CD1' ' A' ' 454' ' ' TYR . 1.4 t-20 -89.71 147.4 23.88 Favored 'General case' 0 CA--C 1.494 -1.194 0 O-C-N 122.057 -0.402 . . . . 15.0 110.596 -177.07 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -112.34 6.43 18.79 Favored 'General case' 0 N--CA 1.447 -0.62 0 O-C-N 123.91 0.756 . . . . 15.0 112.853 -159.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . 0.416 ' HG2' ' OD1' ' A' ' 449' ' ' ASN . 12.3 ptm180 -100.54 -26.77 13.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.561 0.696 . . . . 15.0 109.822 171.7 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 452' ' ' THR . . . . . 0.686 ' HB ' ' CE1' ' A' ' 454' ' ' TYR . 39.2 m -136.04 -7.0 2.09 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.089 -0.959 . . . . 15.0 110.347 -173.332 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . 0.912 ' HA ' ' O ' ' A' ' 449' ' ' ASN 0.252 0.3 OUTLIER 54.79 92.11 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 122.96 1.362 . . . . 15.0 113.216 174.534 . . . . . . . . 4 4 . 1 . 008 nuclear orig core ' A' A ' 454' ' ' TYR . . . . . 0.966 ' CD1' ' HB3' ' A' ' 449' ' ' ASN . 32.1 m-85 -113.61 142.18 46.29 Favored 'General case' 0 CA--C 1.508 -0.635 0 CA-C-N 112.538 -2.119 . . . . 15.0 108.8 -178.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 4.4 p -118.25 90.65 3.38 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 121.42 0.629 . . . . 15.0 110.227 168.158 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 3.5 t -117.84 123.16 45.23 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.345 -0.843 . . . . 15.0 110.691 -178.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.58 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 55.0 m95 -81.79 0.22 40.24 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 114.921 -1.036 . . . . 15.0 111.184 179.36 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -120.8 141.02 50.91 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.943 -0.571 . . . . 15.0 110.517 179.323 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 4.0 ttmp? -75.84 121.86 85.87 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.126 -0.488 . . . . 15.0 111.813 -176.017 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo . . . . . 0 CA--C 1.53 0.32 0 C-N-CA 122.733 2.288 . . . . 15.0 111.296 172.271 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 434' ' ' GLU . . . . . 0.458 ' HG3' ' CD1' ' A' ' 435' ' ' TRP . 7.7 pt-20 . . . . . 0 N--CA 1.452 -0.357 0 CA-C-O 120.869 0.366 . . . . 15.0 111.45 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.551 ' HA ' ' HB2' ' A' ' 449' ' ' ASN . 47.4 m95 -89.55 145.71 25.09 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.211 -0.449 . . . . 15.0 110.057 -172.17 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 436' ' ' THR . . . . . 0.527 ' HB ' ' O ' ' A' ' 448' ' ' TYR . 1.1 m -127.6 123.76 36.47 Favored 'General case' 0 N--CA 1.415 -2.218 0 C-N-CA 119.731 -0.788 . . . . 15.0 109.283 -178.001 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . 0.468 ' HB3' ' CD1' ' A' ' 447' ' ' TYR . 0.5 OUTLIER -101.06 128.99 46.87 Favored 'General case' 0 C--N 1.304 -1.399 0 C-N-CA 118.355 -1.338 . . . . 15.0 111.088 176.678 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 47.6 m-85 -111.67 150.03 30.73 Favored 'General case' 0 C--N 1.31 -1.14 0 CA-C-N 114.632 -1.167 . . . . 15.0 109.371 179.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 0.597 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 0.0 OUTLIER -118.51 144.58 45.94 Favored 'General case' 0 CA--C 1.498 -1.053 0 CA-C-O 122.107 0.956 . . . . 15.0 112.279 176.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 440' ' ' THR . . . . . 0.517 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 70.1 p -92.32 150.49 20.82 Favored 'General case' 0 C--N 1.301 -1.528 0 CA-C-N 113.537 -1.665 . . . . 15.0 107.653 169.303 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -57.14 -15.69 6.12 Favored 'General case' 0 C--N 1.314 -0.962 0 N-CA-C 112.463 0.542 . . . . 15.0 112.463 -179.19 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . 0.423 ' CG ' ' HZ1' ' A' ' 444' ' ' LYS . 5.4 p-10 -93.58 3.68 55.13 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 121.132 0.491 . . . . 15.0 111.166 176.47 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.73 29.77 12.84 Favored Glycine 0 N--CA 1.449 -0.497 0 CA-C-N 115.98 -0.554 . . . . 15.0 113.227 170.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.597 ' O ' ' HA ' ' A' ' 439' ' ' LYS . 53.2 mttp -81.66 111.55 18.04 Favored 'General case' 0 CA--C 1.507 -0.694 0 N-CA-C 110.089 -0.337 . . . . 15.0 110.089 170.045 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 26.4 m -99.25 89.47 4.23 Favored 'General case' 0 N--CA 1.439 -0.976 0 C-N-CA 119.63 -0.828 . . . . 15.0 108.893 171.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . 0.529 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 18.1 p90 -102.08 150.02 23.67 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.425 -0.807 . . . . 15.0 110.138 175.495 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . 0.588 ' CD2' ' HD3' ' A' ' 460' ' ' PRO . 87.5 m-85 -103.42 109.13 20.65 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-O 122.098 0.951 . . . . 15.0 112.255 -171.565 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . 0.781 ' HA ' ' O ' ' A' ' 454' ' ' TYR . 37.4 t80 -109.83 111.09 22.3 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 113.833 -1.53 . . . . 15.0 108.537 173.155 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 1.033 ' HB3' ' HD1' ' A' ' 454' ' ' TYR . 1.3 t-20 -89.62 149.26 22.9 Favored 'General case' 0 CA--C 1.493 -1.233 0 O-C-N 121.804 -0.56 . . . . 15.0 110.477 -176.568 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 10.0 p30 -109.99 -3.67 16.37 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.193 -0.912 . . . . 15.0 111.473 -162.046 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 69.3 ttt180 -88.97 -64.4 1.15 Allowed 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.692 0.758 . . . . 15.0 109.166 173.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -97.64 -4.91 36.52 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 114.49 -1.232 . . . . 15.0 110.87 -177.166 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . 0.993 ' HA ' ' O ' ' A' ' 449' ' ' ASN . 0.3 OUTLIER 49.21 100.61 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 122.762 1.268 . . . . 15.0 114.13 -178.936 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 454' ' ' TYR . . . . . 1.033 ' HD1' ' HB3' ' A' ' 449' ' ' ASN . 29.0 m-85 -120.61 150.17 41.33 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 113.028 -1.896 . . . . 15.0 108.931 -178.151 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 12.4 p -124.51 103.51 8.2 Favored 'General case' 0 C--N 1.317 -0.835 0 C-N-CA 120.289 -0.565 . . . . 15.0 109.963 162.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 456' ' ' THR . . . . . 0.486 ' OG1' ' HG3' ' A' ' 458' ' ' GLU . 6.4 t -128.65 128.42 44.11 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.552 0.692 . . . . 15.0 110.551 176.813 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.529 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 95.5 m95 -81.22 0.09 38.2 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.1 -0.954 . . . . 15.0 111.636 178.681 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . 0.486 ' HG3' ' OG1' ' A' ' 456' ' ' THR . 0.5 OUTLIER -116.93 152.43 34.55 Favored 'General case' 0 N--CA 1.44 -0.927 0 CA-C-N 116.203 -0.453 . . . . 15.0 110.166 177.322 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . 0.478 ' HA ' ' CE2' ' A' ' 447' ' ' TYR . 22.9 ttmm -61.6 125.54 84.79 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 115.797 -0.638 . . . . 15.0 110.26 -178.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . 0.588 ' HD3' ' CD2' ' A' ' 447' ' ' TYR . 54.5 Cg_exo . . . . . 0 C--N 1.345 0.347 0 C-N-CA 123.326 2.684 . . . . 15.0 112.95 -175.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 434' ' ' GLU . . . . . 0.712 ' HB2' ' HG2' ' A' ' 451' ' ' ARG . 8.4 pt-20 . . . . . 0 CA--C 1.511 -0.528 0 CA-C-O 121.011 0.434 . . . . 15.0 111.17 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.556 ' HA ' ' HB2' ' A' ' 449' ' ' ASN . 50.7 m95 -89.6 137.71 32.09 Favored 'General case' 0 CA--C 1.499 -1.018 0 N-CA-C 109.1 -0.704 . . . . 15.0 109.1 -177.581 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 436' ' ' THR . . . . . 0.679 ' HB ' ' O ' ' A' ' 448' ' ' TYR . 1.1 m -117.01 114.16 23.39 Favored 'General case' 0 N--CA 1.417 -2.099 0 C-N-CA 118.803 -1.159 . . . . 15.0 109.666 -175.331 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -89.8 131.52 35.7 Favored 'General case' 0 C--N 1.309 -1.156 0 C-N-CA 119.699 -0.801 . . . . 15.0 110.793 -175.622 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . 0.465 ' O ' ' HA ' ' A' ' 445' ' ' THR . 50.7 m-85 -119.43 150.03 40.89 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.249 -0.887 . . . . 15.0 110.051 177.434 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 1.014 ' HE2' ' HA2' ' A' ' 443' ' ' GLY . 41.4 tttm -132.21 127.54 36.02 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-N 115.304 -0.862 . . . . 15.0 109.352 176.018 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 440' ' ' THR . . . . . 0.636 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 7.8 p -89.59 144.46 26.0 Favored 'General case' 0 N--CA 1.431 -1.385 0 N-CA-C 104.359 -2.46 . . . . 15.0 104.359 168.564 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -66.41 -1.3 3.35 Favored 'General case' 0 C--N 1.306 -1.285 0 N-CA-C 113.364 0.876 . . . . 15.0 113.364 -163.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . 0.46 ' CG ' ' HZ3' ' A' ' 444' ' ' LYS . 7.8 p-10 -81.76 -0.62 43.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.799 0.809 . . . . 15.0 108.903 169.566 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . 1.014 ' HA2' ' HE2' ' A' ' 439' ' ' LYS . . . 90.59 26.04 23.91 Favored Glycine 0 CA--C 1.502 -0.726 0 CA-C-N 114.398 -1.274 . . . . 15.0 112.857 172.534 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.697 ' HD2' ' HZ3' ' A' ' 457' ' ' TRP . 30.3 mtmm -83.37 108.91 16.87 Favored 'General case' 0 CA--C 1.5 -0.966 0 C-N-CA 120.854 -0.338 . . . . 15.0 110.564 173.716 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 445' ' ' THR . . . . . 0.465 ' HA ' ' O ' ' A' ' 438' ' ' TYR . 7.4 m -100.12 89.35 3.99 Favored 'General case' 0 C--N 1.311 -1.084 0 N-CA-C 109.072 -0.714 . . . . 15.0 109.072 177.543 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . 0.517 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 6.5 p90 -102.28 143.21 32.35 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 114.927 -1.033 . . . . 15.0 110.446 174.692 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -99.16 114.78 27.72 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.63 0.729 . . . . 15.0 112.008 -174.109 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . 0.868 ' HA ' ' O ' ' A' ' 454' ' ' TYR . 60.6 t80 -107.43 107.57 18.51 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 114.636 -1.165 . . . . 15.0 108.657 171.64 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 1.029 ' HB3' ' CD1' ' A' ' 454' ' ' TYR . 1.3 t-20 -89.66 148.51 23.27 Favored 'General case' 0 CA--C 1.493 -1.215 0 O-C-N 122.19 -0.319 . . . . 15.0 110.469 -175.375 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -110.59 -0.44 17.27 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 113.244 0.831 . . . . 15.0 113.244 -159.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . 0.712 ' HG2' ' HB2' ' A' ' 434' ' ' GLU . 3.4 ptm180 -104.18 -27.33 12.12 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.469 -0.492 . . . . 15.0 110.608 173.576 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 452' ' ' THR . . . . . 0.765 ' HB ' ' CE1' ' A' ' 454' ' ' TYR . 3.6 m -123.41 -7.47 8.13 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.912 -0.586 . . . . 15.0 110.027 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . 0.952 ' HA ' ' O ' ' A' ' 449' ' ' ASN 0.251 0.3 OUTLIER 50.61 94.3 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 122.809 1.29 . . . . 15.0 113.877 178.008 . . . . . . . . 4 4 . 1 . 010 nuclear orig core ' A' A ' 454' ' ' TYR . . . . . 1.029 ' CD1' ' HB3' ' A' ' 449' ' ' ASN . 27.5 m-85 -116.26 147.96 40.97 Favored 'General case' 0 CA--C 1.507 -0.708 0 CA-C-N 112.943 -1.935 . . . . 15.0 108.788 -179.282 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 20.2 p -117.51 89.9 3.22 Favored 'General case' 0 C--N 1.314 -0.977 0 N-CA-C 108.508 -0.923 . . . . 15.0 108.508 160.153 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 4.0 m -115.25 110.13 18.98 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 114.57 -1.196 . . . . 15.0 110.586 -171.223 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.697 ' HZ3' ' HD2' ' A' ' 444' ' ' LYS . 86.2 m95 -77.31 -0.12 24.32 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.184 -0.462 . . . . 15.0 111.831 -178.25 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -121.09 151.72 39.52 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 116.257 -0.429 . . . . 15.0 110.078 -179.194 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 18.6 ttmm -76.31 118.35 70.76 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 116.467 -0.333 . . . . 15.0 110.397 -178.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo . . . . . 0 C--O 1.234 0.303 0 C-N-CA 122.985 2.456 . . . . 15.0 112.251 179.478 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 434' ' ' GLU . . . . . 0.425 ' HB3' ' NH1' ' A' ' 451' ' ' ARG . 1.5 pm0 . . . . . 0 CA--C 1.51 -0.568 0 CA-C-O 121.185 0.516 . . . . 15.0 111.107 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.462 ' HA ' ' HB2' ' A' ' 449' ' ' ASN . 42.5 m95 -89.63 145.75 25.03 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 115.554 -0.748 . . . . 15.0 110.126 -174.343 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 436' ' ' THR . . . . . 0.667 ' HB ' ' O ' ' A' ' 448' ' ' TYR . 1.1 m -125.65 145.42 50.17 Favored 'General case' 0 N--CA 1.411 -2.414 0 N-CA-C 108.837 -0.801 . . . . 15.0 108.837 179.48 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -111.76 128.67 56.17 Favored 'General case' 0 C--N 1.306 -1.302 0 C-N-CA 119.718 -0.793 . . . . 15.0 110.273 169.089 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -116.31 149.93 38.48 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 115.917 -0.583 . . . . 15.0 110.148 178.148 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 0.619 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 0.1 OUTLIER -122.38 143.38 49.69 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 115.52 -0.763 . . . . 15.0 111.514 178.88 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 440' ' ' THR . . . . . 0.625 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 19.6 p -89.77 150.9 22.07 Favored 'General case' 0 C--N 1.31 -1.145 0 N-CA-C 107.072 -1.455 . . . . 15.0 107.072 166.311 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -46.66 -27.47 1.18 Allowed 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 112.771 0.656 . . . . 15.0 112.771 -176.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . 0.575 ' OD2' ' HG3' ' A' ' 444' ' ' LYS . 6.0 p-10 -79.73 -3.26 46.69 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-O 120.867 0.365 . . . . 15.0 111.889 178.826 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.45 30.04 12.91 Favored Glycine 0 CA--C 1.501 -0.791 0 CA-C-N 116.151 -0.477 . . . . 15.0 112.798 170.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.667 ' HD2' ' CZ3' ' A' ' 457' ' ' TRP . 29.8 mtmm -78.58 109.88 13.19 Favored 'General case' 0 CA--C 1.502 -0.873 0 C-N-CA 120.926 -0.31 . . . . 15.0 110.416 171.757 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 445' ' ' THR . . . . . 0.5 HG21 ' HD2' ' A' ' 439' ' ' LYS . 23.3 m -94.4 89.43 5.87 Favored 'General case' 0 N--CA 1.436 -1.144 0 N-CA-C 109.231 -0.655 . . . . 15.0 109.231 177.572 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . 0.572 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 10.5 p90 -103.01 148.13 26.08 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.684 -0.689 . . . . 15.0 110.28 173.288 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . 0.443 ' CD2' ' HD3' ' A' ' 460' ' ' PRO . 64.0 m-85 -96.9 113.23 24.76 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.926 0.87 . . . . 15.0 112.02 -173.456 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . 0.838 ' HA ' ' O ' ' A' ' 454' ' ' TYR . 45.9 t80 -112.68 111.15 21.75 Favored 'General case' 0 C--O 1.213 -0.843 0 CA-C-N 114.016 -1.447 . . . . 15.0 108.563 174.818 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 1.024 ' HB3' ' CD1' ' A' ' 454' ' ' TYR . 1.5 t-20 -89.81 146.91 24.11 Favored 'General case' 0 CA--C 1.491 -1.304 0 O-C-N 121.814 -0.554 . . . . 15.0 110.784 -176.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -111.46 1.68 17.09 Favored 'General case' 0 N--CA 1.443 -0.818 0 CA-C-N 115.372 -0.831 . . . . 15.0 112.312 -161.561 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . 0.425 ' NH1' ' HB3' ' A' ' 434' ' ' GLU . 36.3 ttp180 -93.88 -37.44 11.72 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.943 0.877 . . . . 15.0 109.78 171.667 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 452' ' ' THR . . . . . 0.406 ' HB ' ' CZ ' ' A' ' 454' ' ' TYR . 0.1 OUTLIER -127.88 -3.28 5.86 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 114.784 -1.098 . . . . 15.0 110.724 -172.347 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . 0.943 ' HA ' ' O ' ' A' ' 449' ' ' ASN . 0.2 OUTLIER 51.01 93.34 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 122.852 1.311 . . . . 15.0 113.895 176.463 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 454' ' ' TYR . . . . . 1.024 ' CD1' ' HB3' ' A' ' 449' ' ' ASN . 28.5 m-85 -115.81 148.25 40.1 Favored 'General case' 0 CA--C 1.511 -0.554 0 CA-C-N 112.775 -2.011 . . . . 15.0 108.555 -179.682 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 2.4 p -124.03 97.68 5.45 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-O 121.273 0.558 . . . . 15.0 109.915 166.231 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 5.0 t -127.77 123.65 35.81 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 115.773 -0.649 . . . . 15.0 110.78 -178.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.667 ' CZ3' ' HD2' ' A' ' 444' ' ' LYS . 71.5 m95 -76.97 -5.4 48.47 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.652 -0.704 . . . . 15.0 110.842 175.777 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -112.26 143.01 44.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.719 0.295 . . . . 15.0 110.369 -179.299 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . 0.468 ' HA ' ' HD3' ' A' ' 460' ' ' PRO . 38.0 ttmt -60.43 133.4 91.02 Favored Pre-proline 0 CA--C 1.534 0.347 0 CA-C-N 115.633 -0.712 . . . . 15.0 112.194 -173.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . 0.468 ' HD3' ' HA ' ' A' ' 459' ' ' LYS . 19.9 Cg_exo . . . . . 0 C--N 1.346 0.413 0 C-N-CA 123.56 2.84 . . . . 15.0 112.266 178.016 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 434' ' ' GLU . . . . . 0.953 ' HB2' ' HG2' ' A' ' 451' ' ' ARG . 10.8 pt-20 . . . . . 0 CA--C 1.515 -0.391 0 CA-C-O 120.535 0.207 . . . . 15.0 111.468 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.515 ' CD1' ' HG3' ' A' ' 434' ' ' GLU . 52.2 m95 -89.61 148.92 23.07 Favored 'General case' 0 CA--C 1.506 -0.719 0 CA-C-O 120.811 0.339 . . . . 15.0 110.182 -172.054 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 436' ' ' THR . . . . . 0.531 ' HB ' ' O ' ' A' ' 448' ' ' TYR . 1.1 m -135.42 149.93 49.74 Favored 'General case' 0 N--CA 1.417 -2.12 0 C-N-CA 120.143 -0.623 . . . . 15.0 109.615 177.246 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . 0.512 ' HB3' ' CD1' ' A' ' 447' ' ' TYR . 0.1 OUTLIER -119.5 136.15 54.46 Favored 'General case' 0 C--N 1.308 -1.202 0 CA-C-O 121.288 0.566 . . . . 15.0 111.178 171.867 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 36.2 m-85 -128.09 150.03 50.14 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.688 -0.687 . . . . 15.0 109.981 178.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 0.644 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 3.8 mppt? -111.64 146.85 36.72 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.679 0.752 . . . . 15.0 111.635 175.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 440' ' ' THR . . . . . 0.697 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 0.8 OUTLIER -101.66 150.21 23.34 Favored 'General case' 0 C--N 1.306 -1.305 0 CA-C-N 114.012 -1.449 . . . . 15.0 107.682 165.867 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -35.79 -40.62 0.19 Allowed 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 115.549 1.685 . . . . 15.0 115.549 -167.331 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . 0.457 ' CG ' ' HZ2' ' A' ' 444' ' ' LYS . 4.8 p-10 -78.92 4.36 14.4 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 118.431 0.56 . . . . 15.0 111.752 -175.754 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.48 29.68 13.59 Favored Glycine 0 N--CA 1.448 -0.558 0 CA-C-N 116.048 -0.523 . . . . 15.0 112.381 174.455 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.697 ' HB2' ' OG1' ' A' ' 440' ' ' THR . 61.1 mttp -78.61 110.47 13.76 Favored 'General case' 0 CA--C 1.505 -0.785 0 CA-C-N 115.75 -0.225 . . . . 15.0 110.469 173.427 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 17.3 m -97.27 89.43 4.75 Favored 'General case' 0 N--CA 1.436 -1.126 0 C-N-CA 119.832 -0.747 . . . . 15.0 109.686 176.709 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . 0.505 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 26.2 p90 -95.24 142.04 28.12 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.444 -0.798 . . . . 15.0 109.819 170.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . 0.512 ' CD1' ' HB3' ' A' ' 437' ' ' GLU . 97.5 m-85 -92.47 106.0 18.07 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-O 121.815 0.817 . . . . 15.0 111.682 -174.334 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . 0.857 ' HA ' ' O ' ' A' ' 454' ' ' TYR . 50.1 t80 -98.34 111.5 23.82 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-N 114.361 -1.29 . . . . 15.0 109.118 173.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.987 ' HB3' ' CD1' ' A' ' 454' ' ' TYR . 1.4 t-20 -89.84 147.41 23.79 Favored 'General case' 0 CA--C 1.494 -1.197 0 O-C-N 121.657 -0.652 . . . . 15.0 110.686 -178.763 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -113.35 3.75 16.04 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-N 115.538 -0.756 . . . . 15.0 112.89 -159.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . 0.953 ' HG2' ' HB2' ' A' ' 434' ' ' GLU . 0.9 OUTLIER -98.16 -28.76 13.58 Favored 'General case' 0 CA--C 1.519 -0.246 0 C-N-CA 120.381 -0.528 . . . . 15.0 109.834 171.407 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 452' ' ' THR . . . . . 0.658 ' HB ' ' CE1' ' A' ' 454' ' ' TYR . 27.1 m -132.54 -8.84 3.24 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.282 -0.872 . . . . 15.0 110.467 -173.276 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . 0.905 ' HA ' ' O ' ' A' ' 449' ' ' ASN 0.271 1.8 pp 57.26 96.3 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 123.185 1.469 . . . . 15.0 113.971 175.33 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 454' ' ' TYR . . . . . 0.987 ' CD1' ' HB3' ' A' ' 449' ' ' ASN . 29.8 m-85 -120.39 145.58 47.03 Favored 'General case' 0 CA--C 1.509 -0.601 0 CA-C-N 112.651 -2.068 . . . . 15.0 109.091 -177.566 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 4.1 p -119.62 98.61 6.2 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 121.132 0.491 . . . . 15.0 109.931 165.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 2.7 t -123.57 124.31 42.53 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.371 0.605 . . . . 15.0 110.722 179.555 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.505 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 83.7 m95 -80.16 -0.2 35.0 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.384 -0.825 . . . . 15.0 111.229 179.359 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -117.39 144.63 44.76 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.523 -0.547 . . . . 15.0 109.523 179.522 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -75.85 122.52 87.17 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 116.194 -0.457 . . . . 15.0 110.512 -178.35 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo . . . . . 0 C--O 1.234 0.293 0 C-N-CA 122.876 2.384 . . . . 15.0 112.225 -178.764 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 434' ' ' GLU . . . . . 0.51 ' HB2' ' HB3' ' A' ' 451' ' ' ARG . 8.3 pt-20 . . . . . 0 CA--C 1.513 -0.466 0 CA-C-O 121.125 0.488 . . . . 15.0 110.287 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.465 ' CD1' ' HG3' ' A' ' 434' ' ' GLU . 43.2 m95 -89.9 141.7 28.39 Favored 'General case' 0 CA--C 1.504 -0.792 0 CA-C-N 115.553 -0.748 . . . . 15.0 109.837 -174.299 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 436' ' ' THR . . . . . 0.657 ' HB ' ' O ' ' A' ' 448' ' ' TYR . 1.1 m -126.97 142.53 51.53 Favored 'General case' 0 N--CA 1.417 -2.083 0 C-N-CA 119.662 -0.815 . . . . 15.0 109.351 -178.337 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -113.62 129.81 56.5 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-O 121.603 0.716 . . . . 15.0 111.031 173.84 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -123.84 150.16 44.9 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.358 -0.837 . . . . 15.0 110.167 178.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 0.585 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 3.3 mppt? -122.77 148.02 45.83 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-O 121.882 0.849 . . . . 15.0 111.458 172.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 440' ' ' THR . . . . . 0.577 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 17.7 p -94.94 150.48 20.12 Favored 'General case' 0 C--N 1.306 -1.324 0 CA-C-N 113.845 -1.525 . . . . 15.0 107.323 166.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -38.54 -33.96 0.12 Allowed 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 114.223 1.194 . . . . 15.0 114.223 -176.281 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . 0.412 ' OD2' ' HG3' ' A' ' 444' ' ' LYS . 8.0 p-10 -78.24 -3.85 44.87 Favored 'General case' 0 N--CA 1.469 0.524 0 O-C-N 122.122 -0.361 . . . . 15.0 111.649 -178.167 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.38 29.9 13.34 Favored Glycine 0 CA--C 1.505 -0.582 0 CA-C-N 116.362 -0.381 . . . . 15.0 112.743 174.008 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.585 ' O ' ' HA ' ' A' ' 439' ' ' LYS . 37.0 mttm -72.5 110.57 6.98 Favored 'General case' 0 CA--C 1.504 -0.815 0 N-CA-C 109.936 -0.394 . . . . 15.0 109.936 171.383 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 18.2 m -93.78 89.21 6.07 Favored 'General case' 0 N--CA 1.434 -1.244 0 C-N-CA 119.088 -1.045 . . . . 15.0 109.017 175.458 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . 0.564 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 4.4 p90 -102.56 141.45 35.36 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.73 -0.668 . . . . 15.0 110.102 171.434 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 68.4 m-85 -96.36 109.81 22.26 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-O 121.63 0.728 . . . . 15.0 111.173 -175.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . 0.807 ' HA ' ' O ' ' A' ' 454' ' ' TYR . 56.2 t80 -104.95 112.57 25.75 Favored 'General case' 0 C--O 1.21 -1.019 0 CA-C-N 114.451 -1.249 . . . . 15.0 108.633 174.776 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 1.049 ' HB3' ' HD1' ' A' ' 454' ' ' TYR . 1.0 OUTLIER -89.57 147.24 24.05 Favored 'General case' 0 CA--C 1.496 -1.128 0 O-C-N 121.804 -0.56 . . . . 15.0 110.455 -178.855 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -110.13 -4.11 15.99 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.522 -0.763 . . . . 15.0 111.61 -163.316 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . 0.51 ' HB3' ' HB2' ' A' ' 434' ' ' GLU . 61.0 ttt180 -88.49 -46.99 8.66 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.557 -0.747 . . . . 15.0 109.829 174.753 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -119.54 -1.75 10.62 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 114.856 -1.065 . . . . 15.0 110.824 -175.433 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . 0.959 ' HA ' ' O ' ' A' ' 449' ' ' ASN . 0.3 OUTLIER 49.27 98.92 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 122.846 1.308 . . . . 15.0 114.327 179.485 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 454' ' ' TYR . . . . . 1.049 ' HD1' ' HB3' ' A' ' 449' ' ' ASN . 55.4 m-85 -121.12 149.38 42.85 Favored 'General case' 0 CA--C 1.51 -0.561 0 CA-C-N 113.11 -1.859 . . . . 15.0 109.112 -179.246 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 11.2 p -122.58 95.09 4.5 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-O 121.412 0.625 . . . . 15.0 109.635 164.662 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 4.6 t -121.84 121.34 36.95 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 115.575 -0.739 . . . . 15.0 110.775 -178.334 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.564 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 60.8 m95 -81.35 -4.95 57.23 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.506 -0.77 . . . . 15.0 109.857 177.01 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -103.21 142.84 33.47 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.608 -0.723 . . . . 15.0 109.85 179.143 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 44.0 tttp -80.72 120.67 79.72 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 116.109 -0.496 . . . . 15.0 110.746 -177.219 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo . . . . . 0 C--O 1.237 0.427 0 C-N-CA 122.615 2.21 . . . . 15.0 111.809 178.506 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 434' ' ' GLU . . . . . 0.527 ' HG3' ' CD1' ' A' ' 435' ' ' TRP . 10.0 pt-20 . . . . . 0 CA--C 1.515 -0.402 0 N-CA-C 112.161 0.43 . . . . 15.0 112.161 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.527 ' CD1' ' HG3' ' A' ' 434' ' ' GLU . 56.8 m95 -89.68 143.38 26.85 Favored 'General case' 0 C--N 1.311 -1.089 0 CA-C-N 116.145 -0.48 . . . . 15.0 110.505 -171.822 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 436' ' ' THR . . . . . 0.635 ' HB ' ' O ' ' A' ' 448' ' ' TYR . 1.1 m -122.56 143.81 49.5 Favored 'General case' 0 N--CA 1.413 -2.28 0 N-CA-C 109.004 -0.739 . . . . 15.0 109.004 179.191 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -112.48 132.25 55.17 Favored 'General case' 0 C--N 1.308 -1.204 0 CA-C-O 121.635 0.731 . . . . 15.0 110.971 174.866 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -128.32 150.37 50.1 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.281 -0.872 . . . . 15.0 110.359 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 0.597 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 0.0 OUTLIER -121.93 146.27 47.29 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-O 121.87 0.843 . . . . 15.0 112.181 176.775 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 440' ' ' THR . . . . . 0.642 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 16.1 p -90.37 150.83 21.71 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-N 114.081 -1.418 . . . . 15.0 107.926 164.639 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -45.14 -25.67 0.38 Allowed 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 113.538 0.94 . . . . 15.0 113.538 -178.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . 0.516 ' OD2' ' HG3' ' A' ' 444' ' ' LYS . 6.3 p-10 -83.83 -3.16 57.66 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-O 120.921 0.391 . . . . 15.0 111.576 179.652 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.66 30.01 12.54 Favored Glycine 0 CA--C 1.504 -0.654 0 CA-C-N 116.108 -0.496 . . . . 15.0 112.92 172.485 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.642 ' HB2' ' OG1' ' A' ' 440' ' ' THR . 57.6 mttp -77.42 107.12 9.62 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.971 -0.381 . . . . 15.0 109.971 170.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 23.8 m -92.03 89.25 6.89 Favored 'General case' 0 N--CA 1.439 -1.009 0 C-N-CA 119.479 -0.888 . . . . 15.0 109.116 174.583 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . 0.516 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 21.7 p90 -99.8 146.0 27.08 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.465 -0.789 . . . . 15.0 109.776 172.131 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 -96.31 105.08 17.09 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.821 0.819 . . . . 15.0 111.715 -176.186 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . 0.874 ' HA ' ' O ' ' A' ' 454' ' ' TYR . 50.5 t80 -96.73 108.18 20.78 Favored 'General case' 0 N--CA 1.44 -0.93 0 CA-C-N 114.203 -1.362 . . . . 15.0 109.015 173.801 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.991 ' HB3' ' CD1' ' A' ' 454' ' ' TYR . 2.8 t-20 -90.01 146.57 24.26 Favored 'General case' 0 CA--C 1.491 -1.308 0 O-C-N 121.955 -0.466 . . . . 15.0 110.48 -177.843 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -110.65 4.94 20.59 Favored 'General case' 0 N--CA 1.445 -0.725 0 O-C-N 124.085 0.866 . . . . 15.0 113.208 -156.557 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . 0.443 ' HD3' ' OE1' ' A' ' 434' ' ' GLU . 2.3 ptm180 -104.8 -24.29 12.92 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.196 0.522 . . . . 15.0 110.276 171.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 452' ' ' THR . . . . . 0.764 ' HB ' ' CE1' ' A' ' 454' ' ' TYR . 11.8 m -129.2 -14.16 4.36 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.666 -0.697 . . . . 15.0 110.41 -176.395 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . 0.887 ' HA ' ' O ' ' A' ' 449' ' ' ASN 0.303 2.8 pp 58.49 88.59 0.06 Allowed 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 123.465 1.602 . . . . 15.0 113.319 177.576 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 454' ' ' TYR . . . . . 0.991 ' CD1' ' HB3' ' A' ' 449' ' ' ASN . 27.9 m-85 -109.8 142.7 40.69 Favored 'General case' 0 CA--C 1.511 -0.545 0 CA-C-N 112.139 -2.3 . . . . 15.0 109.085 -179.133 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 5.1 p -117.59 97.89 6.11 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.76 -0.459 . . . . 15.0 109.76 165.487 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 5.1 t -125.65 125.14 42.62 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.433 0.635 . . . . 15.0 110.849 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.53 ' CZ3' ' HD3' ' A' ' 444' ' ' LYS . 30.1 m95 -81.01 -2.84 49.6 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.278 -0.874 . . . . 15.0 110.718 177.449 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -112.75 140.22 47.72 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 108.788 -0.819 . . . . 15.0 108.788 176.323 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -68.56 125.6 91.89 Favored Pre-proline 0 C--N 1.324 -0.538 0 N-CA-C 110.049 -0.352 . . . . 15.0 110.049 -179.061 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . 0.407 ' HG3' ' CE3' ' A' ' 435' ' ' TRP . 11.0 Cg_endo . . . . . 0 C--O 1.234 0.288 0 C-N-CA 123.028 2.485 . . . . 15.0 112.43 177.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 434' ' ' GLU . . . . . 0.477 ' OE1' ' HD3' ' A' ' 451' ' ' ARG . 11.5 pt-20 . . . . . 0 CA--C 1.515 -0.377 0 CA-C-O 121.088 0.47 . . . . 15.0 110.911 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.611 ' HA ' ' HB2' ' A' ' 449' ' ' ASN . 52.3 m95 -89.67 138.02 31.83 Favored 'General case' 0 CA--C 1.502 -0.877 0 N-CA-C 108.744 -0.836 . . . . 15.0 108.744 -176.615 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 436' ' ' THR . . . . . 0.583 ' HB ' ' O ' ' A' ' 448' ' ' TYR . 1.1 m -121.12 113.79 20.52 Favored 'General case' 0 N--CA 1.417 -2.078 0 C-N-CA 118.897 -1.121 . . . . 15.0 110.198 -174.532 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.98 128.98 36.36 Favored 'General case' 0 C--N 1.312 -1.064 0 C-N-CA 118.876 -1.129 . . . . 15.0 111.275 -176.609 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -118.95 150.18 40.36 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.176 -0.92 . . . . 15.0 110.137 179.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 0.611 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 2.4 mppt? -121.91 147.83 45.52 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.734 0.778 . . . . 15.0 111.489 176.51 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 440' ' ' THR . . . . . 0.482 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 81.2 p -90.03 150.91 21.9 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-N 114.149 -1.387 . . . . 15.0 107.661 167.384 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -46.94 -24.27 0.58 Allowed 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 112.85 0.685 . . . . 15.0 112.85 177.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . 0.408 ' OD2' ' HG3' ' A' ' 444' ' ' LYS . 6.5 p-10 -89.9 -0.56 57.64 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-O 121.062 0.458 . . . . 15.0 111.443 178.068 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.88 29.85 12.35 Favored Glycine 0 CA--C 1.504 -0.618 0 CA-C-N 116.09 -0.504 . . . . 15.0 112.937 170.26 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.611 ' O ' ' HA ' ' A' ' 439' ' ' LYS . 59.7 mttp -73.93 107.95 6.46 Favored 'General case' 0 CA--C 1.503 -0.854 0 N-CA-C 109.68 -0.489 . . . . 15.0 109.68 169.58 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 23.5 m -93.77 89.35 6.13 Favored 'General case' 0 N--CA 1.437 -1.118 0 C-N-CA 119.479 -0.888 . . . . 15.0 109.033 175.091 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . 0.578 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 7.2 p90 -102.85 145.52 29.67 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.237 -0.892 . . . . 15.0 110.066 172.497 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -98.57 117.79 33.8 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.473 0.654 . . . . 15.0 111.929 -174.255 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . 0.885 ' HA ' ' O ' ' A' ' 454' ' ' TYR . 54.7 t80 -115.16 106.51 14.16 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.663 -1.153 . . . . 15.0 109.261 174.655 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 1.014 ' HB3' ' CD1' ' A' ' 454' ' ' TYR . 1.5 t-20 -89.66 147.38 23.92 Favored 'General case' 0 CA--C 1.492 -1.275 0 O-C-N 122.298 -0.251 . . . . 15.0 110.535 -173.556 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -109.92 3.8 20.91 Favored 'General case' 0 N--CA 1.447 -0.6 0 N-CA-C 113.337 0.866 . . . . 15.0 113.337 -158.594 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . 0.477 ' HD3' ' OE1' ' A' ' 434' ' ' GLU . 8.0 ptm180 -103.45 -27.46 12.38 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.382 0.611 . . . . 15.0 110.265 172.164 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 452' ' ' THR . . . . . 0.782 ' HB ' ' CE1' ' A' ' 454' ' ' TYR . 13.3 m -127.58 -8.93 5.66 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.504 -0.771 . . . . 15.0 110.352 -176.809 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . 0.917 ' HA ' ' O ' ' A' ' 449' ' ' ASN 0.262 0.3 OUTLIER 53.6 89.16 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 122.92 1.343 . . . . 15.0 113.372 176.602 . . . . . . . . 4 4 . 1 . 015 nuclear orig core ' A' A ' 454' ' ' TYR . . . . . 1.014 ' CD1' ' HB3' ' A' ' 449' ' ' ASN . 29.6 m-85 -110.5 147.07 34.86 Favored 'General case' 0 CA--C 1.508 -0.645 0 CA-C-N 112.436 -2.165 . . . . 15.0 108.769 -179.451 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 3.7 p -125.56 103.18 7.73 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 109.637 -0.505 . . . . 15.0 109.637 165.481 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 8.7 t -136.86 127.15 26.44 Favored 'General case' 0 N--CA 1.441 -0.89 0 CA-C-O 121.669 0.747 . . . . 15.0 111.557 -179.45 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.578 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 24.1 m95 -77.75 -0.37 26.73 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.962 -1.017 . . . . 15.0 110.355 173.169 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -104.0 124.84 49.75 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.227 -0.442 . . . . 15.0 110.029 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 8.6 ttmm -63.31 116.93 29.05 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 115.896 -0.593 . . . . 15.0 110.505 179.546 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo . . . . . 0 CA--C 1.528 0.224 0 C-N-CA 122.818 2.345 . . . . 15.0 112.132 178.944 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 434' ' ' GLU . . . . . 0.693 ' HB2' ' HG2' ' A' ' 451' ' ' ARG . 8.6 pt-20 . . . . . 0 CA--C 1.515 -0.387 0 CA-C-O 120.805 0.336 . . . . 15.0 111.729 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.442 ' HA ' ' HB2' ' A' ' 449' ' ' ASN . 34.0 m95 -89.81 133.31 34.79 Favored 'General case' 0 CA--C 1.5 -0.953 0 CA-C-N 116.096 -0.502 . . . . 15.0 109.705 -174.323 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 436' ' ' THR . . . . . 0.72 ' HB ' ' O ' ' A' ' 448' ' ' TYR . 1.1 m -114.17 138.09 50.9 Favored 'General case' 0 N--CA 1.413 -2.304 0 N-CA-C 108.525 -0.917 . . . . 15.0 108.525 -176.51 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -112.0 130.28 55.91 Favored 'General case' 0 C--N 1.305 -1.343 0 CA-C-O 121.748 0.785 . . . . 15.0 110.565 176.654 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -128.71 150.14 50.39 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 114.917 -1.038 . . . . 15.0 109.93 -177.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 0.532 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 8.6 mptt -113.94 144.51 42.95 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-O 122.159 0.98 . . . . 15.0 112.18 173.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 440' ' ' THR . . . . . 0.612 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 10.5 p -90.31 150.69 21.81 Favored 'General case' 0 C--N 1.306 -1.308 0 CA-C-N 113.543 -1.662 . . . . 15.0 107.864 169.08 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -51.42 -22.87 3.29 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.785 0.661 . . . . 15.0 112.785 -177.043 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -86.11 -0.32 55.35 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-O 120.767 0.318 . . . . 15.0 111.269 179.204 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.45 30.33 12.31 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 121.284 -0.484 . . . . 15.0 112.889 169.492 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.612 ' HB2' ' OG1' ' A' ' 440' ' ' THR . 45.0 mmtm -82.82 127.76 33.78 Favored 'General case' 0 CA--C 1.494 -1.187 0 N-CA-C 109.839 -0.43 . . . . 15.0 109.839 169.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 445' ' ' THR . . . . . 0.491 HG22 ' HE3' ' A' ' 439' ' ' LYS . 21.9 m -94.38 89.23 5.8 Favored 'General case' 0 N--CA 1.429 -1.52 0 C-N-CA 118.474 -1.29 . . . . 15.0 107.867 166.787 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . 0.589 ' CE1' HG22 ' A' ' 440' ' ' THR . 5.1 p90 -96.07 144.19 26.55 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.757 -0.656 . . . . 15.0 110.377 170.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -100.95 116.89 33.87 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-O 121.545 0.688 . . . . 15.0 111.39 -175.66 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . 0.829 ' HA ' ' O ' ' A' ' 454' ' ' TYR . 80.3 t80 -113.79 110.58 20.38 Favored 'General case' 0 C--O 1.211 -0.932 0 CA-C-N 114.609 -1.178 . . . . 15.0 109.05 174.746 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 1.083 ' HB3' ' HD1' ' A' ' 454' ' ' TYR . 2.5 t-20 -89.86 149.53 22.61 Favored 'General case' 0 CA--C 1.493 -1.245 0 O-C-N 121.811 -0.556 . . . . 15.0 110.165 -178.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -114.62 1.03 14.12 Favored 'General case' 0 N--CA 1.439 -0.994 0 CA-C-N 115.352 -0.84 . . . . 15.0 113.25 -157.603 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . 0.693 ' HG2' ' HB2' ' A' ' 434' ' ' GLU . 2.3 ptm180 -107.7 -28.54 9.65 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.371 -0.532 . . . . 15.0 110.704 173.535 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 452' ' ' THR . . . . . 0.632 ' HB ' ' CE1' ' A' ' 454' ' ' TYR . 4.7 m -122.83 -6.73 8.49 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.981 -0.554 . . . . 15.0 109.554 179.571 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . 0.971 ' HA ' ' O ' ' A' ' 449' ' ' ASN . 0.3 OUTLIER 50.62 102.45 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 122.844 1.307 . . . . 15.0 114.284 176.655 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 454' ' ' TYR . . . . . 1.083 ' HD1' ' HB3' ' A' ' 449' ' ' ASN . 26.2 m-85 -124.7 145.44 49.68 Favored 'General case' 0 C--O 1.22 -0.463 0 CA-C-N 112.821 -1.99 . . . . 15.0 108.411 -178.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 4.4 p -124.71 96.87 5.05 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-O 121.492 0.663 . . . . 15.0 110.072 167.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 4.2 t -128.86 120.24 25.88 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.707 -0.679 . . . . 15.0 111.309 -177.355 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.517 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 20.8 m95 -74.41 -9.47 58.62 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.768 -0.651 . . . . 15.0 110.142 174.671 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -101.42 133.04 46.66 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.502 -0.772 . . . . 15.0 110.032 -177.666 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 23.2 ttmm -67.69 121.08 77.85 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 116.044 -0.525 . . . . 15.0 111.125 -178.231 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . 0.406 ' HG3' ' CZ3' ' A' ' 435' ' ' TRP . 96.1 Cg_endo . . . . . 0 C--N 1.346 0.4 0 C-N-CA 123.216 2.611 . . . . 15.0 112.97 -178.194 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 434' ' ' GLU . . . . . 0.57 ' HB2' ' HG2' ' A' ' 451' ' ' ARG . 6.4 pt-20 . . . . . 0 CA--C 1.511 -0.522 0 CA-C-O 120.893 0.378 . . . . 15.0 110.704 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.53 ' HA ' ' HB2' ' A' ' 449' ' ' ASN . 43.4 m95 -89.51 141.45 28.56 Favored 'General case' 0 CA--C 1.501 -0.918 0 CA-C-N 115.785 -0.643 . . . . 15.0 109.476 -175.386 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 436' ' ' THR . . . . . 0.654 ' HB ' ' O ' ' A' ' 448' ' ' TYR . 1.1 m -124.99 142.42 51.5 Favored 'General case' 0 N--CA 1.414 -2.249 0 C-N-CA 119.643 -0.823 . . . . 15.0 109.108 -178.315 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -110.34 131.22 55.24 Favored 'General case' 0 C--N 1.308 -1.199 0 C-N-CA 119.62 -0.832 . . . . 15.0 110.437 172.693 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -127.48 150.28 49.73 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.498 -0.774 . . . . 15.0 110.267 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 0.558 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 0.0 OUTLIER -121.0 142.1 50.11 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-O 121.784 0.802 . . . . 15.0 111.532 175.813 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 440' ' ' THR . . . . . 0.691 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 6.0 p -90.17 150.89 21.82 Favored 'General case' 0 C--N 1.308 -1.228 0 CA-C-N 114.086 -1.415 . . . . 15.0 107.452 166.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -45.42 -24.9 0.35 Allowed 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 113.95 1.093 . . . . 15.0 113.95 -174.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . 0.451 ' OD2' ' HG3' ' A' ' 444' ' ' LYS . 8.0 p-10 -83.8 -2.51 56.51 Favored 'General case' 0 CA--C 1.534 0.336 0 O-C-N 121.938 -0.476 . . . . 15.0 111.303 179.829 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.28 29.77 13.86 Favored Glycine 0 CA--C 1.505 -0.566 0 CA-C-N 116.074 -0.512 . . . . 15.0 112.597 172.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.691 ' HB2' ' OG1' ' A' ' 440' ' ' THR . 95.0 mttt -76.86 106.53 8.59 Favored 'General case' 0 CA--C 1.503 -0.84 0 N-CA-C 110.054 -0.35 . . . . 15.0 110.054 172.096 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 17.9 m -90.68 89.23 7.43 Favored 'General case' 0 N--CA 1.434 -1.243 0 C-N-CA 119.6 -0.84 . . . . 15.0 109.055 175.05 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . 0.558 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 24.7 p90 -104.06 150.02 24.67 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 115.419 -0.81 . . . . 15.0 109.84 172.356 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -101.71 104.77 15.6 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-O 121.804 0.811 . . . . 15.0 111.637 -173.267 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . 0.833 ' HA ' ' O ' ' A' ' 454' ' ' TYR . 53.6 t80 -101.07 111.13 23.26 Favored 'General case' 0 C--O 1.215 -0.756 0 CA-C-N 114.245 -1.343 . . . . 15.0 108.966 175.832 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 1.045 ' HB3' ' HD1' ' A' ' 454' ' ' TYR . 1.3 t-20 -89.6 148.09 23.55 Favored 'General case' 0 CA--C 1.49 -1.341 0 O-C-N 122.108 -0.37 . . . . 15.0 110.599 -177.775 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -112.23 4.44 17.8 Favored 'General case' 0 N--CA 1.447 -0.6 0 O-C-N 123.92 0.762 . . . . 15.0 113.018 -158.66 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . 0.57 ' HG2' ' HB2' ' A' ' 434' ' ' GLU . 3.5 ptt180 -100.01 -32.55 10.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.354 0.597 . . . . 15.0 109.621 171.149 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 452' ' ' THR . . . . . 0.731 ' HB ' ' CE1' ' A' ' 454' ' ' TYR . 10.6 m -123.53 -11.46 7.82 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.218 -0.901 . . . . 15.0 110.38 -174.83 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . 0.93 ' HA ' ' O ' ' A' ' 449' ' ' ASN . 0.4 OUTLIER 54.38 86.63 0.05 OUTLIER 'General case' 0 CA--C 1.518 -0.257 0 CA-C-O 122.865 1.317 . . . . 15.0 113.085 179.764 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 454' ' ' TYR . . . . . 1.045 ' HD1' ' HB3' ' A' ' 449' ' ' ASN . 39.5 m-85 -104.73 142.74 34.16 Favored 'General case' 0 CA--C 1.505 -0.779 0 CA-C-N 112.813 -1.994 . . . . 15.0 108.842 179.046 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 3.5 p -118.98 96.86 5.42 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-O 121.123 0.487 . . . . 15.0 109.704 169.333 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 3.4 t -128.42 122.07 30.49 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.464 0.65 . . . . 15.0 110.554 178.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.59 ' CZ3' ' HD3' ' A' ' 444' ' ' LYS . 76.1 m95 -79.94 -5.63 55.99 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.214 -0.903 . . . . 15.0 111.208 -178.577 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -117.12 141.57 48.1 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.856 -0.424 . . . . 15.0 109.856 179.279 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -65.78 123.04 83.72 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 115.65 -0.705 . . . . 15.0 111.299 -174.332 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo . . . . . 0 C--N 1.342 0.23 0 C-N-CA 123.17 2.58 . . . . 15.0 112.596 -178.032 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 434' ' ' GLU . . . . . 0.408 ' HB2' ' HG2' ' A' ' 451' ' ' ARG . 7.9 pt-20 . . . . . 0 CA--C 1.51 -0.591 0 CA-C-O 121.179 0.514 . . . . 15.0 111.246 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.513 ' HA ' ' HB2' ' A' ' 449' ' ' ASN . 29.1 m95 -89.62 135.68 33.47 Favored 'General case' 0 N--CA 1.438 -1.068 0 CA-C-N 115.613 -0.721 . . . . 15.0 109.521 -174.656 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 436' ' ' THR . . . . . 0.715 ' HB ' ' O ' ' A' ' 448' ' ' TYR . 1.1 m -115.57 145.5 42.6 Favored 'General case' 0 N--CA 1.415 -2.207 0 N-CA-C 108.238 -1.023 . . . . 15.0 108.238 -173.116 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -115.16 150.82 35.45 Favored 'General case' 0 C--N 1.302 -1.5 0 C-N-CA 119.15 -1.02 . . . . 15.0 113.236 173.227 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -149.57 149.99 31.56 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-N 113.65 -1.614 . . . . 15.0 109.35 -173.454 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 0.548 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 0.0 OUTLIER -117.17 144.76 44.39 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-O 121.917 0.865 . . . . 15.0 111.727 175.013 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 440' ' ' THR . . . . . 0.623 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 1.3 p -99.31 150.33 22.23 Favored 'General case' 0 C--N 1.304 -1.391 0 CA-C-N 113.901 -1.499 . . . . 15.0 108.019 168.239 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -60.48 -7.99 2.47 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 113.104 0.779 . . . . 15.0 113.104 -171.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -88.72 -2.02 58.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.073 0.463 . . . . 15.0 110.272 176.415 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.45 29.88 13.25 Favored Glycine 0 N--CA 1.449 -0.498 0 CA-C-N 115.895 -0.593 . . . . 15.0 112.665 173.05 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.69 ' HE2' ' HA ' ' A' ' 444' ' ' LYS . 9.7 mmpt? -85.39 130.4 34.6 Favored 'General case' 0 CA--C 1.497 -1.067 0 N-CA-C 110.103 -0.332 . . . . 15.0 110.103 169.545 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 58.8 m -102.5 89.14 3.44 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 107.563 -1.273 . . . . 15.0 107.563 163.639 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . 0.481 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 13.7 p90 -94.72 148.17 22.55 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.391 -0.822 . . . . 15.0 110.361 175.075 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -99.71 116.15 31.14 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.469 0.652 . . . . 15.0 110.908 -175.188 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . 0.87 ' HA ' ' O ' ' A' ' 454' ' ' TYR . 49.8 t80 -117.51 110.99 18.65 Favored 'General case' 0 C--O 1.206 -1.197 0 CA-C-N 114.674 -1.148 . . . . 15.0 108.879 178.342 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 1.014 ' HB3' ' CD1' ' A' ' 454' ' ' TYR . 2.5 t-20 -89.71 147.97 23.55 Favored 'General case' 0 C--O 1.206 -1.228 0 O-C-N 121.966 -0.459 . . . . 15.0 110.878 -176.191 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -107.63 -5.68 17.34 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 113.505 0.928 . . . . 15.0 113.505 -158.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . 0.408 ' HG2' ' HB2' ' A' ' 434' ' ' GLU . 7.8 ptm180 -99.13 -20.78 16.48 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.092 -0.643 . . . . 15.0 110.613 176.252 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 452' ' ' THR . . . . . 0.759 ' HB ' ' CE1' ' A' ' 454' ' ' TYR . 4.4 m -132.36 -10.9 3.24 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.604 -0.725 . . . . 15.0 110.258 -178.185 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . 0.927 ' HA ' ' O ' ' A' ' 449' ' ' ASN 0.264 1.4 pp 54.96 92.63 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 123.269 1.509 . . . . 15.0 113.666 176.146 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 454' ' ' TYR . . . . . 1.014 ' CD1' ' HB3' ' A' ' 449' ' ' ASN . 31.6 m-85 -114.43 136.65 52.77 Favored 'General case' 0 CA--C 1.504 -0.802 0 CA-C-N 112.354 -2.203 . . . . 15.0 108.942 -177.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 3.8 p -111.36 101.28 9.75 Favored 'General case' 0 C--N 1.315 -0.921 0 N-CA-C 109.734 -0.469 . . . . 15.0 109.734 167.577 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 7.4 t -135.41 124.81 24.83 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.739 0.781 . . . . 15.0 111.061 178.445 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.481 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 27.1 m95 -77.75 -7.14 56.13 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.892 -1.049 . . . . 15.0 110.984 178.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -102.62 138.22 39.82 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.185 -0.461 . . . . 15.0 109.916 178.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . 0.412 ' HA ' ' HD2' ' A' ' 460' ' ' PRO . 66.9 tttt -70.97 121.24 83.5 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 115.909 -0.587 . . . . 15.0 110.386 -177.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . 0.442 ' HG3' ' CE3' ' A' ' 435' ' ' TRP . 11.1 Cg_endo . . . . . 0 C--N 1.342 0.2 0 C-N-CA 123.138 2.559 . . . . 15.0 111.317 177.103 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 434' ' ' GLU . . . . . 0.448 ' HG3' ' CD1' ' A' ' 435' ' ' TRP . 9.1 pt-20 . . . . . 0 CA--C 1.512 -0.492 0 CA-C-O 120.793 0.33 . . . . 15.0 111.217 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.463 ' HA ' ' HB2' ' A' ' 449' ' ' ASN . 42.6 m95 -89.61 138.1 31.76 Favored 'General case' 0 CA--C 1.502 -0.904 0 CA-C-N 116.243 -0.435 . . . . 15.0 109.926 -174.732 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 436' ' ' THR . . . . . 0.701 ' HB ' ' O ' ' A' ' 448' ' ' TYR . 1.1 m -122.85 137.05 55.04 Favored 'General case' 0 N--CA 1.414 -2.273 0 N-CA-C 108.752 -0.832 . . . . 15.0 108.752 -177.152 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . 0.418 ' O ' ' HG2' ' A' ' 437' ' ' GLU . 1.1 pm0 -109.99 130.49 55.52 Favored 'General case' 0 C--N 1.307 -1.268 0 C-N-CA 119.757 -0.777 . . . . 15.0 110.399 174.642 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -123.03 150.22 43.35 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.217 -0.901 . . . . 15.0 109.936 178.396 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 0.643 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 37.3 ttpt -128.53 133.69 48.47 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-N 115.448 -0.796 . . . . 15.0 110.363 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 440' ' ' THR . . . . . 0.687 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 9.6 p -89.93 145.92 24.77 Favored 'General case' 0 N--CA 1.436 -1.161 0 N-CA-C 104.888 -2.264 . . . . 15.0 104.888 165.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -65.77 -2.31 3.6 Favored 'General case' 0 C--N 1.308 -1.229 0 N-CA-C 113.121 0.786 . . . . 15.0 113.121 -165.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -84.91 0.99 49.24 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.525 0.679 . . . . 15.0 109.317 171.069 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.71 30.23 12.03 Favored Glycine 0 N--CA 1.443 -0.85 0 CA-C-N 114.976 -1.011 . . . . 15.0 112.997 171.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.687 ' HB2' ' OG1' ' A' ' 440' ' ' THR . 46.7 mttm -86.72 100.41 12.46 Favored 'General case' 0 C--N 1.315 -0.896 0 N-CA-C 109.95 -0.389 . . . . 15.0 109.95 171.68 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 17.3 m -91.95 89.28 6.93 Favored 'General case' 0 N--CA 1.439 -0.992 0 C-N-CA 119.322 -0.951 . . . . 15.0 108.908 172.231 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . 0.461 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 11.1 p90 -96.11 141.36 29.59 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.004 -0.998 . . . . 15.0 109.832 173.233 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 -96.92 109.43 22.16 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-O 121.799 0.809 . . . . 15.0 111.54 -173.584 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . 0.763 ' HA ' ' O ' ' A' ' 454' ' ' TYR . 43.3 t80 -107.48 112.17 24.81 Favored 'General case' 0 C--O 1.212 -0.915 0 CA-C-N 114.308 -1.315 . . . . 15.0 108.563 175.651 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 1.089 ' HB3' ' HD1' ' A' ' 454' ' ' TYR . 1.3 t-20 -89.92 145.72 24.92 Favored 'General case' 0 C--N 1.311 -1.086 0 O-C-N 121.813 -0.554 . . . . 15.0 110.583 -178.58 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -108.09 1.69 22.5 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 114.974 -1.012 . . . . 15.0 111.468 -163.253 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 73.1 ttt180 -94.11 -64.31 1.09 Allowed 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.346 -0.843 . . . . 15.0 109.234 174.349 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -98.47 -3.9 35.65 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 114.597 -1.183 . . . . 15.0 110.697 -177.56 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . 0.962 ' HA ' ' O ' ' A' ' 449' ' ' ASN 0.258 2.3 pp 49.46 98.82 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 123.283 1.516 . . . . 15.0 114.239 179.866 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 454' ' ' TYR . . . . . 1.089 ' HD1' ' HB3' ' A' ' 449' ' ' ASN . 34.7 m-85 -120.27 150.14 41.18 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 112.631 -2.077 . . . . 15.0 108.305 -178.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 13.8 p -126.08 95.82 4.53 Favored 'General case' 0 C--N 1.315 -0.926 0 C-N-CA 119.782 -0.767 . . . . 15.0 109.636 162.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 6.0 t -118.83 122.34 42.14 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.538 -0.755 . . . . 15.0 110.894 -177.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.461 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 67.1 m95 -81.13 0.1 37.76 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.11 -0.95 . . . . 15.0 110.555 177.07 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -114.41 134.45 54.98 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.962 -0.563 . . . . 15.0 110.095 178.114 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 33.0 tttp -62.22 122.86 75.55 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 115.454 -0.794 . . . . 15.0 111.143 -177.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo . . . . . 0 CA--C 1.529 0.267 0 C-N-CA 122.977 2.451 . . . . 15.0 111.761 179.428 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 434' ' ' GLU . . . . . 0.459 ' HB2' ' HG2' ' A' ' 451' ' ' ARG . 1.4 pm0 . . . . . 0 CA--C 1.514 -0.438 0 CA-C-O 120.798 0.332 . . . . 15.0 111.691 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.467 ' HA ' ' HB2' ' A' ' 449' ' ' ASN . 53.5 m95 -89.64 144.76 25.74 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 116.326 -0.397 . . . . 15.0 110.518 -172.663 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 436' ' ' THR . . . . . 0.658 ' HB ' ' O ' ' A' ' 448' ' ' TYR . 1.1 m -123.67 144.18 49.79 Favored 'General case' 0 N--CA 1.417 -2.076 0 C-N-CA 119.888 -0.725 . . . . 15.0 109.496 179.807 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -113.35 132.08 55.72 Favored 'General case' 0 C--N 1.31 -1.138 0 CA-C-O 121.406 0.622 . . . . 15.0 111.201 177.234 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 46.8 m-85 -126.75 150.08 49.28 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.617 -0.72 . . . . 15.0 110.046 177.105 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 0.702 ' HE3' HG21 ' A' ' 445' ' ' THR . 4.2 mptt -121.41 150.15 41.95 Favored 'General case' 0 CA--C 1.504 -0.808 0 CA-C-O 122.297 1.046 . . . . 15.0 112.147 175.334 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 440' ' ' THR . . . . . 0.505 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 71.5 p -93.78 150.83 20.06 Favored 'General case' 0 C--N 1.307 -1.26 0 CA-C-N 113.243 -1.799 . . . . 15.0 107.91 169.337 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -50.98 -22.51 2.32 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 112.533 0.568 . . . . 15.0 112.533 177.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . 0.443 ' OD2' ' HG3' ' A' ' 444' ' ' LYS . 3.4 p-10 -87.86 -0.42 56.95 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 120.959 0.409 . . . . 15.0 111.171 178.122 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.61 30.04 12.57 Favored Glycine 0 N--CA 1.448 -0.524 0 CA-C-N 115.995 -0.548 . . . . 15.0 113.045 171.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.61 ' O ' ' HA ' ' A' ' 439' ' ' LYS . 62.4 mttp -77.49 115.63 17.41 Favored 'General case' 0 CA--C 1.504 -0.812 0 N-CA-C 110.321 -0.251 . . . . 15.0 110.321 171.327 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 445' ' ' THR . . . . . 0.702 HG21 ' HE3' ' A' ' 439' ' ' LYS . 17.4 m -99.81 89.42 4.09 Favored 'General case' 0 N--CA 1.435 -1.207 0 C-N-CA 119.952 -0.699 . . . . 15.0 109.132 174.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . 0.616 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 17.3 p90 -104.21 145.4 30.26 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.395 -0.82 . . . . 15.0 110.107 173.649 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -101.52 108.86 20.55 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 121.581 0.705 . . . . 15.0 111.502 -175.255 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . 0.826 ' HA ' ' O ' ' A' ' 454' ' ' TYR . 39.2 t80 -101.88 110.21 22.14 Favored 'General case' 0 C--O 1.213 -0.846 0 CA-C-N 114.55 -1.204 . . . . 15.0 108.69 175.156 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.995 ' HB3' ' CD1' ' A' ' 454' ' ' TYR . 2.0 t-20 -90.02 147.56 23.6 Favored 'General case' 0 C--O 1.206 -1.215 0 O-C-N 122.015 -0.428 . . . . 15.0 110.793 -176.498 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 7.6 p30 -110.28 0.34 18.04 Favored 'General case' 0 N--CA 1.445 -0.703 0 N-CA-C 113.26 0.837 . . . . 15.0 113.26 -160.418 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . 0.479 ' HG3' ' OG1' ' A' ' 452' ' ' THR . 14.3 ptt180 -95.12 -30.82 13.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.457 0.646 . . . . 15.0 109.99 172.563 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 452' ' ' THR . . . . . 0.753 ' HB ' ' CE1' ' A' ' 454' ' ' TYR . 21.9 m -129.93 -8.02 4.44 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.195 -0.911 . . . . 15.0 110.3 -173.697 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . 0.923 ' HA ' ' O ' ' A' ' 449' ' ' ASN . 0.3 OUTLIER 54.76 91.36 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 122.751 1.263 . . . . 15.0 113.129 176.74 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 454' ' ' TYR . . . . . 0.995 ' CD1' ' HB3' ' A' ' 449' ' ' ASN . 16.7 m-85 -113.03 149.42 33.39 Favored 'General case' 0 CA--C 1.51 -0.568 0 CA-C-N 112.933 -1.939 . . . . 15.0 108.427 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 5.1 p -125.98 97.33 5.07 Favored 'General case' 0 C--N 1.313 -0.981 0 N-CA-C 109.465 -0.568 . . . . 15.0 109.465 167.25 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 4.8 t -126.96 124.3 39.16 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.767 -0.651 . . . . 15.0 111.094 -179.283 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.616 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 24.6 m95 -77.29 -7.02 55.29 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.328 -0.851 . . . . 15.0 109.961 173.616 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -103.15 140.85 36.8 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.201 -0.666 . . . . 15.0 109.201 -178.838 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . 0.438 ' HA ' ' HD2' ' A' ' 460' ' ' PRO . 37.9 ttpt -75.72 123.47 88.37 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-O 120.813 0.339 . . . . 15.0 111.686 -173.113 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . 0.438 ' HD2' ' HA ' ' A' ' 459' ' ' LYS . 19.2 Cg_endo . . . . . 0 CA--C 1.531 0.369 0 C-N-CA 123.419 2.746 . . . . 15.0 112.797 178.029 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.818 0 N-CA-C 112.089 -0.405 . . . . 15.0 112.089 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -77.43 76.36 3.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.134 0.493 . . . . 15.0 111.462 -177.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 3.6 m -120.64 21.76 11.42 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.844 -0.616 . . . . 15.0 109.5 177.231 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . 61.84 92.7 0.05 Allowed 'General case' 0 C--O 1.232 0.147 0 CA-C-N 115.35 -0.841 . . . . 15.0 111.092 -176.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . 0.596 ' HB ' ' HG2' ' A' ' 434' ' ' GLU . 15.7 m -117.52 134.27 61.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.829 -0.623 . . . . 15.0 111.176 -177.512 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 44.4 t -90.05 3.21 53.95 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.909 -0.587 . . . . 15.0 110.783 -179.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . 0.721 ' HB2' ' HG2' ' A' ' 451' ' ' ARG . 10.0 pt-20 -68.85 -26.75 65.31 Favored 'General case' 0 CA--C 1.51 -0.572 0 CA-C-O 121.015 0.435 . . . . 15.0 111.068 178.663 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.52 ' HA ' ' HB2' ' A' ' 449' ' ' ASN . 31.2 m95 -89.63 139.84 30.15 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.668 -0.696 . . . . 15.0 109.368 -176.596 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 436' ' ' THR . . . . . 0.722 ' HB ' ' O ' ' A' ' 448' ' ' TYR . 1.1 m -120.58 140.26 51.78 Favored 'General case' 0 N--CA 1.413 -2.312 0 C-N-CA 119.382 -0.927 . . . . 15.0 109.315 -178.233 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -108.29 130.92 55.16 Favored 'General case' 0 C--N 1.309 -1.165 0 C-N-CA 119.835 -0.746 . . . . 15.0 111.101 173.778 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -122.97 150.06 43.47 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.978 -0.556 . . . . 15.0 110.132 177.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 0.954 ' HE3' ' HA2' ' A' ' 443' ' ' GLY . 31.4 tttp -121.93 142.18 50.55 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 116.079 -0.51 . . . . 15.0 109.84 176.256 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 440' ' ' THR . . . . . 0.685 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 3.0 p -98.8 147.36 24.99 Favored 'General case' 0 N--CA 1.435 -1.193 0 N-CA-C 105.3 -2.111 . . . . 15.0 105.3 164.234 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -69.56 0.04 5.96 Favored 'General case' 0 C--N 1.317 -0.814 0 C-N-CA 120.008 -0.677 . . . . 15.0 112.286 -166.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . 0.46 ' CG ' ' HZ1' ' A' ' 444' ' ' LYS . 2.9 p-10 -83.4 0.43 46.09 Favored 'General case' 0 C--N 1.333 -0.128 0 N-CA-C 108.903 -0.777 . . . . 15.0 108.903 171.348 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . 0.954 ' HA2' ' HE3' ' A' ' 439' ' ' LYS . . . 90.05 30.07 13.65 Favored Glycine 0 N--CA 1.439 -1.117 0 CA-C-N 114.888 -1.051 . . . . 15.0 112.544 174.394 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.685 ' HB2' ' OG1' ' A' ' 440' ' ' THR . 29.5 mtmm -96.34 107.19 19.53 Favored 'General case' 0 CA--C 1.498 -1.026 0 CA-C-O 120.956 0.408 . . . . 15.0 110.79 173.71 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 1.8 m -100.47 89.27 3.89 Favored 'General case' 0 C--N 1.309 -1.157 0 N-CA-C 108.673 -0.862 . . . . 15.0 108.673 176.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . 0.602 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 10.8 p90 -98.5 149.19 22.98 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.44 -0.8 . . . . 15.0 110.637 176.014 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -97.55 116.11 29.14 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.795 0.807 . . . . 15.0 111.744 -175.085 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . 0.895 ' HA ' ' O ' ' A' ' 454' ' ' TYR . 71.4 t80 -112.34 111.21 21.91 Favored 'General case' 0 N--CA 1.44 -0.927 0 CA-C-N 114.346 -1.297 . . . . 15.0 108.572 173.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 1.098 ' HB3' ' HD1' ' A' ' 454' ' ' TYR . 1.3 t-20 -89.62 146.66 24.39 Favored 'General case' 0 CA--C 1.493 -1.248 0 O-C-N 122.03 -0.419 . . . . 15.0 110.093 -177.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -110.02 2.12 19.41 Favored 'General case' 0 N--CA 1.441 -0.88 0 N-CA-C 113.298 0.851 . . . . 15.0 113.298 -158.206 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . 0.721 ' HG2' ' HB2' ' A' ' 434' ' ' GLU . 3.8 ptm180 -105.64 -25.72 12.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.144 0.497 . . . . 15.0 110.636 173.483 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 452' ' ' THR . . . . . 0.668 ' HB ' ' CE1' ' A' ' 454' ' ' TYR . 4.1 m -125.44 -10.3 6.89 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.748 -0.66 . . . . 15.0 109.926 -178.821 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . 0.927 ' HA ' ' O ' ' A' ' 449' ' ' ASN 0.262 2.5 pp 53.45 93.1 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 123.446 1.593 . . . . 15.0 113.804 177.514 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 454' ' ' TYR . . . . . 1.098 ' HD1' ' HB3' ' A' ' 449' ' ' ASN . 50.7 m-85 -115.55 133.78 55.7 Favored 'General case' 0 CA--C 1.509 -0.604 0 CA-C-N 112.392 -2.185 . . . . 15.0 108.973 -178.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 13.2 p -107.26 101.08 10.49 Favored 'General case' 0 C--N 1.314 -0.936 0 C-N-CA 119.717 -0.793 . . . . 15.0 109.366 164.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 9.8 t -130.85 126.49 36.36 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-O 121.899 0.857 . . . . 15.0 111.485 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.677 ' CZ3' ' HD2' ' A' ' 444' ' ' LYS . 47.0 m95 -82.92 -0.14 47.04 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 114.725 -1.125 . . . . 15.0 109.995 174.019 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -101.97 144.91 29.99 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.665 -0.698 . . . . 15.0 110.26 -177.608 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 30.3 tttm -89.05 112.46 51.09 Favored Pre-proline 0 C--N 1.322 -0.625 0 CA-C-N 115.857 -0.611 . . . . 15.0 109.526 -176.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . 0.609 ' HG2' ' HB2' ' A' ' 463' ' ' LEU . 31.0 Cg_endo -67.19 168.22 18.15 Favored 'Trans proline' 0 C--O 1.225 -0.145 0 C-N-CA 123.246 2.631 . . . . 15.0 111.817 -174.242 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . 0.791 ' HA ' ' HE2' ' A' ' 464' ' ' LYS . 27.2 tp60 -66.27 -28.63 68.86 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.902 0.382 . . . . 15.0 111.07 -176.396 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -83.3 -6.23 59.4 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.005 0.431 . . . . 15.0 111.338 178.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . 0.609 ' HB2' ' HG2' ' A' ' 460' ' ' PRO . 40.0 mt -124.24 13.34 8.94 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.764 -0.653 . . . . 15.0 109.908 176.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . 0.791 ' HE2' ' HA ' ' A' ' 461' ' ' GLN . 11.9 tppt? . . . . . 0 C--O 1.248 0.99 0 CA-C-O 118.515 -0.755 . . . . 15.0 111.095 -170.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.534 0 N-CA-C 111.812 -0.515 . . . . 15.0 111.812 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -82.97 155.26 24.09 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.821 0.343 . . . . 15.0 110.766 -179.3 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 6.8 t -70.69 -44.98 65.88 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.024 -0.535 . . . . 15.0 112.142 -174.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -120.67 -69.58 0.83 Allowed 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.815 -0.354 . . . . 15.0 111.234 -175.402 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 18.3 m -77.99 118.88 25.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.146 0.498 . . . . 15.0 110.548 -179.515 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 30.0 t -89.97 11.56 20.15 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.042 0.448 . . . . 15.0 110.863 -174.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . 0.663 ' HB2' ' HG2' ' A' ' 451' ' ' ARG . 13.2 pt-20 -74.23 -29.99 61.96 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-O 120.933 0.397 . . . . 15.0 111.285 -179.687 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.44 ' CD1' ' HG3' ' A' ' 434' ' ' GLU . 35.5 m95 -89.78 139.78 30.24 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 116.079 -0.509 . . . . 15.0 110.004 -174.326 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 436' ' ' THR . . . . . 0.645 ' HB ' ' O ' ' A' ' 448' ' ' TYR . 1.1 m -123.83 143.41 50.35 Favored 'General case' 0 N--CA 1.417 -2.088 0 C-N-CA 119.771 -0.772 . . . . 15.0 109.67 -178.834 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -111.5 131.21 55.39 Favored 'General case' 0 C--N 1.31 -1.116 0 CA-C-O 121.495 0.664 . . . . 15.0 110.697 173.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -129.57 150.3 50.96 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.331 -0.849 . . . . 15.0 110.622 -178.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 0.501 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 55.6 tttt -124.51 137.57 54.41 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 115.314 -0.857 . . . . 15.0 109.606 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 440' ' ' THR . . . . . 0.728 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 2.2 p -90.3 149.39 22.36 Favored 'General case' 0 N--CA 1.437 -1.123 0 N-CA-C 105.228 -2.138 . . . . 15.0 105.228 164.121 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -69.07 -2.45 10.13 Favored 'General case' 0 C--N 1.312 -1.056 0 C-N-CA 120.1 -0.64 . . . . 15.0 112.193 -168.211 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -84.29 -1.8 55.93 Favored 'General case' 0 CA--C 1.528 0.113 0 N-CA-C 109.01 -0.737 . . . . 15.0 109.01 172.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . 0.48 ' HA2' ' HE2' ' A' ' 439' ' ' LYS . . . 90.81 25.16 25.79 Favored Glycine 0 N--CA 1.441 -0.993 0 CA-C-N 114.639 -1.164 . . . . 15.0 113.25 173.323 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.728 ' HB2' ' OG1' ' A' ' 440' ' ' THR . 40.6 mttp -84.3 104.62 14.48 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 109.854 -0.424 . . . . 15.0 109.854 168.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 7.2 m -95.94 89.22 5.15 Favored 'General case' 0 N--CA 1.437 -1.107 0 C-N-CA 119.224 -0.99 . . . . 15.0 108.824 173.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . 0.568 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 27.2 p90 -94.41 150.01 20.68 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.439 -0.8 . . . . 15.0 110.171 172.796 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 79.3 m-85 -100.73 108.09 19.84 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.692 0.758 . . . . 15.0 111.371 -175.053 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . 0.85 ' HA ' ' O ' ' A' ' 454' ' ' TYR . 38.5 t80 -102.82 112.98 26.03 Favored 'General case' 0 C--O 1.212 -0.917 0 CA-C-N 114.306 -1.315 . . . . 15.0 109.234 178.332 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 1.028 ' HB3' ' CD1' ' A' ' 454' ' ' TYR . 1.3 t-20 -89.89 148.01 23.41 Favored 'General case' 0 CA--C 1.493 -1.219 0 O-C-N 121.941 -0.474 . . . . 15.0 110.078 -179.575 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -110.89 -1.11 16.6 Favored 'General case' 0 N--CA 1.444 -0.74 0 N-CA-C 113.621 0.971 . . . . 15.0 113.621 -157.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . 0.663 ' HG2' ' HB2' ' A' ' 434' ' ' GLU . 3.6 ptm180 -101.61 -32.28 10.43 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.194 -0.603 . . . . 15.0 110.397 172.638 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 452' ' ' THR . . . . . 0.687 ' HB ' ' CE1' ' A' ' 454' ' ' TYR . 10.1 m -118.23 -10.85 10.18 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.881 -0.6 . . . . 15.0 110.308 -178.521 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . 0.969 ' HA ' ' O ' ' A' ' 449' ' ' ASN . 0.3 OUTLIER 53.91 96.83 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 122.96 1.362 . . . . 15.0 113.546 178.25 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 454' ' ' TYR . . . . . 1.028 ' CD1' ' HB3' ' A' ' 449' ' ' ASN . 36.0 m-85 -116.83 143.86 45.18 Favored 'General case' 0 CA--C 1.51 -0.589 0 CA-C-N 112.764 -2.016 . . . . 15.0 108.831 -179.697 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 3.8 p -119.29 94.65 4.5 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-O 121.232 0.539 . . . . 15.0 109.904 165.288 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 4.1 t -117.75 125.37 50.51 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.48 0.657 . . . . 15.0 110.647 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.568 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 63.4 m95 -82.65 -8.22 59.61 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.95 -1.023 . . . . 15.0 110.399 178.401 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -104.69 133.03 50.21 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.44 -0.948 . . . . 15.0 108.44 177.039 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 19.9 ttmm -56.56 120.72 38.64 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 123.504 0.503 . . . . 15.0 110.007 -179.055 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . 0.618 ' HD2' HD13 ' A' ' 463' ' ' LEU . 22.2 Cg_endo -61.77 155.13 56.12 Favored 'Trans proline' 0 N--CA 1.462 -0.377 0 C-N-CA 122.19 1.926 . . . . 15.0 111.033 -174.367 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 17.7 mm-40 -66.78 -18.21 65.26 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.55 -0.295 . . . . 15.0 111.502 -170.094 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . 0.529 ' OE2' ' HB2' ' A' ' 460' ' ' PRO . 1.9 pm0 -87.24 -13.6 43.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.661 0.267 . . . . 15.0 111.624 176.797 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . 0.618 HD13 ' HD2' ' A' ' 460' ' ' PRO . 29.4 mt -91.11 -10.25 42.64 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.624 -0.51 . . . . 15.0 109.624 173.122 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 52.8 mttp . . . . . 0 C--O 1.245 0.83 0 CA-C-O 118.608 -0.711 . . . . 15.0 109.653 174.023 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.54 0 N-CA-C 111.787 -0.525 . . . . 15.0 111.787 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -72.35 121.31 19.27 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.718 0.294 . . . . 15.0 110.678 179.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 35.4 m -86.53 89.68 7.98 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.326 0.584 . . . . 15.0 110.25 -179.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -121.47 -50.17 2.11 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.519 -0.764 . . . . 15.0 109.971 177.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 30.3 m -87.78 158.0 3.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.56 -0.746 . . . . 15.0 110.214 176.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 40.2 t -129.19 -11.58 4.65 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.976 0.417 . . . . 15.0 110.544 -178.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . 0.528 ' HB2' ' HG2' ' A' ' 451' ' ' ARG . 2.0 pm0 -78.51 -27.42 46.06 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.113 -0.494 . . . . 15.0 111.303 179.785 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.44 ' HA ' ' HB2' ' A' ' 449' ' ' ASN . 35.0 m95 -89.62 150.09 22.53 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 115.961 -0.563 . . . . 15.0 110.053 -172.704 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 436' ' ' THR . . . . . 0.557 ' HB ' ' O ' ' A' ' 448' ' ' TYR . 1.1 m -132.62 144.33 50.29 Favored 'General case' 0 N--CA 1.418 -2.065 0 C-N-CA 119.814 -0.755 . . . . 15.0 110.035 178.122 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . 0.424 ' O ' ' HG2' ' A' ' 437' ' ' GLU . 1.3 pm0 -110.28 126.6 54.36 Favored 'General case' 0 C--N 1.312 -1.031 0 CA-C-O 121.649 0.738 . . . . 15.0 110.691 170.605 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -119.56 150.3 40.5 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.492 -0.776 . . . . 15.0 110.225 179.269 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 0.489 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 2.2 mppt? -119.14 145.44 45.96 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 122.044 0.926 . . . . 15.0 112.086 179.701 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 440' ' ' THR . . . . . 0.459 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 67.3 p -89.81 150.93 22.04 Favored 'General case' 0 C--N 1.309 -1.185 0 CA-C-N 113.586 -1.643 . . . . 15.0 107.324 168.075 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -47.07 -26.88 1.17 Allowed 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 112.936 0.717 . . . . 15.0 112.936 178.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -88.4 -0.69 57.46 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-O 121.101 0.477 . . . . 15.0 111.474 178.178 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.01 30.32 13.11 Favored Glycine 0 CA--C 1.502 -0.779 0 CA-C-N 116.099 -0.5 . . . . 15.0 112.919 170.35 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.489 ' O ' ' HA ' ' A' ' 439' ' ' LYS . 64.9 mttm -71.72 103.17 2.99 Favored 'General case' 0 CA--C 1.502 -0.873 0 N-CA-C 109.117 -0.697 . . . . 15.0 109.117 168.057 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 13.2 m -89.88 89.31 7.68 Favored 'General case' 0 N--CA 1.431 -1.404 0 C-N-CA 119.245 -0.982 . . . . 15.0 108.526 173.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . 0.561 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 7.5 p90 -102.6 143.76 31.87 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.688 -0.687 . . . . 15.0 110.078 172.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -92.62 99.91 12.53 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 121.83 0.824 . . . . 15.0 111.528 -174.083 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . 0.783 ' HA ' ' O ' ' A' ' 454' ' ' TYR . 43.4 t80 -96.69 111.97 23.91 Favored 'General case' 0 N--CA 1.443 -0.81 0 CA-C-N 114.439 -1.255 . . . . 15.0 108.829 174.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.969 ' HB3' ' CD1' ' A' ' 454' ' ' TYR . 1.6 t-20 -89.72 145.98 24.83 Favored 'General case' 0 CA--C 1.491 -1.302 0 O-C-N 121.825 -0.547 . . . . 15.0 110.292 -179.364 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -109.97 -1.31 17.75 Favored 'General case' 0 N--CA 1.444 -0.759 0 N-CA-C 113.135 0.791 . . . . 15.0 113.135 -159.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . 0.535 ' HG3' ' N ' ' A' ' 452' ' ' THR . 7.9 ptt180 -91.52 -34.56 14.73 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.532 0.682 . . . . 15.0 109.837 172.689 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 452' ' ' THR . . . . . 0.752 ' HB ' ' CE1' ' A' ' 454' ' ' TYR . 26.4 m -126.26 -11.35 6.37 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.067 -0.97 . . . . 15.0 110.144 -172.522 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . 0.919 ' HA ' ' O ' ' A' ' 449' ' ' ASN 0.256 0.3 OUTLIER 56.61 92.91 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 122.734 1.254 . . . . 15.0 113.059 178.218 . . . . . . . . 4 4 . 1 . 003 nuclear orig full ' A' A ' 454' ' ' TYR . . . . . 0.969 ' CD1' ' HB3' ' A' ' 449' ' ' ASN . 22.0 m-85 -113.3 134.24 54.71 Favored 'General case' 0 CA--C 1.512 -0.493 0 CA-C-N 112.803 -1.999 . . . . 15.0 108.905 -179.059 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 3.4 p -105.97 98.71 8.36 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.682 -0.488 . . . . 15.0 109.682 167.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 4.5 t -130.2 124.78 33.36 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.671 0.748 . . . . 15.0 111.02 179.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.561 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 29.4 m95 -86.9 -5.88 58.96 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 114.976 -1.011 . . . . 15.0 109.296 175.047 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -92.27 136.56 33.1 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.008 -0.996 . . . . 15.0 109.453 175.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . 0.631 ' HE2' ' O ' ' A' ' 463' ' ' LEU . 56.3 tttt -77.96 118.95 75.37 Favored Pre-proline 0 C--N 1.321 -0.632 0 N-CA-C 109.326 -0.62 . . . . 15.0 109.326 -179.261 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . 0.532 ' CG ' HD13 ' A' ' 463' ' ' LEU . 25.8 Cg_endo -67.91 159.54 52.42 Favored 'Trans proline' 0 N--CA 1.461 -0.427 0 C-N-CA 122.208 1.939 . . . . 15.0 111.87 -173.485 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 53.2 mm-40 -66.47 -16.17 63.92 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.156 -0.475 . . . . 15.0 111.517 -173.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . 0.482 ' OE1' ' HB2' ' A' ' 460' ' ' PRO . 1.9 pm0 -93.43 -2.4 54.64 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.376 -0.374 . . . . 15.0 111.631 178.202 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . 0.631 ' O ' ' HE2' ' A' ' 459' ' ' LYS . 12.5 mt -118.9 3.13 11.58 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.642 -0.254 . . . . 15.0 111.463 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . 0.815 ' HA ' ' HE2' ' A' ' 464' ' ' LYS . 9.3 mmpt? . . . . . 0 C--O 1.248 0.985 0 O-C-N 123.594 0.559 . . . . 15.0 112.359 -174.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.818 0 N-CA-C 111.845 -0.502 . . . . 15.0 111.845 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -135.23 128.1 31.28 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.895 0.347 . . . . 15.0 111.074 -177.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 9.2 m -84.75 98.55 10.32 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.092 -0.707 . . . . 15.0 109.092 175.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -111.84 119.27 37.99 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 120.988 0.423 . . . . 15.0 111.993 -171.56 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 5.3 m -106.06 66.82 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 121.885 0.85 . . . . 15.0 109.527 173.162 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 10.6 t -90.75 12.61 18.64 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.122 -0.944 . . . . 15.0 110.336 -172.531 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . 0.471 ' HG3' ' CD1' ' A' ' 435' ' ' TRP . 6.9 pt-20 -69.4 -17.71 63.69 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-N 115.888 -0.596 . . . . 15.0 111.388 177.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.501 ' HA ' ' HB2' ' A' ' 449' ' ' ASN . 43.8 m95 -89.56 147.43 23.95 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.976 -0.556 . . . . 15.0 110.406 -170.724 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 436' ' ' THR . . . . . 0.67 ' HB ' ' O ' ' A' ' 448' ' ' TYR . 1.1 m -124.77 140.5 52.87 Favored 'General case' 0 N--CA 1.42 -1.93 0 N-CA-C 108.804 -0.813 . . . . 15.0 108.804 179.794 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -110.45 132.17 54.41 Favored 'General case' 0 C--N 1.309 -1.166 0 C-N-CA 119.935 -0.706 . . . . 15.0 110.864 176.749 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -123.94 150.29 44.92 Favored 'General case' 0 CA--C 1.512 -0.506 0 CA-C-N 115.558 -0.747 . . . . 15.0 110.481 178.124 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 0.636 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 0.0 OUTLIER -120.51 145.81 46.92 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 115.229 -0.896 . . . . 15.0 110.905 172.704 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 440' ' ' THR . . . . . 0.423 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 63.9 p -89.79 150.98 22.03 Favored 'General case' 0 C--N 1.307 -1.266 0 N-CA-C 107.061 -1.459 . . . . 15.0 107.061 167.14 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -45.13 -33.03 2.02 Favored 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 112.413 0.523 . . . . 15.0 112.413 178.02 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -81.34 -0.6 41.85 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-O 120.934 0.397 . . . . 15.0 111.669 179.067 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.32 30.33 12.54 Favored Glycine 0 CA--C 1.503 -0.668 0 CA-C-N 116.366 -0.379 . . . . 15.0 113.004 170.438 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.636 ' O ' ' HA ' ' A' ' 439' ' ' LYS . 48.0 mttm -73.99 108.33 6.74 Favored 'General case' 0 CA--C 1.503 -0.859 0 N-CA-C 109.487 -0.56 . . . . 15.0 109.487 169.523 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 18.7 m -93.57 89.37 6.23 Favored 'General case' 0 N--CA 1.435 -1.187 0 C-N-CA 119.213 -0.995 . . . . 15.0 108.782 174.088 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . 0.526 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 26.8 p90 -104.7 147.76 27.32 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.611 -0.722 . . . . 15.0 110.071 172.715 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -102.14 112.86 25.68 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-O 121.625 0.726 . . . . 15.0 111.518 -174.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . 0.744 ' HA ' ' O ' ' A' ' 454' ' ' TYR . 63.2 t80 -108.39 112.68 25.23 Favored 'General case' 0 C--O 1.214 -0.812 0 CA-C-N 114.587 -1.188 . . . . 15.0 108.647 174.468 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 1.0 ' HB3' ' CD1' ' A' ' 454' ' ' TYR . 2.1 t-20 -90.01 149.66 22.45 Favored 'General case' 0 CA--C 1.495 -1.141 0 O-C-N 122.13 -0.356 . . . . 15.0 110.475 -177.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -113.4 -2.81 13.86 Favored 'General case' 0 N--CA 1.445 -0.702 0 O-C-N 124.231 0.957 . . . . 15.0 112.294 -160.466 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 26.1 ttp180 -93.82 -42.23 9.22 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.611 0.72 . . . . 15.0 109.918 173.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 452' ' ' THR . . . . . 0.43 ' O ' ' HG ' ' A' ' 453' ' ' LEU . 0.0 OUTLIER -116.8 -7.92 11.42 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 114.992 -1.004 . . . . 15.0 110.734 -176.403 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . 0.978 ' HA ' ' O ' ' A' ' 449' ' ' ASN 0.257 2.1 pp 52.36 100.12 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 123.122 1.439 . . . . 15.0 113.983 -179.567 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 454' ' ' TYR . . . . . 1.0 ' CD1' ' HB3' ' A' ' 449' ' ' ASN . 26.2 m-85 -121.54 148.67 44.18 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-N 112.857 -1.974 . . . . 15.0 108.77 -179.03 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 13.2 p -123.69 103.68 8.54 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 109.979 -0.378 . . . . 15.0 109.979 166.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 5.5 t -135.07 123.54 23.37 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.339 0.59 . . . . 15.0 111.215 -178.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.526 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 45.5 m95 -75.49 -16.77 60.26 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.451 -0.795 . . . . 15.0 110.18 173.801 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -84.72 139.42 32.01 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.463 -0.79 . . . . 15.0 109.917 176.315 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 24.5 tttm -71.88 121.32 84.23 Favored Pre-proline 0 C--N 1.323 -0.58 0 N-CA-C 109.214 -0.661 . . . . 15.0 109.214 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . 0.568 ' HB2' ' HB2' ' A' ' 463' ' ' LEU . 82.0 Cg_exo -44.96 147.3 2.03 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 124.27 3.313 . . . . 15.0 113.994 -175.571 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . 0.6 HE21 ' HA ' ' A' ' 461' ' ' GLN . 0.0 OUTLIER -60.56 -28.32 68.36 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.748 -0.66 . . . . 15.0 110.703 177.664 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . 0.408 ' H ' ' CD ' ' A' ' 462' ' ' GLU . 1.7 pm0 -94.45 3.23 55.43 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.914 -0.585 . . . . 15.0 111.136 179.732 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . 0.568 ' HB2' ' HB2' ' A' ' 460' ' ' PRO . 7.2 mp -125.05 14.16 8.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 15.0 110.776 177.112 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt . . . . . 0 C--O 1.248 0.987 0 CA-C-O 118.511 -0.757 . . . . 15.0 111.07 -179.647 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.851 0 N-CA-C 111.914 -0.474 . . . . 15.0 111.914 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . 63.92 95.44 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 121.363 0.602 . . . . 15.0 111.679 -178.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 48.1 m -127.65 -53.9 1.34 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.956 -0.565 . . . . 15.0 110.569 178.279 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -106.92 -32.53 7.86 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.16 -0.473 . . . . 15.0 110.378 176.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 28.5 m -74.49 137.82 22.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 15.0 110.899 178.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 12.7 t -137.08 10.11 3.03 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.307 0.575 . . . . 15.0 109.98 -178.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . 0.465 ' HG3' ' CD1' ' A' ' 435' ' ' TRP . 9.5 pt-20 -76.41 -24.98 54.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.475 -0.784 . . . . 15.0 112.146 -177.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.495 ' HA ' ' HB2' ' A' ' 449' ' ' ASN . 42.5 m95 -89.76 140.71 29.32 Favored 'General case' 0 C--N 1.319 -0.761 0 N-CA-C 109.7 -0.482 . . . . 15.0 109.7 -173.764 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 436' ' ' THR . . . . . 0.748 ' HB ' ' O ' ' A' ' 448' ' ' TYR . 1.1 m -119.27 139.49 51.83 Favored 'General case' 0 N--CA 1.416 -2.156 0 N-CA-C 108.334 -0.987 . . . . 15.0 108.334 -177.608 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -109.94 133.45 53.16 Favored 'General case' 0 C--N 1.311 -1.107 0 C-N-CA 119.668 -0.813 . . . . 15.0 111.695 178.567 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -126.08 150.31 48.26 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-N 115.777 -0.647 . . . . 15.0 110.746 178.202 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 0.619 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 0.0 OUTLIER -122.89 146.29 47.71 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 115.318 -0.855 . . . . 15.0 110.882 171.283 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 440' ' ' THR . . . . . 0.475 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 81.9 p -89.98 150.95 21.91 Favored 'General case' 0 C--N 1.308 -1.205 0 N-CA-C 107.429 -1.323 . . . . 15.0 107.429 166.655 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -47.86 -24.04 0.9 Allowed 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 112.802 0.667 . . . . 15.0 112.802 177.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -87.4 -1.01 57.62 Favored 'General case' 0 N--CA 1.468 0.439 0 O-C-N 121.992 -0.443 . . . . 15.0 111.598 177.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.52 29.88 13.09 Favored Glycine 0 CA--C 1.504 -0.61 0 CA-C-N 116.36 -0.382 . . . . 15.0 112.937 171.178 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.619 ' O ' ' HA ' ' A' ' 439' ' ' LYS . 63.3 mttp -75.74 104.64 6.38 Favored 'General case' 0 CA--C 1.505 -0.756 0 N-CA-C 109.916 -0.401 . . . . 15.0 109.916 169.304 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 23.9 m -90.03 89.41 7.69 Favored 'General case' 0 N--CA 1.438 -1.069 0 C-N-CA 119.224 -0.991 . . . . 15.0 108.769 173.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . 0.536 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 11.3 p90 -104.42 145.51 30.17 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.607 -0.724 . . . . 15.0 109.815 172.133 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -102.55 113.68 27.26 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-O 121.723 0.773 . . . . 15.0 111.522 -173.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . 0.883 ' HA ' ' O ' ' A' ' 454' ' ' TYR . 57.5 t80 -106.63 109.21 21.06 Favored 'General case' 0 C--O 1.209 -1.076 0 CA-C-N 114.438 -1.255 . . . . 15.0 108.842 176.626 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 1.026 ' HB3' ' CD1' ' A' ' 454' ' ' TYR . 1.5 t-20 -89.91 147.71 23.57 Favored 'General case' 0 CA--C 1.491 -1.313 0 O-C-N 121.839 -0.538 . . . . 15.0 110.881 -176.519 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -110.02 3.27 20.23 Favored 'General case' 0 N--CA 1.445 -0.676 0 N-CA-C 113.129 0.789 . . . . 15.0 113.129 -159.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . 0.439 ' HG3' ' OG1' ' A' ' 452' ' ' THR . 16.8 ptm180 -101.14 -30.63 11.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.281 0.562 . . . . 15.0 110.015 171.799 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 452' ' ' THR . . . . . 0.78 ' HB ' ' CE1' ' A' ' 454' ' ' TYR . 4.9 m -124.27 -9.11 7.56 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.384 -0.825 . . . . 15.0 110.344 -176.301 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . 0.909 ' HA ' ' O ' ' A' ' 449' ' ' ASN 0.254 0.2 OUTLIER 53.2 88.83 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 122.787 1.279 . . . . 15.0 113.155 177.998 . . . . . . . . 4 4 . 1 . 005 nuclear orig full ' A' A ' 454' ' ' TYR . . . . . 1.026 ' CD1' ' HB3' ' A' ' 449' ' ' ASN . 46.7 m-85 -109.9 138.06 46.8 Favored 'General case' 0 CA--C 1.507 -0.705 0 CA-C-N 112.686 -2.052 . . . . 15.0 109.168 -179.031 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 3.8 p -113.28 105.19 13.12 Favored 'General case' 0 C--N 1.314 -0.935 0 N-CA-C 109.36 -0.607 . . . . 15.0 109.36 164.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 9.1 t -137.55 124.77 21.71 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.308 0.575 . . . . 15.0 110.744 179.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.54 ' CZ3' ' HD3' ' A' ' 444' ' ' LYS . 36.6 m95 -74.4 -6.48 48.45 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.623 -0.717 . . . . 15.0 110.994 175.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -101.23 143.64 31.06 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.999 0.428 . . . . 15.0 110.677 -176.159 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . 0.802 ' HD3' ' HA ' ' A' ' 464' ' ' LYS . 33.7 ttmt -82.79 118.6 72.33 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 115.792 -0.64 . . . . 15.0 110.261 179.508 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . 0.64 ' HB2' ' OE2' ' A' ' 462' ' ' GLU . 58.1 Cg_endo -71.99 171.22 17.11 Favored 'Trans proline' 0 C--O 1.235 0.338 0 C-N-CA 122.891 2.394 . . . . 15.0 112.735 -177.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . 0.711 HE21 ' HA ' ' A' ' 461' ' ' GLN . 0.0 OUTLIER -68.41 -24.26 64.73 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.646 -0.706 . . . . 15.0 112.686 -170.705 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . 0.64 ' OE2' ' HB2' ' A' ' 460' ' ' PRO . 1.4 pm0 -94.52 -2.07 52.31 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.992 -0.283 . . . . 15.0 111.177 179.271 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 25.5 mt -111.99 7.19 19.76 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.383 -0.372 . . . . 15.0 111.188 177.344 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . 0.802 ' HA ' ' HD3' ' A' ' 459' ' ' LYS . 9.5 mmpt? . . . . . 0 C--O 1.25 1.12 0 CA-C-O 118.552 -0.737 . . . . 15.0 111.138 -179.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.727 0 N-CA-C 111.651 -0.58 . . . . 15.0 111.651 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -142.79 108.67 5.16 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.938 0.399 . . . . 15.0 110.951 -178.037 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 8.4 m -109.76 -39.49 5.09 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.297 0.57 . . . . 15.0 109.827 177.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -127.49 119.04 25.18 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.699 -0.682 . . . . 15.0 110.112 178.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 16.9 m -92.3 127.02 44.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 121.344 0.592 . . . . 15.0 110.784 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 41.6 m -150.25 2.54 0.49 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.767 -0.651 . . . . 15.0 110.772 -179.407 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . 0.503 ' HB2' ' HG2' ' A' ' 451' ' ' ARG . 1.2 pm0 -77.14 -25.72 52.33 Favored 'General case' 0 CA--C 1.512 -0.482 0 CA-C-N 116.359 -0.382 . . . . 15.0 111.705 -173.777 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.475 ' HA ' ' HB2' ' A' ' 449' ' ' ASN . 45.0 m95 -89.46 138.96 31.0 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 116.208 -0.451 . . . . 15.0 109.877 -173.251 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 436' ' ' THR . . . . . 0.778 ' HB ' ' O ' ' A' ' 448' ' ' TYR . 1.1 m -118.26 131.51 56.35 Favored 'General case' 0 N--CA 1.415 -2.202 0 N-CA-C 108.435 -0.95 . . . . 15.0 108.435 -176.728 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.17 130.15 50.28 Favored 'General case' 0 C--N 1.309 -1.156 0 C-N-CA 118.975 -1.09 . . . . 15.0 111.223 177.236 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -122.77 150.11 43.23 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.666 -0.697 . . . . 15.0 110.882 178.096 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 0.739 ' HZ2' ' HB2' ' A' ' 439' ' ' LYS . 0.1 OUTLIER -125.8 145.88 50.03 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.418 -0.81 . . . . 15.0 110.74 173.021 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 440' ' ' THR . . . . . 0.53 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 65.6 p -89.67 150.78 22.2 Favored 'General case' 0 C--N 1.31 -1.135 0 N-CA-C 107.093 -1.447 . . . . 15.0 107.093 167.264 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -46.64 -24.9 0.61 Allowed 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 113.183 0.809 . . . . 15.0 113.183 -179.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . 0.503 ' OD2' ' HG3' ' A' ' 444' ' ' LYS . 7.1 p-10 -85.98 -2.02 57.89 Favored 'General case' 0 N--CA 1.47 0.531 0 O-C-N 122.031 -0.418 . . . . 15.0 111.393 178.012 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.08 30.36 12.89 Favored Glycine 0 CA--C 1.505 -0.583 0 CA-C-N 115.981 -0.554 . . . . 15.0 113.132 171.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.604 ' O ' ' HA ' ' A' ' 439' ' ' LYS . 51.9 mttp -73.46 107.48 5.77 Favored 'General case' 0 CA--C 1.504 -0.794 0 N-CA-C 109.93 -0.396 . . . . 15.0 109.93 169.546 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 445' ' ' THR . . . . . 0.563 HG21 ' HD2' ' A' ' 439' ' ' LYS . 14.0 m -92.47 89.4 6.75 Favored 'General case' 0 N--CA 1.435 -1.203 0 C-N-CA 119.338 -0.945 . . . . 15.0 109.29 176.15 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . 0.607 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 5.4 p90 -105.81 144.05 33.1 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.424 -0.807 . . . . 15.0 110.562 171.691 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -99.26 117.91 34.76 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-O 121.6 0.714 . . . . 15.0 111.405 -175.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . 0.825 ' HA ' ' O ' ' A' ' 454' ' ' TYR . 47.3 t80 -112.75 108.9 18.09 Favored 'General case' 0 C--O 1.209 -1.048 0 CA-C-N 114.539 -1.21 . . . . 15.0 108.502 175.203 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 1.021 ' HB3' ' CD1' ' A' ' 454' ' ' TYR . 2.2 t-20 -90.07 144.93 25.46 Favored 'General case' 0 C--O 1.203 -1.374 0 O-C-N 121.69 -0.631 . . . . 15.0 111.361 -176.636 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -107.11 2.55 24.98 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 115.317 -0.856 . . . . 15.0 113.107 -162.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . 0.556 ' HG3' ' OG1' ' A' ' 452' ' ' THR . 10.8 ptt180 -93.47 -25.96 17.4 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 121.467 0.651 . . . . 15.0 109.77 172.568 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 452' ' ' THR . . . . . 0.759 ' HB ' ' CE1' ' A' ' 454' ' ' TYR . 16.1 m -136.67 -12.76 1.75 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.137 -0.938 . . . . 15.0 110.585 -171.684 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . 0.876 ' HA ' ' O ' ' A' ' 449' ' ' ASN 0.267 0.3 OUTLIER 57.18 86.0 0.08 Allowed 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 122.886 1.326 . . . . 15.0 112.764 179.846 . . . . . . . . 4 4 . 1 . 006 nuclear orig full ' A' A ' 454' ' ' TYR . . . . . 1.021 ' CD1' ' HB3' ' A' ' 449' ' ' ASN . 32.4 m-85 -106.56 146.34 30.77 Favored 'General case' 0 CA--C 1.511 -0.519 0 CA-C-N 112.635 -2.075 . . . . 15.0 108.586 178.36 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 5.7 p -122.34 96.74 5.16 Favored 'General case' 0 C--N 1.319 -0.739 0 C-N-CA 120.535 -0.466 . . . . 15.0 109.876 166.048 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 4.2 t -123.6 123.79 41.36 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.548 0.69 . . . . 15.0 110.93 -178.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.607 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 51.8 m95 -82.91 -0.16 47.11 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.197 -0.91 . . . . 15.0 110.175 175.498 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -108.98 142.4 39.7 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.865 -0.607 . . . . 15.0 109.962 179.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 23.4 ttmm -74.06 121.59 85.55 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.469 -0.332 . . . . 15.0 110.597 -178.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . 0.547 ' HB2' ' OE1' ' A' ' 462' ' ' GLU . 75.0 Cg_endo -77.89 166.78 24.69 Favored 'Trans proline' 0 C--O 1.235 0.347 0 C-N-CA 122.866 2.377 . . . . 15.0 112.655 -179.436 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 25.9 mp0 -63.22 -27.83 69.63 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.212 -0.904 . . . . 15.0 112.626 -172.455 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . 0.547 ' OE1' ' HB2' ' A' ' 460' ' ' PRO . 1.7 pm0 -84.29 -5.51 59.27 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 111.769 0.285 . . . . 15.0 111.769 -178.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . 0.428 HD12 ' CG ' ' A' ' 460' ' ' PRO . 48.8 mt -113.32 -0.6 14.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.598 0.237 . . . . 15.0 111.536 -179.566 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . 0.409 ' HE2' ' HB2' ' A' ' 464' ' ' LYS . 5.7 ptmm? . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.17 -0.919 . . . . 15.0 111.033 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.843 0 N-CA-C 112.27 -0.332 . . . . 15.0 112.27 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -87.35 151.24 23.26 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.968 -0.382 . . . . 15.0 109.968 179.316 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 12.5 p -75.9 102.81 5.69 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.564 -0.289 . . . . 15.0 111.134 -179.541 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . 67.58 175.89 0.26 Allowed 'General case' 0 C--O 1.233 0.215 0 O-C-N 123.862 0.726 . . . . 15.0 111.578 179.035 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 26.8 m -88.38 156.96 3.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.019 -0.537 . . . . 15.0 111.044 -178.301 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 22.0 t -130.94 -10.21 3.85 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.963 -0.562 . . . . 15.0 109.997 177.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . 0.412 ' CB ' ' HD3' ' A' ' 451' ' ' ARG . 1.5 pm0 -66.75 -34.74 78.5 Favored 'General case' 0 CA--C 1.512 -0.496 0 CA-C-N 115.961 -0.563 . . . . 15.0 110.48 175.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.499 ' HA ' ' HB2' ' A' ' 449' ' ' ASN . 43.7 m95 -89.55 138.54 31.37 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.491 -0.777 . . . . 15.0 109.586 -175.162 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 436' ' ' THR . . . . . 0.725 ' HB ' ' O ' ' A' ' 448' ' ' TYR . 1.1 m -120.3 139.48 52.66 Favored 'General case' 0 N--CA 1.417 -2.116 0 C-N-CA 119.432 -0.907 . . . . 15.0 108.931 -177.435 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -110.44 133.79 52.94 Favored 'General case' 0 C--N 1.306 -1.308 0 CA-C-O 121.522 0.677 . . . . 15.0 110.692 176.232 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -129.08 150.14 50.6 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.439 -0.8 . . . . 15.0 110.1 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 0.549 ' HE3' ' OG1' ' A' ' 445' ' ' THR . 3.6 mptt -120.98 150.1 41.64 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-O 122.37 1.081 . . . . 15.0 112.065 174.671 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 440' ' ' THR . . . . . 0.626 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 1.6 p -106.05 150.23 25.95 Favored 'General case' 0 C--N 1.301 -1.513 0 CA-C-N 113.159 -1.837 . . . . 15.0 107.847 167.298 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -57.08 -12.55 2.21 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 113.159 0.8 . . . . 15.0 113.159 -172.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 21.0 p30 -86.57 -0.26 55.78 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.903 0.382 . . . . 15.0 111.107 177.176 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.05 30.24 13.24 Favored Glycine 0 CA--C 1.507 -0.407 0 CA-C-N 115.945 -0.571 . . . . 15.0 112.71 171.265 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.626 ' HB2' ' OG1' ' A' ' 440' ' ' THR . 62.5 mttt -90.73 113.57 25.7 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.4 -0.4 . . . . 15.0 110.521 174.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 445' ' ' THR . . . . . 0.549 ' OG1' ' HE3' ' A' ' 439' ' ' LYS . 4.4 m -96.85 89.57 4.93 Favored 'General case' 0 N--CA 1.437 -1.078 0 C-N-CA 119.619 -0.833 . . . . 15.0 108.863 171.618 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . 0.615 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 21.7 p90 -99.41 144.85 28.05 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 116.052 -0.522 . . . . 15.0 110.191 173.52 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 59.7 m-85 -98.38 114.25 26.52 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.506 0.67 . . . . 15.0 111.838 -173.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . 0.859 ' HA ' ' O ' ' A' ' 454' ' ' TYR . 71.7 t80 -108.25 108.96 20.19 Favored 'General case' 0 C--O 1.211 -0.951 0 CA-C-N 114.464 -1.244 . . . . 15.0 108.482 174.205 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.963 ' HB3' ' CD1' ' A' ' 454' ' ' TYR . 1.6 t-20 -89.7 143.01 27.15 Favored 'General case' 0 CA--C 1.49 -1.362 0 O-C-N 121.837 -0.539 . . . . 15.0 110.705 -177.014 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -105.96 0.71 25.98 Favored 'General case' 0 N--CA 1.442 -0.846 0 CA-C-N 114.899 -1.046 . . . . 15.0 113.134 -162.597 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . 0.498 ' HG2' ' OD1' ' A' ' 449' ' ' ASN . 27.2 ptt180 -92.19 -20.49 21.15 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 121.413 0.625 . . . . 15.0 110.111 174.585 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 452' ' ' THR . . . . . 0.662 ' HB ' ' CE1' ' A' ' 454' ' ' TYR . 57.9 m -148.26 -9.94 0.38 Allowed 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.394 -0.821 . . . . 15.0 110.569 -171.026 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . 0.89 ' HA ' ' O ' ' A' ' 449' ' ' ASN 0.286 3.2 pp 60.01 94.8 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 123.327 1.537 . . . . 15.0 113.417 175.001 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 454' ' ' TYR . . . . . 0.963 ' CD1' ' HB3' ' A' ' 449' ' ' ASN . 18.2 m-85 -118.55 146.09 44.85 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 112.298 -2.228 . . . . 15.0 108.218 -178.772 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 3.4 p -123.77 94.38 4.22 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-O 121.17 0.51 . . . . 15.0 110.208 167.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 3.0 t -122.25 123.07 40.59 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.651 -0.704 . . . . 15.0 110.556 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.615 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 40.7 m95 -80.8 -8.4 59.68 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.491 -0.777 . . . . 15.0 109.857 177.12 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -97.06 141.36 30.3 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.516 -0.765 . . . . 15.0 110.178 179.382 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . 0.635 ' HE2' ' O ' ' A' ' 463' ' ' LEU . 38.2 tttt -72.89 120.15 79.32 Favored Pre-proline 0 C--N 1.322 -0.61 0 CA-C-N 115.42 -0.809 . . . . 15.0 110.353 -177.635 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . 0.599 ' HB2' ' OE2' ' A' ' 462' ' ' GLU . 61.2 Cg_endo -73.86 167.3 27.56 Favored 'Trans proline' 0 N--CA 1.461 -0.394 0 C-N-CA 122.896 2.398 . . . . 15.0 112.053 -177.503 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 7.6 mm-40 -67.07 -28.63 68.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.205 -0.452 . . . . 15.0 111.923 -171.461 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . 0.599 ' OE2' ' HB2' ' A' ' 460' ' ' PRO . 1.4 pm0 -86.19 -2.5 58.42 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.005 0.431 . . . . 15.0 111.068 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . 0.635 ' O ' ' HE2' ' A' ' 459' ' ' LYS . 40.1 mt -117.74 -0.14 11.86 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.325 -0.398 . . . . 15.0 110.232 175.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 21.4 tptt . . . . . 0 C--O 1.249 1.057 0 O-C-N 123.926 0.766 . . . . 15.0 111.313 -173.247 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.941 0 N-CA-C 112.694 -0.162 . . . . 15.0 112.694 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -70.26 105.55 3.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.732 0.301 . . . . 15.0 111.714 -174.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 97.0 m 58.02 -92.43 0.03 OUTLIER 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 115.526 -0.761 . . . . 15.0 111.916 179.052 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . 176.04 138.21 0.06 Allowed 'General case' 0 CA--C 1.52 -0.209 0 N-CA-C 109.681 -0.488 . . . . 15.0 109.681 -176.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 35.5 m -95.89 134.44 33.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 N-CA-C 109.892 -0.41 . . . . 15.0 109.892 175.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 18.9 m -107.08 -1.43 22.06 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 120.876 0.37 . . . . 15.0 111.124 -178.435 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . 0.466 ' HG3' ' CD1' ' A' ' 435' ' ' TRP . 8.7 pt-20 -75.26 -26.23 58.65 Favored 'General case' 0 CA--C 1.51 -0.589 0 CA-C-O 121.084 0.469 . . . . 15.0 110.769 178.639 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.491 ' HA ' ' HB2' ' A' ' 449' ' ' ASN . 45.1 m95 -89.51 141.14 28.85 Favored 'General case' 0 N--CA 1.44 -0.963 0 CA-C-N 115.575 -0.738 . . . . 15.0 109.35 -174.558 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 436' ' ' THR . . . . . 0.659 ' HB ' ' O ' ' A' ' 448' ' ' TYR . 1.1 m -123.35 142.67 50.72 Favored 'General case' 0 N--CA 1.412 -2.343 0 C-N-CA 119.522 -0.871 . . . . 15.0 109.378 -178.551 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 3.5 pm0 -113.32 130.33 56.3 Favored 'General case' 0 C--N 1.309 -1.19 0 CA-C-O 121.634 0.73 . . . . 15.0 111.09 173.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -125.53 150.24 47.6 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.338 -0.846 . . . . 15.0 110.11 177.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 0.564 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 11.8 mptt -118.59 150.1 40.24 Favored 'General case' 0 CA--C 1.503 -0.851 0 CA-C-O 121.963 0.887 . . . . 15.0 111.704 174.737 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 440' ' ' THR . . . . . 0.47 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 66.3 p -91.47 150.76 21.08 Favored 'General case' 0 C--N 1.304 -1.409 0 CA-C-N 113.507 -1.679 . . . . 15.0 107.769 169.315 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -44.61 -30.42 0.91 Allowed 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 112.581 0.586 . . . . 15.0 112.581 175.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -86.16 0.6 53.23 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-O 120.772 0.32 . . . . 15.0 111.579 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.6 29.87 12.94 Favored Glycine 0 CA--C 1.508 -0.384 0 CA-C-N 116.368 -0.378 . . . . 15.0 113.137 169.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.564 ' O ' ' HA ' ' A' ' 439' ' ' LYS . 57.6 mttp -75.97 108.98 9.23 Favored 'General case' 0 CA--C 1.508 -0.661 0 N-CA-C 110.261 -0.274 . . . . 15.0 110.261 172.214 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 31.9 m -91.76 89.53 7.13 Favored 'General case' 0 N--CA 1.438 -1.035 0 C-N-CA 119.538 -0.865 . . . . 15.0 109.096 174.03 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . 0.58 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 20.3 p90 -106.04 146.05 30.62 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.594 -0.73 . . . . 15.0 110.081 173.229 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -99.58 110.66 23.08 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.849 0.833 . . . . 15.0 111.231 -175.105 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . 0.863 ' HA ' ' O ' ' A' ' 454' ' ' TYR . 56.5 t80 -108.23 110.23 21.79 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 114.106 -1.407 . . . . 15.0 108.839 177.147 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.966 ' HB3' ' CD1' ' A' ' 454' ' ' TYR . 1.4 t-20 -89.71 147.4 23.88 Favored 'General case' 0 CA--C 1.494 -1.194 0 O-C-N 122.057 -0.402 . . . . 15.0 110.596 -177.07 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -112.34 6.43 18.79 Favored 'General case' 0 N--CA 1.447 -0.62 0 O-C-N 123.91 0.756 . . . . 15.0 112.853 -159.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . 0.416 ' HG2' ' OD1' ' A' ' 449' ' ' ASN . 12.3 ptm180 -100.54 -26.77 13.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.561 0.696 . . . . 15.0 109.822 171.7 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 452' ' ' THR . . . . . 0.686 ' HB ' ' CE1' ' A' ' 454' ' ' TYR . 39.2 m -136.04 -7.0 2.09 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.089 -0.959 . . . . 15.0 110.347 -173.332 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . 0.912 ' HA ' ' O ' ' A' ' 449' ' ' ASN 0.252 0.3 OUTLIER 54.79 92.11 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 122.96 1.362 . . . . 15.0 113.216 174.534 . . . . . . . . 4 4 . 1 . 008 nuclear orig full ' A' A ' 454' ' ' TYR . . . . . 0.966 ' CD1' ' HB3' ' A' ' 449' ' ' ASN . 32.1 m-85 -113.61 142.18 46.29 Favored 'General case' 0 CA--C 1.508 -0.635 0 CA-C-N 112.538 -2.119 . . . . 15.0 108.8 -178.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 4.4 p -118.25 90.65 3.38 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 121.42 0.629 . . . . 15.0 110.227 168.158 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 3.5 t -117.84 123.16 45.23 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.345 -0.843 . . . . 15.0 110.691 -178.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.58 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 55.0 m95 -81.79 0.22 40.24 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 114.921 -1.036 . . . . 15.0 111.184 179.36 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -120.8 141.02 50.91 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.943 -0.571 . . . . 15.0 110.517 179.323 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 4.0 ttmp? -75.84 121.86 85.87 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.126 -0.488 . . . . 15.0 111.813 -176.017 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . 0.781 ' HG2' ' HB2' ' A' ' 463' ' ' LEU . 46.4 Cg_endo -69.16 154.98 69.27 Favored 'Trans proline' 0 CA--C 1.53 0.32 0 C-N-CA 122.733 2.288 . . . . 15.0 111.296 172.271 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . 0.784 HE21 ' HA ' ' A' ' 461' ' ' GLN . 0.0 OUTLIER -74.67 -21.55 59.35 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.946 0.403 . . . . 15.0 110.927 -173.752 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -82.89 -2.46 54.91 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.034 -0.53 . . . . 15.0 111.391 179.184 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . 0.781 ' HB2' ' HG2' ' A' ' 460' ' ' PRO . 1.5 tt -94.55 -6.54 43.46 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.463 0.649 . . . . 15.0 109.725 179.657 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . 0.417 ' HE2' ' HB2' ' A' ' 464' ' ' LYS . 7.1 ptmm? . . . . . 0 C--O 1.251 1.141 0 CA-C-N 115.928 -0.578 . . . . 15.0 110.515 179.218 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.835 0 N-CA-C 112.584 -0.206 . . . . 15.0 112.584 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -123.94 93.69 4.0 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.07 0.462 . . . . 15.0 110.197 178.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 6.1 p -113.32 100.02 8.23 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.978 -0.556 . . . . 15.0 110.948 -179.468 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -149.95 112.29 4.68 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.887 -0.597 . . . . 15.0 110.469 -179.298 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 3.1 m -85.19 76.49 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 121.585 0.707 . . . . 15.0 110.731 178.007 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 3.4 p -89.88 5.58 45.65 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.661 -0.699 . . . . 15.0 110.632 -178.382 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . 0.458 ' HG3' ' CD1' ' A' ' 435' ' ' TRP . 7.7 pt-20 -72.96 -17.75 61.44 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.588 -0.733 . . . . 15.0 111.45 177.778 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.551 ' HA ' ' HB2' ' A' ' 449' ' ' ASN . 47.4 m95 -89.55 145.71 25.09 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.211 -0.449 . . . . 15.0 110.057 -172.17 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 436' ' ' THR . . . . . 0.527 ' HB ' ' O ' ' A' ' 448' ' ' TYR . 1.1 m -127.6 123.76 36.47 Favored 'General case' 0 N--CA 1.415 -2.218 0 C-N-CA 119.731 -0.788 . . . . 15.0 109.283 -178.001 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . 0.468 ' HB3' ' CD1' ' A' ' 447' ' ' TYR . 0.5 OUTLIER -101.06 128.99 46.87 Favored 'General case' 0 C--N 1.304 -1.399 0 C-N-CA 118.355 -1.338 . . . . 15.0 111.088 176.678 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 47.6 m-85 -111.67 150.03 30.73 Favored 'General case' 0 C--N 1.31 -1.14 0 CA-C-N 114.632 -1.167 . . . . 15.0 109.371 179.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 0.597 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 0.0 OUTLIER -118.51 144.58 45.94 Favored 'General case' 0 CA--C 1.498 -1.053 0 CA-C-O 122.107 0.956 . . . . 15.0 112.279 176.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 440' ' ' THR . . . . . 0.517 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 70.1 p -92.32 150.49 20.82 Favored 'General case' 0 C--N 1.301 -1.528 0 CA-C-N 113.537 -1.665 . . . . 15.0 107.653 169.303 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -57.14 -15.69 6.12 Favored 'General case' 0 C--N 1.314 -0.962 0 N-CA-C 112.463 0.542 . . . . 15.0 112.463 -179.19 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . 0.423 ' CG ' ' HZ1' ' A' ' 444' ' ' LYS . 5.4 p-10 -93.58 3.68 55.13 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 121.132 0.491 . . . . 15.0 111.166 176.47 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.73 29.77 12.84 Favored Glycine 0 N--CA 1.449 -0.497 0 CA-C-N 115.98 -0.554 . . . . 15.0 113.227 170.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.597 ' O ' ' HA ' ' A' ' 439' ' ' LYS . 53.2 mttp -81.66 111.55 18.04 Favored 'General case' 0 CA--C 1.507 -0.694 0 N-CA-C 110.089 -0.337 . . . . 15.0 110.089 170.045 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 26.4 m -99.25 89.47 4.23 Favored 'General case' 0 N--CA 1.439 -0.976 0 C-N-CA 119.63 -0.828 . . . . 15.0 108.893 171.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . 0.529 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 18.1 p90 -102.08 150.02 23.67 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.425 -0.807 . . . . 15.0 110.138 175.495 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . 0.588 ' CD2' ' HD3' ' A' ' 460' ' ' PRO . 87.5 m-85 -103.42 109.13 20.65 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-O 122.098 0.951 . . . . 15.0 112.255 -171.565 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . 0.781 ' HA ' ' O ' ' A' ' 454' ' ' TYR . 37.4 t80 -109.83 111.09 22.3 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 113.833 -1.53 . . . . 15.0 108.537 173.155 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 1.033 ' HB3' ' HD1' ' A' ' 454' ' ' TYR . 1.3 t-20 -89.62 149.26 22.9 Favored 'General case' 0 CA--C 1.493 -1.233 0 O-C-N 121.804 -0.56 . . . . 15.0 110.477 -176.568 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 10.0 p30 -109.99 -3.67 16.37 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.193 -0.912 . . . . 15.0 111.473 -162.046 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 69.3 ttt180 -88.97 -64.4 1.15 Allowed 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.692 0.758 . . . . 15.0 109.166 173.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -97.64 -4.91 36.52 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 114.49 -1.232 . . . . 15.0 110.87 -177.166 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . 0.993 ' HA ' ' O ' ' A' ' 449' ' ' ASN . 0.3 OUTLIER 49.21 100.61 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 122.762 1.268 . . . . 15.0 114.13 -178.936 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 454' ' ' TYR . . . . . 1.033 ' HD1' ' HB3' ' A' ' 449' ' ' ASN . 29.0 m-85 -120.61 150.17 41.33 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 113.028 -1.896 . . . . 15.0 108.931 -178.151 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 12.4 p -124.51 103.51 8.2 Favored 'General case' 0 C--N 1.317 -0.835 0 C-N-CA 120.289 -0.565 . . . . 15.0 109.963 162.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 456' ' ' THR . . . . . 0.486 ' OG1' ' HG3' ' A' ' 458' ' ' GLU . 6.4 t -128.65 128.42 44.11 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.552 0.692 . . . . 15.0 110.551 176.813 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.529 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 95.5 m95 -81.22 0.09 38.2 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.1 -0.954 . . . . 15.0 111.636 178.681 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . 0.486 ' HG3' ' OG1' ' A' ' 456' ' ' THR . 0.5 OUTLIER -116.93 152.43 34.55 Favored 'General case' 0 N--CA 1.44 -0.927 0 CA-C-N 116.203 -0.453 . . . . 15.0 110.166 177.322 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . 0.478 ' HA ' ' CE2' ' A' ' 447' ' ' TYR . 22.9 ttmm -61.6 125.54 84.79 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 115.797 -0.638 . . . . 15.0 110.26 -178.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . 0.588 ' HD3' ' CD2' ' A' ' 447' ' ' TYR . 54.5 Cg_exo -48.75 145.9 12.18 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 123.326 2.684 . . . . 15.0 112.95 -175.514 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 81.6 mm-40 -57.04 -24.14 51.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.073 -0.512 . . . . 15.0 110.856 177.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -94.92 -2.57 50.33 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.802 -0.635 . . . . 15.0 111.925 -179.7 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . 0.458 HD12 ' HB2' ' A' ' 460' ' ' PRO . 9.3 mp -116.62 -7.72 11.55 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 111.674 0.25 . . . . 15.0 111.674 178.624 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . 0.528 ' HG3' ' O ' ' A' ' 460' ' ' PRO . 68.1 mttm . . . . . 0 C--O 1.248 0.994 0 CA-C-O 118.808 -0.615 . . . . 15.0 110.412 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.638 0 N-CA-C 111.609 -0.596 . . . . 15.0 111.609 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . 49.78 68.13 0.79 Allowed 'General case' 0 C--O 1.235 0.337 0 O-C-N 124.154 0.561 . . . . 15.0 111.735 -179.194 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 31.5 m 69.5 -69.03 0.17 Allowed 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.704 -0.68 . . . . 15.0 111.265 -177.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . 174.2 104.02 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 123.599 0.76 . . . . 15.0 109.031 -176.308 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . 0.403 ' HB ' ' HG2' ' A' ' 434' ' ' GLU . 19.0 m -78.08 113.6 17.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 121.596 0.712 . . . . 15.0 110.305 178.636 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 30.2 t -89.94 1.76 55.88 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.527 -0.76 . . . . 15.0 110.382 -176.281 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . 0.712 ' HB2' ' HG2' ' A' ' 451' ' ' ARG . 8.4 pt-20 -70.64 -24.15 62.66 Favored 'General case' 0 CA--C 1.511 -0.528 0 CA-C-N 115.924 -0.58 . . . . 15.0 111.17 -178.806 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.556 ' HA ' ' HB2' ' A' ' 449' ' ' ASN . 50.7 m95 -89.6 137.71 32.09 Favored 'General case' 0 CA--C 1.499 -1.018 0 N-CA-C 109.1 -0.704 . . . . 15.0 109.1 -177.581 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 436' ' ' THR . . . . . 0.679 ' HB ' ' O ' ' A' ' 448' ' ' TYR . 1.1 m -117.01 114.16 23.39 Favored 'General case' 0 N--CA 1.417 -2.099 0 C-N-CA 118.803 -1.159 . . . . 15.0 109.666 -175.331 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -89.8 131.52 35.7 Favored 'General case' 0 C--N 1.309 -1.156 0 C-N-CA 119.699 -0.801 . . . . 15.0 110.793 -175.622 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . 0.465 ' O ' ' HA ' ' A' ' 445' ' ' THR . 50.7 m-85 -119.43 150.03 40.89 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.249 -0.887 . . . . 15.0 110.051 177.434 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 1.014 ' HE2' ' HA2' ' A' ' 443' ' ' GLY . 41.4 tttm -132.21 127.54 36.02 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-N 115.304 -0.862 . . . . 15.0 109.352 176.018 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 440' ' ' THR . . . . . 0.636 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 7.8 p -89.59 144.46 26.0 Favored 'General case' 0 N--CA 1.431 -1.385 0 N-CA-C 104.359 -2.46 . . . . 15.0 104.359 168.564 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -66.41 -1.3 3.35 Favored 'General case' 0 C--N 1.306 -1.285 0 N-CA-C 113.364 0.876 . . . . 15.0 113.364 -163.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . 0.46 ' CG ' ' HZ3' ' A' ' 444' ' ' LYS . 7.8 p-10 -81.76 -0.62 43.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.799 0.809 . . . . 15.0 108.903 169.566 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . 1.014 ' HA2' ' HE2' ' A' ' 439' ' ' LYS . . . 90.59 26.04 23.91 Favored Glycine 0 CA--C 1.502 -0.726 0 CA-C-N 114.398 -1.274 . . . . 15.0 112.857 172.534 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.697 ' HD2' ' HZ3' ' A' ' 457' ' ' TRP . 30.3 mtmm -83.37 108.91 16.87 Favored 'General case' 0 CA--C 1.5 -0.966 0 C-N-CA 120.854 -0.338 . . . . 15.0 110.564 173.716 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 445' ' ' THR . . . . . 0.465 ' HA ' ' O ' ' A' ' 438' ' ' TYR . 7.4 m -100.12 89.35 3.99 Favored 'General case' 0 C--N 1.311 -1.084 0 N-CA-C 109.072 -0.714 . . . . 15.0 109.072 177.543 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . 0.517 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 6.5 p90 -102.28 143.21 32.35 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 114.927 -1.033 . . . . 15.0 110.446 174.692 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -99.16 114.78 27.72 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.63 0.729 . . . . 15.0 112.008 -174.109 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . 0.868 ' HA ' ' O ' ' A' ' 454' ' ' TYR . 60.6 t80 -107.43 107.57 18.51 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 114.636 -1.165 . . . . 15.0 108.657 171.64 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 1.029 ' HB3' ' CD1' ' A' ' 454' ' ' TYR . 1.3 t-20 -89.66 148.51 23.27 Favored 'General case' 0 CA--C 1.493 -1.215 0 O-C-N 122.19 -0.319 . . . . 15.0 110.469 -175.375 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -110.59 -0.44 17.27 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 113.244 0.831 . . . . 15.0 113.244 -159.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . 0.712 ' HG2' ' HB2' ' A' ' 434' ' ' GLU . 3.4 ptm180 -104.18 -27.33 12.12 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.469 -0.492 . . . . 15.0 110.608 173.576 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 452' ' ' THR . . . . . 0.765 ' HB ' ' CE1' ' A' ' 454' ' ' TYR . 3.6 m -123.41 -7.47 8.13 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.912 -0.586 . . . . 15.0 110.027 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . 0.952 ' HA ' ' O ' ' A' ' 449' ' ' ASN 0.251 0.3 OUTLIER 50.61 94.3 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 122.809 1.29 . . . . 15.0 113.877 178.008 . . . . . . . . 4 4 . 1 . 010 nuclear orig full ' A' A ' 454' ' ' TYR . . . . . 1.029 ' CD1' ' HB3' ' A' ' 449' ' ' ASN . 27.5 m-85 -116.26 147.96 40.97 Favored 'General case' 0 CA--C 1.507 -0.708 0 CA-C-N 112.943 -1.935 . . . . 15.0 108.788 -179.282 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 20.2 p -117.51 89.9 3.22 Favored 'General case' 0 C--N 1.314 -0.977 0 N-CA-C 108.508 -0.923 . . . . 15.0 108.508 160.153 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 4.0 m -115.25 110.13 18.98 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 114.57 -1.196 . . . . 15.0 110.586 -171.223 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.697 ' HZ3' ' HD2' ' A' ' 444' ' ' LYS . 86.2 m95 -77.31 -0.12 24.32 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.184 -0.462 . . . . 15.0 111.831 -178.25 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -121.09 151.72 39.52 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 116.257 -0.429 . . . . 15.0 110.078 -179.194 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 18.6 ttmm -76.31 118.35 70.76 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 116.467 -0.333 . . . . 15.0 110.397 -178.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . 0.847 ' HG2' ' HB2' ' A' ' 463' ' ' LEU . 36.9 Cg_endo -66.24 148.56 84.93 Favored 'Trans proline' 0 C--O 1.234 0.303 0 C-N-CA 122.985 2.456 . . . . 15.0 112.251 179.478 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -66.51 -24.61 66.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 15.0 111.32 -177.232 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 5.2 pm0 -79.0 -11.59 60.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.281 0.562 . . . . 15.0 110.786 179.047 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . 0.847 ' HB2' ' HG2' ' A' ' 460' ' ' PRO . 8.9 tp -96.28 -6.59 37.53 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.054 -0.521 . . . . 15.0 109.697 -179.68 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . 0.728 ' HZ1' ' HB3' ' A' ' 464' ' ' LYS . 9.2 mtpm? . . . . . 0 C--O 1.245 0.844 0 CA-C-O 118.241 -0.885 . . . . 15.0 109.908 179.693 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.496 0 N-CA-C 111.512 -0.635 . . . . 15.0 111.512 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . 0.426 ' HA ' ' O ' ' A' ' 432' ' ' VAL . . . -88.23 73.13 8.96 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.145 0.498 . . . . 15.0 111.34 -176.481 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 16.7 m -82.01 -38.36 25.16 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.846 -0.615 . . . . 15.0 109.775 175.284 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -150.2 -49.34 0.13 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.245 -0.889 . . . . 15.0 108.919 177.576 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . 0.544 ' HB ' ' OE1' ' A' ' 434' ' ' GLU . 27.3 m -93.36 160.5 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.272 -0.877 . . . . 15.0 109.24 171.745 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 22.6 t -146.33 3.39 0.89 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.679 0.276 . . . . 15.0 111.52 -175.555 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . 0.544 ' OE1' ' HB ' ' A' ' 432' ' ' VAL . 1.5 pm0 -71.44 -32.05 67.9 Favored 'General case' 0 CA--C 1.51 -0.568 0 CA-C-O 121.185 0.516 . . . . 15.0 111.107 176.86 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.462 ' HA ' ' HB2' ' A' ' 449' ' ' ASN . 42.5 m95 -89.63 145.75 25.03 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 115.554 -0.748 . . . . 15.0 110.126 -174.343 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 436' ' ' THR . . . . . 0.667 ' HB ' ' O ' ' A' ' 448' ' ' TYR . 1.1 m -125.65 145.42 50.17 Favored 'General case' 0 N--CA 1.411 -2.414 0 N-CA-C 108.837 -0.801 . . . . 15.0 108.837 179.48 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -111.76 128.67 56.17 Favored 'General case' 0 C--N 1.306 -1.302 0 C-N-CA 119.718 -0.793 . . . . 15.0 110.273 169.089 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -116.31 149.93 38.48 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 115.917 -0.583 . . . . 15.0 110.148 178.148 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 0.619 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 0.1 OUTLIER -122.38 143.38 49.69 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 115.52 -0.763 . . . . 15.0 111.514 178.88 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 440' ' ' THR . . . . . 0.625 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 19.6 p -89.77 150.9 22.07 Favored 'General case' 0 C--N 1.31 -1.145 0 N-CA-C 107.072 -1.455 . . . . 15.0 107.072 166.311 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -46.66 -27.47 1.18 Allowed 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 112.771 0.656 . . . . 15.0 112.771 -176.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . 0.575 ' OD2' ' HG3' ' A' ' 444' ' ' LYS . 6.0 p-10 -79.73 -3.26 46.69 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-O 120.867 0.365 . . . . 15.0 111.889 178.826 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.45 30.04 12.91 Favored Glycine 0 CA--C 1.501 -0.791 0 CA-C-N 116.151 -0.477 . . . . 15.0 112.798 170.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.667 ' HD2' ' CZ3' ' A' ' 457' ' ' TRP . 29.8 mtmm -78.58 109.88 13.19 Favored 'General case' 0 CA--C 1.502 -0.873 0 C-N-CA 120.926 -0.31 . . . . 15.0 110.416 171.757 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 445' ' ' THR . . . . . 0.5 HG21 ' HD2' ' A' ' 439' ' ' LYS . 23.3 m -94.4 89.43 5.87 Favored 'General case' 0 N--CA 1.436 -1.144 0 N-CA-C 109.231 -0.655 . . . . 15.0 109.231 177.572 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . 0.572 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 10.5 p90 -103.01 148.13 26.08 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.684 -0.689 . . . . 15.0 110.28 173.288 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . 0.443 ' CD2' ' HD3' ' A' ' 460' ' ' PRO . 64.0 m-85 -96.9 113.23 24.76 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.926 0.87 . . . . 15.0 112.02 -173.456 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . 0.838 ' HA ' ' O ' ' A' ' 454' ' ' TYR . 45.9 t80 -112.68 111.15 21.75 Favored 'General case' 0 C--O 1.213 -0.843 0 CA-C-N 114.016 -1.447 . . . . 15.0 108.563 174.818 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 1.024 ' HB3' ' CD1' ' A' ' 454' ' ' TYR . 1.5 t-20 -89.81 146.91 24.11 Favored 'General case' 0 CA--C 1.491 -1.304 0 O-C-N 121.814 -0.554 . . . . 15.0 110.784 -176.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -111.46 1.68 17.09 Favored 'General case' 0 N--CA 1.443 -0.818 0 CA-C-N 115.372 -0.831 . . . . 15.0 112.312 -161.561 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . 0.425 ' NH1' ' HB3' ' A' ' 434' ' ' GLU . 36.3 ttp180 -93.88 -37.44 11.72 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.943 0.877 . . . . 15.0 109.78 171.667 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 452' ' ' THR . . . . . 0.406 ' HB ' ' CZ ' ' A' ' 454' ' ' TYR . 0.1 OUTLIER -127.88 -3.28 5.86 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 114.784 -1.098 . . . . 15.0 110.724 -172.347 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . 0.943 ' HA ' ' O ' ' A' ' 449' ' ' ASN . 0.2 OUTLIER 51.01 93.34 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 122.852 1.311 . . . . 15.0 113.895 176.463 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 454' ' ' TYR . . . . . 1.024 ' CD1' ' HB3' ' A' ' 449' ' ' ASN . 28.5 m-85 -115.81 148.25 40.1 Favored 'General case' 0 CA--C 1.511 -0.554 0 CA-C-N 112.775 -2.011 . . . . 15.0 108.555 -179.682 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 2.4 p -124.03 97.68 5.45 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-O 121.273 0.558 . . . . 15.0 109.915 166.231 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 5.0 t -127.77 123.65 35.81 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 115.773 -0.649 . . . . 15.0 110.78 -178.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.667 ' CZ3' ' HD2' ' A' ' 444' ' ' LYS . 71.5 m95 -76.97 -5.4 48.47 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.652 -0.704 . . . . 15.0 110.842 175.777 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -112.26 143.01 44.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.719 0.295 . . . . 15.0 110.369 -179.299 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . 0.468 ' HA ' ' HD3' ' A' ' 460' ' ' PRO . 38.0 ttmt -60.43 133.4 91.02 Favored Pre-proline 0 CA--C 1.534 0.347 0 CA-C-N 115.633 -0.712 . . . . 15.0 112.194 -173.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . 0.468 ' HD3' ' HA ' ' A' ' 459' ' ' LYS . 19.9 Cg_exo -65.53 152.66 81.18 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 123.56 2.84 . . . . 15.0 112.266 178.016 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -72.13 -22.75 61.28 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.198 -0.456 . . . . 15.0 111.497 -177.017 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -84.86 -5.14 59.34 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.717 0.294 . . . . 15.0 111.267 177.641 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 10.7 mp -105.94 9.75 32.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.965 0.412 . . . . 15.0 110.162 175.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 30.2 mmmt . . . . . 0 C--O 1.248 0.979 0 CA-C-O 118.52 -0.753 . . . . 15.0 111.117 -178.961 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.504 0 N-CA-C 112.018 -0.433 . . . . 15.0 112.018 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -87.67 152.33 22.24 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.918 0.389 . . . . 15.0 110.81 179.329 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 27.9 m -144.95 -56.73 0.34 Allowed 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.123 -0.695 . . . . 15.0 109.123 175.024 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -117.46 -61.84 1.65 Allowed 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.997 -0.742 . . . . 15.0 108.997 171.161 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 33.7 m -77.89 132.6 32.23 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.759 0 N-CA-C 108.442 -0.947 . . . . 15.0 108.442 173.107 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 34.1 m -118.06 6.55 12.11 Favored 'General case' 0 C--N 1.309 -1.19 0 CA-C-N 116.193 -0.458 . . . . 15.0 110.704 -175.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . 0.953 ' HB2' ' HG2' ' A' ' 451' ' ' ARG . 10.8 pt-20 -77.26 -33.94 55.86 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-N 115.829 -0.623 . . . . 15.0 111.468 -179.528 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.515 ' CD1' ' HG3' ' A' ' 434' ' ' GLU . 52.2 m95 -89.61 148.92 23.07 Favored 'General case' 0 CA--C 1.506 -0.719 0 CA-C-O 120.811 0.339 . . . . 15.0 110.182 -172.054 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 436' ' ' THR . . . . . 0.531 ' HB ' ' O ' ' A' ' 448' ' ' TYR . 1.1 m -135.42 149.93 49.74 Favored 'General case' 0 N--CA 1.417 -2.12 0 C-N-CA 120.143 -0.623 . . . . 15.0 109.615 177.246 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . 0.512 ' HB3' ' CD1' ' A' ' 447' ' ' TYR . 0.1 OUTLIER -119.5 136.15 54.46 Favored 'General case' 0 C--N 1.308 -1.202 0 CA-C-O 121.288 0.566 . . . . 15.0 111.178 171.867 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 36.2 m-85 -128.09 150.03 50.14 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.688 -0.687 . . . . 15.0 109.981 178.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 0.644 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 3.8 mppt? -111.64 146.85 36.72 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.679 0.752 . . . . 15.0 111.635 175.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 440' ' ' THR . . . . . 0.697 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 0.8 OUTLIER -101.66 150.21 23.34 Favored 'General case' 0 C--N 1.306 -1.305 0 CA-C-N 114.012 -1.449 . . . . 15.0 107.682 165.867 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -35.79 -40.62 0.19 Allowed 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 115.549 1.685 . . . . 15.0 115.549 -167.331 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . 0.457 ' CG ' ' HZ2' ' A' ' 444' ' ' LYS . 4.8 p-10 -78.92 4.36 14.4 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 118.431 0.56 . . . . 15.0 111.752 -175.754 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.48 29.68 13.59 Favored Glycine 0 N--CA 1.448 -0.558 0 CA-C-N 116.048 -0.523 . . . . 15.0 112.381 174.455 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.697 ' HB2' ' OG1' ' A' ' 440' ' ' THR . 61.1 mttp -78.61 110.47 13.76 Favored 'General case' 0 CA--C 1.505 -0.785 0 CA-C-N 115.75 -0.225 . . . . 15.0 110.469 173.427 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 17.3 m -97.27 89.43 4.75 Favored 'General case' 0 N--CA 1.436 -1.126 0 C-N-CA 119.832 -0.747 . . . . 15.0 109.686 176.709 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . 0.505 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 26.2 p90 -95.24 142.04 28.12 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.444 -0.798 . . . . 15.0 109.819 170.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . 0.512 ' CD1' ' HB3' ' A' ' 437' ' ' GLU . 97.5 m-85 -92.47 106.0 18.07 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-O 121.815 0.817 . . . . 15.0 111.682 -174.334 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . 0.857 ' HA ' ' O ' ' A' ' 454' ' ' TYR . 50.1 t80 -98.34 111.5 23.82 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-N 114.361 -1.29 . . . . 15.0 109.118 173.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.987 ' HB3' ' CD1' ' A' ' 454' ' ' TYR . 1.4 t-20 -89.84 147.41 23.79 Favored 'General case' 0 CA--C 1.494 -1.197 0 O-C-N 121.657 -0.652 . . . . 15.0 110.686 -178.763 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -113.35 3.75 16.04 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-N 115.538 -0.756 . . . . 15.0 112.89 -159.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . 0.953 ' HG2' ' HB2' ' A' ' 434' ' ' GLU . 0.9 OUTLIER -98.16 -28.76 13.58 Favored 'General case' 0 CA--C 1.519 -0.246 0 C-N-CA 120.381 -0.528 . . . . 15.0 109.834 171.407 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 452' ' ' THR . . . . . 0.658 ' HB ' ' CE1' ' A' ' 454' ' ' TYR . 27.1 m -132.54 -8.84 3.24 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.282 -0.872 . . . . 15.0 110.467 -173.276 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . 0.905 ' HA ' ' O ' ' A' ' 449' ' ' ASN 0.271 1.8 pp 57.26 96.3 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 123.185 1.469 . . . . 15.0 113.971 175.33 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 454' ' ' TYR . . . . . 0.987 ' CD1' ' HB3' ' A' ' 449' ' ' ASN . 29.8 m-85 -120.39 145.58 47.03 Favored 'General case' 0 CA--C 1.509 -0.601 0 CA-C-N 112.651 -2.068 . . . . 15.0 109.091 -177.566 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 4.1 p -119.62 98.61 6.2 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 121.132 0.491 . . . . 15.0 109.931 165.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 2.7 t -123.57 124.31 42.53 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.371 0.605 . . . . 15.0 110.722 179.555 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.505 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 83.7 m95 -80.16 -0.2 35.0 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.384 -0.825 . . . . 15.0 111.229 179.359 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -117.39 144.63 44.76 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.523 -0.547 . . . . 15.0 109.523 179.522 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . 0.772 ' HE3' ' HB3' ' A' ' 464' ' ' LYS . 38.6 ttpt -75.85 122.52 87.17 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 116.194 -0.457 . . . . 15.0 110.512 -178.35 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . 0.5 ' CG ' HD12 ' A' ' 463' ' ' LEU . 74.2 Cg_endo -75.73 156.22 39.75 Favored 'Trans proline' 0 C--O 1.234 0.293 0 C-N-CA 122.876 2.384 . . . . 15.0 112.225 -178.764 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . 0.425 ' HA ' ' CG ' ' A' ' 464' ' ' LYS . 25.7 tp60 -58.83 -28.42 66.03 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 115.997 -0.547 . . . . 15.0 112.084 -174.222 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . 0.483 ' OE2' ' HB2' ' A' ' 460' ' ' PRO . 2.3 pm0 -77.86 -10.78 59.74 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 111.821 0.304 . . . . 15.0 111.821 -179.667 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . 0.5 HD12 ' CG ' ' A' ' 460' ' ' PRO . 30.4 mt -105.49 -7.52 18.62 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.965 0.412 . . . . 15.0 111.046 178.175 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . 0.772 ' HB3' ' HE3' ' A' ' 459' ' ' LYS . 18.2 ptmt . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.295 -0.86 . . . . 15.0 110.872 -177.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.731 0 N-CA-C 112.009 -0.436 . . . . 15.0 112.009 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -66.12 103.83 1.04 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.096 0.474 . . . . 15.0 110.898 -178.253 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 14.8 p -128.27 137.0 51.79 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.595 -0.73 . . . . 15.0 109.976 178.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -82.83 72.22 9.91 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.417 0.627 . . . . 15.0 110.348 -178.311 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . 0.548 ' O ' HG22 ' A' ' 432' ' ' VAL . 17.0 m -80.62 86.89 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 121.931 0.872 . . . . 15.0 110.523 179.337 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 3.6 m -89.97 -0.57 57.65 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-O 121.271 0.558 . . . . 15.0 110.253 -178.532 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . 0.51 ' HB2' ' HB3' ' A' ' 451' ' ' ARG . 8.3 pt-20 -73.77 -25.9 60.38 Favored 'General case' 0 CA--C 1.513 -0.466 0 CA-C-N 115.432 -0.803 . . . . 15.0 110.287 175.005 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.465 ' CD1' ' HG3' ' A' ' 434' ' ' GLU . 43.2 m95 -89.9 141.7 28.39 Favored 'General case' 0 CA--C 1.504 -0.792 0 CA-C-N 115.553 -0.748 . . . . 15.0 109.837 -174.299 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 436' ' ' THR . . . . . 0.657 ' HB ' ' O ' ' A' ' 448' ' ' TYR . 1.1 m -126.97 142.53 51.53 Favored 'General case' 0 N--CA 1.417 -2.083 0 C-N-CA 119.662 -0.815 . . . . 15.0 109.351 -178.337 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -113.62 129.81 56.5 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-O 121.603 0.716 . . . . 15.0 111.031 173.84 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -123.84 150.16 44.9 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.358 -0.837 . . . . 15.0 110.167 178.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 0.585 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 3.3 mppt? -122.77 148.02 45.83 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-O 121.882 0.849 . . . . 15.0 111.458 172.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 440' ' ' THR . . . . . 0.577 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 17.7 p -94.94 150.48 20.12 Favored 'General case' 0 C--N 1.306 -1.324 0 CA-C-N 113.845 -1.525 . . . . 15.0 107.323 166.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -38.54 -33.96 0.12 Allowed 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 114.223 1.194 . . . . 15.0 114.223 -176.281 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . 0.412 ' OD2' ' HG3' ' A' ' 444' ' ' LYS . 8.0 p-10 -78.24 -3.85 44.87 Favored 'General case' 0 N--CA 1.469 0.524 0 O-C-N 122.122 -0.361 . . . . 15.0 111.649 -178.167 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.38 29.9 13.34 Favored Glycine 0 CA--C 1.505 -0.582 0 CA-C-N 116.362 -0.381 . . . . 15.0 112.743 174.008 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.585 ' O ' ' HA ' ' A' ' 439' ' ' LYS . 37.0 mttm -72.5 110.57 6.98 Favored 'General case' 0 CA--C 1.504 -0.815 0 N-CA-C 109.936 -0.394 . . . . 15.0 109.936 171.383 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 18.2 m -93.78 89.21 6.07 Favored 'General case' 0 N--CA 1.434 -1.244 0 C-N-CA 119.088 -1.045 . . . . 15.0 109.017 175.458 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . 0.564 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 4.4 p90 -102.56 141.45 35.36 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.73 -0.668 . . . . 15.0 110.102 171.434 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 68.4 m-85 -96.36 109.81 22.26 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-O 121.63 0.728 . . . . 15.0 111.173 -175.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . 0.807 ' HA ' ' O ' ' A' ' 454' ' ' TYR . 56.2 t80 -104.95 112.57 25.75 Favored 'General case' 0 C--O 1.21 -1.019 0 CA-C-N 114.451 -1.249 . . . . 15.0 108.633 174.776 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 1.049 ' HB3' ' HD1' ' A' ' 454' ' ' TYR . 1.0 OUTLIER -89.57 147.24 24.05 Favored 'General case' 0 CA--C 1.496 -1.128 0 O-C-N 121.804 -0.56 . . . . 15.0 110.455 -178.855 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -110.13 -4.11 15.99 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.522 -0.763 . . . . 15.0 111.61 -163.316 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . 0.51 ' HB3' ' HB2' ' A' ' 434' ' ' GLU . 61.0 ttt180 -88.49 -46.99 8.66 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.557 -0.747 . . . . 15.0 109.829 174.753 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -119.54 -1.75 10.62 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 114.856 -1.065 . . . . 15.0 110.824 -175.433 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . 0.959 ' HA ' ' O ' ' A' ' 449' ' ' ASN . 0.3 OUTLIER 49.27 98.92 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 122.846 1.308 . . . . 15.0 114.327 179.485 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 454' ' ' TYR . . . . . 1.049 ' HD1' ' HB3' ' A' ' 449' ' ' ASN . 55.4 m-85 -121.12 149.38 42.85 Favored 'General case' 0 CA--C 1.51 -0.561 0 CA-C-N 113.11 -1.859 . . . . 15.0 109.112 -179.246 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 11.2 p -122.58 95.09 4.5 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-O 121.412 0.625 . . . . 15.0 109.635 164.662 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 4.6 t -121.84 121.34 36.95 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 115.575 -0.739 . . . . 15.0 110.775 -178.334 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.564 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 60.8 m95 -81.35 -4.95 57.23 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.506 -0.77 . . . . 15.0 109.857 177.01 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -103.21 142.84 33.47 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.608 -0.723 . . . . 15.0 109.85 179.143 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . 0.434 ' HE3' ' O ' ' A' ' 463' ' ' LEU . 44.0 tttp -80.72 120.67 79.72 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 116.109 -0.496 . . . . 15.0 110.746 -177.219 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . 0.655 ' HD2' HD12 ' A' ' 463' ' ' LEU . 66.0 Cg_endo -76.05 158.31 38.13 Favored 'Trans proline' 0 C--O 1.237 0.427 0 C-N-CA 122.615 2.21 . . . . 15.0 111.809 178.506 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 76.8 mm-40 -73.42 -9.51 58.77 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.366 0.506 . . . . 15.0 112.366 -170.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . 0.56 ' OE2' ' HB2' ' A' ' 460' ' ' PRO . 1.9 pm0 -86.8 -11.46 50.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.972 0.415 . . . . 15.0 110.972 174.039 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . 0.655 HD12 ' HD2' ' A' ' 460' ' ' PRO . 60.5 mt -100.98 -1.64 33.86 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.239 -0.437 . . . . 15.0 110.123 176.023 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 61.2 tttp . . . . . 0 C--O 1.248 0.99 0 CA-C-N 115.573 -0.739 . . . . 15.0 110.459 -176.834 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.818 0 N-CA-C 112.046 -0.422 . . . . 15.0 112.046 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -111.73 149.77 31.18 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 110.343 -0.243 . . . . 15.0 110.343 179.565 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 28.2 m -74.72 -51.09 15.18 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.359 -0.382 . . . . 15.0 110.776 179.706 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -103.06 136.79 42.21 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.293 -0.412 . . . . 15.0 110.697 179.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . 0.465 ' HB ' ' HG2' ' A' ' 434' ' ' GLU . 20.0 m -88.23 144.46 9.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.221 -0.445 . . . . 15.0 110.698 179.636 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 23.3 t -112.98 3.13 16.06 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.15 0.5 . . . . 15.0 110.108 -177.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . 0.527 ' HG3' ' CD1' ' A' ' 435' ' ' TRP . 10.0 pt-20 -69.0 -19.63 64.13 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.713 -0.676 . . . . 15.0 112.161 -178.379 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.527 ' CD1' ' HG3' ' A' ' 434' ' ' GLU . 56.8 m95 -89.68 143.38 26.85 Favored 'General case' 0 C--N 1.311 -1.089 0 CA-C-N 116.145 -0.48 . . . . 15.0 110.505 -171.822 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 436' ' ' THR . . . . . 0.635 ' HB ' ' O ' ' A' ' 448' ' ' TYR . 1.1 m -122.56 143.81 49.5 Favored 'General case' 0 N--CA 1.413 -2.28 0 N-CA-C 109.004 -0.739 . . . . 15.0 109.004 179.191 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -112.48 132.25 55.17 Favored 'General case' 0 C--N 1.308 -1.204 0 CA-C-O 121.635 0.731 . . . . 15.0 110.971 174.866 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -128.32 150.37 50.1 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.281 -0.872 . . . . 15.0 110.359 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 0.597 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 0.0 OUTLIER -121.93 146.27 47.29 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-O 121.87 0.843 . . . . 15.0 112.181 176.775 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 440' ' ' THR . . . . . 0.642 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 16.1 p -90.37 150.83 21.71 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-N 114.081 -1.418 . . . . 15.0 107.926 164.639 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -45.14 -25.67 0.38 Allowed 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 113.538 0.94 . . . . 15.0 113.538 -178.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . 0.516 ' OD2' ' HG3' ' A' ' 444' ' ' LYS . 6.3 p-10 -83.83 -3.16 57.66 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-O 120.921 0.391 . . . . 15.0 111.576 179.652 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.66 30.01 12.54 Favored Glycine 0 CA--C 1.504 -0.654 0 CA-C-N 116.108 -0.496 . . . . 15.0 112.92 172.485 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.642 ' HB2' ' OG1' ' A' ' 440' ' ' THR . 57.6 mttp -77.42 107.12 9.62 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.971 -0.381 . . . . 15.0 109.971 170.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 23.8 m -92.03 89.25 6.89 Favored 'General case' 0 N--CA 1.439 -1.009 0 C-N-CA 119.479 -0.888 . . . . 15.0 109.116 174.583 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . 0.516 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 21.7 p90 -99.8 146.0 27.08 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.465 -0.789 . . . . 15.0 109.776 172.131 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 -96.31 105.08 17.09 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.821 0.819 . . . . 15.0 111.715 -176.186 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . 0.874 ' HA ' ' O ' ' A' ' 454' ' ' TYR . 50.5 t80 -96.73 108.18 20.78 Favored 'General case' 0 N--CA 1.44 -0.93 0 CA-C-N 114.203 -1.362 . . . . 15.0 109.015 173.801 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.991 ' HB3' ' CD1' ' A' ' 454' ' ' TYR . 2.8 t-20 -90.01 146.57 24.26 Favored 'General case' 0 CA--C 1.491 -1.308 0 O-C-N 121.955 -0.466 . . . . 15.0 110.48 -177.843 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -110.65 4.94 20.59 Favored 'General case' 0 N--CA 1.445 -0.725 0 O-C-N 124.085 0.866 . . . . 15.0 113.208 -156.557 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . 0.443 ' HD3' ' OE1' ' A' ' 434' ' ' GLU . 2.3 ptm180 -104.8 -24.29 12.92 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.196 0.522 . . . . 15.0 110.276 171.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 452' ' ' THR . . . . . 0.764 ' HB ' ' CE1' ' A' ' 454' ' ' TYR . 11.8 m -129.2 -14.16 4.36 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.666 -0.697 . . . . 15.0 110.41 -176.395 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . 0.887 ' HA ' ' O ' ' A' ' 449' ' ' ASN 0.303 2.8 pp 58.49 88.59 0.06 Allowed 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 123.465 1.602 . . . . 15.0 113.319 177.576 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 454' ' ' TYR . . . . . 0.991 ' CD1' ' HB3' ' A' ' 449' ' ' ASN . 27.9 m-85 -109.8 142.7 40.69 Favored 'General case' 0 CA--C 1.511 -0.545 0 CA-C-N 112.139 -2.3 . . . . 15.0 109.085 -179.133 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 5.1 p -117.59 97.89 6.11 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.76 -0.459 . . . . 15.0 109.76 165.487 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 5.1 t -125.65 125.14 42.62 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.433 0.635 . . . . 15.0 110.849 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.53 ' CZ3' ' HD3' ' A' ' 444' ' ' LYS . 30.1 m95 -81.01 -2.84 49.6 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.278 -0.874 . . . . 15.0 110.718 177.449 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -112.75 140.22 47.72 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 108.788 -0.819 . . . . 15.0 108.788 176.323 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -68.56 125.6 91.89 Favored Pre-proline 0 C--N 1.324 -0.538 0 N-CA-C 110.049 -0.352 . . . . 15.0 110.049 -179.061 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . 0.621 ' HG2' ' CB ' ' A' ' 463' ' ' LEU . 11.0 Cg_endo -55.89 143.99 79.61 Favored 'Trans proline' 0 C--O 1.234 0.288 0 C-N-CA 123.028 2.485 . . . . 15.0 112.43 177.725 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 25.7 tp60 -65.32 -22.13 66.79 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.983 -0.553 . . . . 15.0 111.107 -177.502 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -91.15 0.13 57.59 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.317 -0.402 . . . . 15.0 111.469 179.062 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . 0.621 ' CB ' ' HG2' ' A' ' 460' ' ' PRO . 12.1 tp -114.29 -10.71 12.67 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.907 0.384 . . . . 15.0 110.779 179.816 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt . . . . . 0 C--O 1.247 0.943 0 CA-C-O 118.379 -0.819 . . . . 15.0 110.37 -179.958 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.565 0 N-CA-C 111.951 -0.46 . . . . 15.0 111.951 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -99.88 139.18 35.92 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.693 0.283 . . . . 15.0 110.361 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 5.0 m -77.86 88.72 4.06 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.069 0.462 . . . . 15.0 110.621 179.675 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -112.07 126.97 55.75 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.985 -0.552 . . . . 15.0 110.098 178.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 29.3 m -83.1 136.7 22.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 120.977 0.417 . . . . 15.0 110.426 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 21.4 m -110.09 2.41 19.49 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.239 -0.437 . . . . 15.0 110.824 179.348 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . 0.477 ' OE1' ' HD3' ' A' ' 451' ' ' ARG . 11.5 pt-20 -77.84 -27.95 50.01 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-O 121.088 0.47 . . . . 15.0 110.911 178.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.611 ' HA ' ' HB2' ' A' ' 449' ' ' ASN . 52.3 m95 -89.67 138.02 31.83 Favored 'General case' 0 CA--C 1.502 -0.877 0 N-CA-C 108.744 -0.836 . . . . 15.0 108.744 -176.615 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 436' ' ' THR . . . . . 0.583 ' HB ' ' O ' ' A' ' 448' ' ' TYR . 1.1 m -121.12 113.79 20.52 Favored 'General case' 0 N--CA 1.417 -2.078 0 C-N-CA 118.897 -1.121 . . . . 15.0 110.198 -174.532 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.98 128.98 36.36 Favored 'General case' 0 C--N 1.312 -1.064 0 C-N-CA 118.876 -1.129 . . . . 15.0 111.275 -176.609 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -118.95 150.18 40.36 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.176 -0.92 . . . . 15.0 110.137 179.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 0.611 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 2.4 mppt? -121.91 147.83 45.52 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.734 0.778 . . . . 15.0 111.489 176.51 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 440' ' ' THR . . . . . 0.482 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 81.2 p -90.03 150.91 21.9 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-N 114.149 -1.387 . . . . 15.0 107.661 167.384 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -46.94 -24.27 0.58 Allowed 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 112.85 0.685 . . . . 15.0 112.85 177.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . 0.408 ' OD2' ' HG3' ' A' ' 444' ' ' LYS . 6.5 p-10 -89.9 -0.56 57.64 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-O 121.062 0.458 . . . . 15.0 111.443 178.068 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.88 29.85 12.35 Favored Glycine 0 CA--C 1.504 -0.618 0 CA-C-N 116.09 -0.504 . . . . 15.0 112.937 170.26 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.611 ' O ' ' HA ' ' A' ' 439' ' ' LYS . 59.7 mttp -73.93 107.95 6.46 Favored 'General case' 0 CA--C 1.503 -0.854 0 N-CA-C 109.68 -0.489 . . . . 15.0 109.68 169.58 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 23.5 m -93.77 89.35 6.13 Favored 'General case' 0 N--CA 1.437 -1.118 0 C-N-CA 119.479 -0.888 . . . . 15.0 109.033 175.091 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . 0.578 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 7.2 p90 -102.85 145.52 29.67 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.237 -0.892 . . . . 15.0 110.066 172.497 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -98.57 117.79 33.8 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.473 0.654 . . . . 15.0 111.929 -174.255 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . 0.885 ' HA ' ' O ' ' A' ' 454' ' ' TYR . 54.7 t80 -115.16 106.51 14.16 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.663 -1.153 . . . . 15.0 109.261 174.655 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 1.014 ' HB3' ' CD1' ' A' ' 454' ' ' TYR . 1.5 t-20 -89.66 147.38 23.92 Favored 'General case' 0 CA--C 1.492 -1.275 0 O-C-N 122.298 -0.251 . . . . 15.0 110.535 -173.556 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -109.92 3.8 20.91 Favored 'General case' 0 N--CA 1.447 -0.6 0 N-CA-C 113.337 0.866 . . . . 15.0 113.337 -158.594 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . 0.477 ' HD3' ' OE1' ' A' ' 434' ' ' GLU . 8.0 ptm180 -103.45 -27.46 12.38 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.382 0.611 . . . . 15.0 110.265 172.164 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 452' ' ' THR . . . . . 0.782 ' HB ' ' CE1' ' A' ' 454' ' ' TYR . 13.3 m -127.58 -8.93 5.66 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.504 -0.771 . . . . 15.0 110.352 -176.809 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . 0.917 ' HA ' ' O ' ' A' ' 449' ' ' ASN 0.262 0.3 OUTLIER 53.6 89.16 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 122.92 1.343 . . . . 15.0 113.372 176.602 . . . . . . . . 4 4 . 1 . 015 nuclear orig full ' A' A ' 454' ' ' TYR . . . . . 1.014 ' CD1' ' HB3' ' A' ' 449' ' ' ASN . 29.6 m-85 -110.5 147.07 34.86 Favored 'General case' 0 CA--C 1.508 -0.645 0 CA-C-N 112.436 -2.165 . . . . 15.0 108.769 -179.451 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 3.7 p -125.56 103.18 7.73 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 109.637 -0.505 . . . . 15.0 109.637 165.481 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 8.7 t -136.86 127.15 26.44 Favored 'General case' 0 N--CA 1.441 -0.89 0 CA-C-O 121.669 0.747 . . . . 15.0 111.557 -179.45 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.578 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 24.1 m95 -77.75 -0.37 26.73 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.962 -1.017 . . . . 15.0 110.355 173.169 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -104.0 124.84 49.75 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.227 -0.442 . . . . 15.0 110.029 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . 1.086 ' HD3' ' HA ' ' A' ' 464' ' ' LYS . 8.6 ttmm -63.31 116.93 29.05 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 115.896 -0.593 . . . . 15.0 110.505 179.546 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . 0.826 ' HG2' ' HB2' ' A' ' 463' ' ' LEU . 30.7 Cg_endo -65.26 158.53 51.83 Favored 'Trans proline' 0 CA--C 1.528 0.224 0 C-N-CA 122.818 2.345 . . . . 15.0 112.132 178.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -65.63 -30.47 71.18 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.995 -0.548 . . . . 15.0 111.727 -173.12 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . 0.477 ' OE2' ' HB2' ' A' ' 460' ' ' PRO . 1.5 pm0 -85.58 0.29 52.96 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.947 0.403 . . . . 15.0 110.745 179.819 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . 0.826 ' HB2' ' HG2' ' A' ' 460' ' ' PRO . 0.5 OUTLIER -123.89 8.74 8.74 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.148 -0.478 . . . . 15.0 109.744 179.868 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . 1.086 ' HA ' ' HD3' ' A' ' 459' ' ' LYS . 62.8 tttp . . . . . 0 C--O 1.251 1.18 0 CA-C-O 118.457 -0.782 . . . . 15.0 110.856 -175.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.787 0 N-CA-C 112.21 -0.356 . . . . 15.0 112.21 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -159.32 170.25 22.24 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.887 -0.412 . . . . 15.0 109.887 -178.493 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 27.6 m -55.69 114.01 1.7 Allowed 'General case' 0 C--N 1.321 -0.647 0 O-C-N 123.672 0.607 . . . . 15.0 110.863 178.284 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . 64.84 84.82 0.15 Allowed 'General case' 0 N--CA 1.463 0.219 0 O-C-N 123.769 0.668 . . . . 15.0 111.481 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 18.4 m -88.49 140.86 15.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 121.338 0.59 . . . . 15.0 110.931 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 8.0 t -138.12 12.15 2.84 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.782 -0.645 . . . . 15.0 109.409 179.006 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . 0.693 ' HB2' ' HG2' ' A' ' 451' ' ' ARG . 8.6 pt-20 -73.93 -23.92 59.6 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-N 115.873 -0.603 . . . . 15.0 111.729 -176.425 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.442 ' HA ' ' HB2' ' A' ' 449' ' ' ASN . 34.0 m95 -89.81 133.31 34.79 Favored 'General case' 0 CA--C 1.5 -0.953 0 CA-C-N 116.096 -0.502 . . . . 15.0 109.705 -174.323 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 436' ' ' THR . . . . . 0.72 ' HB ' ' O ' ' A' ' 448' ' ' TYR . 1.1 m -114.17 138.09 50.9 Favored 'General case' 0 N--CA 1.413 -2.304 0 N-CA-C 108.525 -0.917 . . . . 15.0 108.525 -176.51 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -112.0 130.28 55.91 Favored 'General case' 0 C--N 1.305 -1.343 0 CA-C-O 121.748 0.785 . . . . 15.0 110.565 176.654 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -128.71 150.14 50.39 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 114.917 -1.038 . . . . 15.0 109.93 -177.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 0.532 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 8.6 mptt -113.94 144.51 42.95 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-O 122.159 0.98 . . . . 15.0 112.18 173.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 440' ' ' THR . . . . . 0.612 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 10.5 p -90.31 150.69 21.81 Favored 'General case' 0 C--N 1.306 -1.308 0 CA-C-N 113.543 -1.662 . . . . 15.0 107.864 169.08 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -51.42 -22.87 3.29 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.785 0.661 . . . . 15.0 112.785 -177.043 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -86.11 -0.32 55.35 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-O 120.767 0.318 . . . . 15.0 111.269 179.204 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.45 30.33 12.31 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 121.284 -0.484 . . . . 15.0 112.889 169.492 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.612 ' HB2' ' OG1' ' A' ' 440' ' ' THR . 45.0 mmtm -82.82 127.76 33.78 Favored 'General case' 0 CA--C 1.494 -1.187 0 N-CA-C 109.839 -0.43 . . . . 15.0 109.839 169.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 445' ' ' THR . . . . . 0.491 HG22 ' HE3' ' A' ' 439' ' ' LYS . 21.9 m -94.38 89.23 5.8 Favored 'General case' 0 N--CA 1.429 -1.52 0 C-N-CA 118.474 -1.29 . . . . 15.0 107.867 166.787 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . 0.589 ' CE1' HG22 ' A' ' 440' ' ' THR . 5.1 p90 -96.07 144.19 26.55 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.757 -0.656 . . . . 15.0 110.377 170.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -100.95 116.89 33.87 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-O 121.545 0.688 . . . . 15.0 111.39 -175.66 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . 0.829 ' HA ' ' O ' ' A' ' 454' ' ' TYR . 80.3 t80 -113.79 110.58 20.38 Favored 'General case' 0 C--O 1.211 -0.932 0 CA-C-N 114.609 -1.178 . . . . 15.0 109.05 174.746 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 1.083 ' HB3' ' HD1' ' A' ' 454' ' ' TYR . 2.5 t-20 -89.86 149.53 22.61 Favored 'General case' 0 CA--C 1.493 -1.245 0 O-C-N 121.811 -0.556 . . . . 15.0 110.165 -178.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -114.62 1.03 14.12 Favored 'General case' 0 N--CA 1.439 -0.994 0 CA-C-N 115.352 -0.84 . . . . 15.0 113.25 -157.603 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . 0.693 ' HG2' ' HB2' ' A' ' 434' ' ' GLU . 2.3 ptm180 -107.7 -28.54 9.65 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.371 -0.532 . . . . 15.0 110.704 173.535 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 452' ' ' THR . . . . . 0.632 ' HB ' ' CE1' ' A' ' 454' ' ' TYR . 4.7 m -122.83 -6.73 8.49 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.981 -0.554 . . . . 15.0 109.554 179.571 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . 0.971 ' HA ' ' O ' ' A' ' 449' ' ' ASN . 0.3 OUTLIER 50.62 102.45 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 122.844 1.307 . . . . 15.0 114.284 176.655 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 454' ' ' TYR . . . . . 1.083 ' HD1' ' HB3' ' A' ' 449' ' ' ASN . 26.2 m-85 -124.7 145.44 49.68 Favored 'General case' 0 C--O 1.22 -0.463 0 CA-C-N 112.821 -1.99 . . . . 15.0 108.411 -178.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 4.4 p -124.71 96.87 5.05 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-O 121.492 0.663 . . . . 15.0 110.072 167.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 4.2 t -128.86 120.24 25.88 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.707 -0.679 . . . . 15.0 111.309 -177.355 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.517 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 20.8 m95 -74.41 -9.47 58.62 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.768 -0.651 . . . . 15.0 110.142 174.671 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -101.42 133.04 46.66 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.502 -0.772 . . . . 15.0 110.032 -177.666 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . 0.599 ' HD3' ' HA ' ' A' ' 464' ' ' LYS . 23.2 ttmm -67.69 121.08 77.85 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 116.044 -0.525 . . . . 15.0 111.125 -178.231 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . 0.477 ' HB2' ' OE2' ' A' ' 462' ' ' GLU . 96.1 Cg_endo -78.0 172.83 14.91 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 123.216 2.611 . . . . 15.0 112.97 -178.194 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -66.09 -21.55 66.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.403 -0.817 . . . . 15.0 113.168 -170.069 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . 0.477 ' OE2' ' HB2' ' A' ' 460' ' ' PRO . 1.9 pm0 -99.93 2.53 43.75 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 122.269 -0.27 . . . . 15.0 111.659 -178.638 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 70.5 mt -117.49 1.36 12.31 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.917 0.389 . . . . 15.0 110.679 176.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . 0.599 ' HA ' ' HD3' ' A' ' 459' ' ' LYS . 2.6 ptmm? . . . . . 0 C--O 1.248 0.976 0 CA-C-O 118.338 -0.839 . . . . 15.0 110.646 179.558 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.709 0 N-CA-C 112.502 -0.239 . . . . 15.0 112.502 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -93.98 97.04 10.08 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.703 -0.48 . . . . 15.0 109.703 177.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 26.6 m 74.5 144.43 0.08 Allowed 'General case' 0 N--CA 1.466 0.366 0 O-C-N 123.808 0.693 . . . . 15.0 110.2 -175.32 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -76.28 78.93 3.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.211 0.529 . . . . 15.0 110.49 -179.734 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . 0.469 ' HB ' ' HG2' ' A' ' 434' ' ' GLU . 30.9 m -84.48 143.86 10.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.712 -0.677 . . . . 15.0 111.233 -178.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 19.1 t -119.88 -2.98 10.24 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.466 0.65 . . . . 15.0 109.348 177.506 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . 0.57 ' HB2' ' HG2' ' A' ' 451' ' ' ARG . 6.4 pt-20 -64.7 -33.81 76.83 Favored 'General case' 0 CA--C 1.511 -0.522 0 CA-C-N 115.168 -0.924 . . . . 15.0 110.704 177.385 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.53 ' HA ' ' HB2' ' A' ' 449' ' ' ASN . 43.4 m95 -89.51 141.45 28.56 Favored 'General case' 0 CA--C 1.501 -0.918 0 CA-C-N 115.785 -0.643 . . . . 15.0 109.476 -175.386 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 436' ' ' THR . . . . . 0.654 ' HB ' ' O ' ' A' ' 448' ' ' TYR . 1.1 m -124.99 142.42 51.5 Favored 'General case' 0 N--CA 1.414 -2.249 0 C-N-CA 119.643 -0.823 . . . . 15.0 109.108 -178.315 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -110.34 131.22 55.24 Favored 'General case' 0 C--N 1.308 -1.199 0 C-N-CA 119.62 -0.832 . . . . 15.0 110.437 172.693 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -127.48 150.28 49.73 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.498 -0.774 . . . . 15.0 110.267 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 0.558 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 0.0 OUTLIER -121.0 142.1 50.11 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-O 121.784 0.802 . . . . 15.0 111.532 175.813 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 440' ' ' THR . . . . . 0.691 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 6.0 p -90.17 150.89 21.82 Favored 'General case' 0 C--N 1.308 -1.228 0 CA-C-N 114.086 -1.415 . . . . 15.0 107.452 166.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -45.42 -24.9 0.35 Allowed 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 113.95 1.093 . . . . 15.0 113.95 -174.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . 0.451 ' OD2' ' HG3' ' A' ' 444' ' ' LYS . 8.0 p-10 -83.8 -2.51 56.51 Favored 'General case' 0 CA--C 1.534 0.336 0 O-C-N 121.938 -0.476 . . . . 15.0 111.303 179.829 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.28 29.77 13.86 Favored Glycine 0 CA--C 1.505 -0.566 0 CA-C-N 116.074 -0.512 . . . . 15.0 112.597 172.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.691 ' HB2' ' OG1' ' A' ' 440' ' ' THR . 95.0 mttt -76.86 106.53 8.59 Favored 'General case' 0 CA--C 1.503 -0.84 0 N-CA-C 110.054 -0.35 . . . . 15.0 110.054 172.096 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 17.9 m -90.68 89.23 7.43 Favored 'General case' 0 N--CA 1.434 -1.243 0 C-N-CA 119.6 -0.84 . . . . 15.0 109.055 175.05 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . 0.558 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 24.7 p90 -104.06 150.02 24.67 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 115.419 -0.81 . . . . 15.0 109.84 172.356 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -101.71 104.77 15.6 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-O 121.804 0.811 . . . . 15.0 111.637 -173.267 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . 0.833 ' HA ' ' O ' ' A' ' 454' ' ' TYR . 53.6 t80 -101.07 111.13 23.26 Favored 'General case' 0 C--O 1.215 -0.756 0 CA-C-N 114.245 -1.343 . . . . 15.0 108.966 175.832 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 1.045 ' HB3' ' HD1' ' A' ' 454' ' ' TYR . 1.3 t-20 -89.6 148.09 23.55 Favored 'General case' 0 CA--C 1.49 -1.341 0 O-C-N 122.108 -0.37 . . . . 15.0 110.599 -177.775 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -112.23 4.44 17.8 Favored 'General case' 0 N--CA 1.447 -0.6 0 O-C-N 123.92 0.762 . . . . 15.0 113.018 -158.66 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . 0.57 ' HG2' ' HB2' ' A' ' 434' ' ' GLU . 3.5 ptt180 -100.01 -32.55 10.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.354 0.597 . . . . 15.0 109.621 171.149 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 452' ' ' THR . . . . . 0.731 ' HB ' ' CE1' ' A' ' 454' ' ' TYR . 10.6 m -123.53 -11.46 7.82 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.218 -0.901 . . . . 15.0 110.38 -174.83 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . 0.93 ' HA ' ' O ' ' A' ' 449' ' ' ASN . 0.4 OUTLIER 54.38 86.63 0.05 OUTLIER 'General case' 0 CA--C 1.518 -0.257 0 CA-C-O 122.865 1.317 . . . . 15.0 113.085 179.764 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 454' ' ' TYR . . . . . 1.045 ' HD1' ' HB3' ' A' ' 449' ' ' ASN . 39.5 m-85 -104.73 142.74 34.16 Favored 'General case' 0 CA--C 1.505 -0.779 0 CA-C-N 112.813 -1.994 . . . . 15.0 108.842 179.046 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 3.5 p -118.98 96.86 5.42 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-O 121.123 0.487 . . . . 15.0 109.704 169.333 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 3.4 t -128.42 122.07 30.49 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.464 0.65 . . . . 15.0 110.554 178.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.59 ' CZ3' ' HD3' ' A' ' 444' ' ' LYS . 76.1 m95 -79.94 -5.63 55.99 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.214 -0.903 . . . . 15.0 111.208 -178.577 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -117.12 141.57 48.1 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.856 -0.424 . . . . 15.0 109.856 179.279 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . 0.744 ' HE3' ' HA ' ' A' ' 464' ' ' LYS . 38.4 ttpt -65.78 123.04 83.72 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 115.65 -0.705 . . . . 15.0 111.299 -174.332 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . 0.554 ' HB2' ' OE1' ' A' ' 462' ' ' GLU . 87.4 Cg_endo -77.86 167.76 23.27 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 123.17 2.58 . . . . 15.0 112.596 -178.032 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . 0.501 ' H ' ' NE2' ' A' ' 461' ' ' GLN . 2.2 mp0 -61.3 -26.46 67.8 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.169 -0.923 . . . . 15.0 112.868 -171.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . 0.554 ' OE1' ' HB2' ' A' ' 460' ' ' PRO . 1.6 pm0 -83.25 -13.68 54.78 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.757 0.313 . . . . 15.0 111.783 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . 0.527 ' O ' ' HD2' ' A' ' 459' ' ' LYS . 43.8 mt -110.12 1.42 18.8 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.647 -0.252 . . . . 15.0 110.917 -178.753 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . 0.744 ' HA ' ' HE3' ' A' ' 459' ' ' LYS . 12.7 mmmm . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.221 -0.895 . . . . 15.0 111.303 -178.356 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.675 0 N-CA-C 111.953 -0.459 . . . . 15.0 111.953 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -111.32 109.86 20.06 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.72 0.295 . . . . 15.0 110.408 179.442 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 23.7 p -93.19 106.14 18.14 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.989 0.423 . . . . 15.0 111.24 -178.486 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -82.28 96.03 7.77 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.064 -0.516 . . . . 15.0 109.888 176.64 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . 0.626 ' HB ' ' HG2' ' A' ' 434' ' ' GLU . 16.9 m -88.04 144.24 9.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 121.209 0.528 . . . . 15.0 111.236 -177.805 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 19.8 t -110.31 2.04 18.88 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.758 -0.655 . . . . 15.0 109.726 -178.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . 0.626 ' HG2' ' HB ' ' A' ' 432' ' ' VAL . 7.9 pt-20 -65.57 -18.4 65.3 Favored 'General case' 0 CA--C 1.51 -0.591 0 CA-C-N 115.901 -0.59 . . . . 15.0 111.246 178.222 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.513 ' HA ' ' HB2' ' A' ' 449' ' ' ASN . 29.1 m95 -89.62 135.68 33.47 Favored 'General case' 0 N--CA 1.438 -1.068 0 CA-C-N 115.613 -0.721 . . . . 15.0 109.521 -174.656 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 436' ' ' THR . . . . . 0.715 ' HB ' ' O ' ' A' ' 448' ' ' TYR . 1.1 m -115.57 145.5 42.6 Favored 'General case' 0 N--CA 1.415 -2.207 0 N-CA-C 108.238 -1.023 . . . . 15.0 108.238 -173.116 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -115.16 150.82 35.45 Favored 'General case' 0 C--N 1.302 -1.5 0 C-N-CA 119.15 -1.02 . . . . 15.0 113.236 173.227 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -149.57 149.99 31.56 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-N 113.65 -1.614 . . . . 15.0 109.35 -173.454 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 0.548 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 0.0 OUTLIER -117.17 144.76 44.39 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-O 121.917 0.865 . . . . 15.0 111.727 175.013 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 440' ' ' THR . . . . . 0.623 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 1.3 p -99.31 150.33 22.23 Favored 'General case' 0 C--N 1.304 -1.391 0 CA-C-N 113.901 -1.499 . . . . 15.0 108.019 168.239 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -60.48 -7.99 2.47 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 113.104 0.779 . . . . 15.0 113.104 -171.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -88.72 -2.02 58.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.073 0.463 . . . . 15.0 110.272 176.415 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.45 29.88 13.25 Favored Glycine 0 N--CA 1.449 -0.498 0 CA-C-N 115.895 -0.593 . . . . 15.0 112.665 173.05 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.69 ' HA ' ' HE2' ' A' ' 444' ' ' LYS . 9.7 mmpt? -85.39 130.4 34.6 Favored 'General case' 0 CA--C 1.497 -1.067 0 N-CA-C 110.103 -0.332 . . . . 15.0 110.103 169.545 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 58.8 m -102.5 89.14 3.44 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 107.563 -1.273 . . . . 15.0 107.563 163.639 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . 0.481 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 13.7 p90 -94.72 148.17 22.55 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.391 -0.822 . . . . 15.0 110.361 175.075 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -99.71 116.15 31.14 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.469 0.652 . . . . 15.0 110.908 -175.188 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . 0.87 ' HA ' ' O ' ' A' ' 454' ' ' TYR . 49.8 t80 -117.51 110.99 18.65 Favored 'General case' 0 C--O 1.206 -1.197 0 CA-C-N 114.674 -1.148 . . . . 15.0 108.879 178.342 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 1.014 ' HB3' ' CD1' ' A' ' 454' ' ' TYR . 2.5 t-20 -89.71 147.97 23.55 Favored 'General case' 0 C--O 1.206 -1.228 0 O-C-N 121.966 -0.459 . . . . 15.0 110.878 -176.191 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -107.63 -5.68 17.34 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 113.505 0.928 . . . . 15.0 113.505 -158.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . 0.408 ' HG2' ' HB2' ' A' ' 434' ' ' GLU . 7.8 ptm180 -99.13 -20.78 16.48 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.092 -0.643 . . . . 15.0 110.613 176.252 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 452' ' ' THR . . . . . 0.759 ' HB ' ' CE1' ' A' ' 454' ' ' TYR . 4.4 m -132.36 -10.9 3.24 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.604 -0.725 . . . . 15.0 110.258 -178.185 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . 0.927 ' HA ' ' O ' ' A' ' 449' ' ' ASN 0.264 1.4 pp 54.96 92.63 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 123.269 1.509 . . . . 15.0 113.666 176.146 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 454' ' ' TYR . . . . . 1.014 ' CD1' ' HB3' ' A' ' 449' ' ' ASN . 31.6 m-85 -114.43 136.65 52.77 Favored 'General case' 0 CA--C 1.504 -0.802 0 CA-C-N 112.354 -2.203 . . . . 15.0 108.942 -177.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 3.8 p -111.36 101.28 9.75 Favored 'General case' 0 C--N 1.315 -0.921 0 N-CA-C 109.734 -0.469 . . . . 15.0 109.734 167.577 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 7.4 t -135.41 124.81 24.83 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.739 0.781 . . . . 15.0 111.061 178.445 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.481 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 27.1 m95 -77.75 -7.14 56.13 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.892 -1.049 . . . . 15.0 110.984 178.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -102.62 138.22 39.82 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.185 -0.461 . . . . 15.0 109.916 178.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . 0.867 ' HD3' ' HA ' ' A' ' 464' ' ' LYS . 66.9 tttt -70.97 121.24 83.5 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 115.909 -0.587 . . . . 15.0 110.386 -177.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . 0.476 ' HG2' ' HB2' ' A' ' 463' ' ' LEU . 11.1 Cg_endo -53.59 143.25 57.53 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 123.138 2.559 . . . . 15.0 111.317 177.103 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 54.6 tp60 -65.91 -21.1 66.42 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.044 0.45 . . . . 15.0 111.159 -173.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . 0.409 ' CD ' ' H ' ' A' ' 462' ' ' GLU . 2.2 pm0 -77.43 -12.52 59.97 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.359 -0.382 . . . . 15.0 111.08 176.786 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . 0.476 ' HB2' ' HG2' ' A' ' 460' ' ' PRO . 10.1 mp -115.04 -25.43 8.13 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.28 -0.418 . . . . 15.0 111.255 178.05 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . 0.867 ' HA ' ' HD3' ' A' ' 459' ' ' LYS . 24.1 ttmm . . . . . 0 C--O 1.252 1.212 0 CA-C-O 117.993 -1.003 . . . . 15.0 111.82 -171.376 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.584 0 N-CA-C 111.672 -0.571 . . . . 15.0 111.672 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -99.26 161.29 13.71 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.879 -0.415 . . . . 15.0 109.879 176.597 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 40.1 p 51.39 101.34 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.596 0 O-C-N 124.1 0.875 . . . . 15.0 112.566 -178.447 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -70.22 -27.94 64.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.957 -0.565 . . . . 15.0 111.014 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 12.9 m 49.29 -178.92 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 124.939 1.296 . . . . 15.0 113.552 178.058 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 18.4 t -136.14 -4.09 2.18 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.676 -0.693 . . . . 15.0 110.007 176.259 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . 0.448 ' HG3' ' CD1' ' A' ' 435' ' ' TRP . 9.1 pt-20 -67.02 -29.68 69.56 Favored 'General case' 0 CA--C 1.512 -0.492 0 CA-C-N 116.02 -0.536 . . . . 15.0 111.217 -178.465 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.463 ' HA ' ' HB2' ' A' ' 449' ' ' ASN . 42.6 m95 -89.61 138.1 31.76 Favored 'General case' 0 CA--C 1.502 -0.904 0 CA-C-N 116.243 -0.435 . . . . 15.0 109.926 -174.732 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 436' ' ' THR . . . . . 0.701 ' HB ' ' O ' ' A' ' 448' ' ' TYR . 1.1 m -122.85 137.05 55.04 Favored 'General case' 0 N--CA 1.414 -2.273 0 N-CA-C 108.752 -0.832 . . . . 15.0 108.752 -177.152 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . 0.418 ' O ' ' HG2' ' A' ' 437' ' ' GLU . 1.1 pm0 -109.99 130.49 55.52 Favored 'General case' 0 C--N 1.307 -1.268 0 C-N-CA 119.757 -0.777 . . . . 15.0 110.399 174.642 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -123.03 150.22 43.35 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.217 -0.901 . . . . 15.0 109.936 178.396 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 0.643 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 37.3 ttpt -128.53 133.69 48.47 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-N 115.448 -0.796 . . . . 15.0 110.363 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 440' ' ' THR . . . . . 0.687 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 9.6 p -89.93 145.92 24.77 Favored 'General case' 0 N--CA 1.436 -1.161 0 N-CA-C 104.888 -2.264 . . . . 15.0 104.888 165.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -65.77 -2.31 3.6 Favored 'General case' 0 C--N 1.308 -1.229 0 N-CA-C 113.121 0.786 . . . . 15.0 113.121 -165.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -84.91 0.99 49.24 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.525 0.679 . . . . 15.0 109.317 171.069 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.71 30.23 12.03 Favored Glycine 0 N--CA 1.443 -0.85 0 CA-C-N 114.976 -1.011 . . . . 15.0 112.997 171.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.687 ' HB2' ' OG1' ' A' ' 440' ' ' THR . 46.7 mttm -86.72 100.41 12.46 Favored 'General case' 0 C--N 1.315 -0.896 0 N-CA-C 109.95 -0.389 . . . . 15.0 109.95 171.68 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 17.3 m -91.95 89.28 6.93 Favored 'General case' 0 N--CA 1.439 -0.992 0 C-N-CA 119.322 -0.951 . . . . 15.0 108.908 172.231 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . 0.461 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 11.1 p90 -96.11 141.36 29.59 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.004 -0.998 . . . . 15.0 109.832 173.233 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 -96.92 109.43 22.16 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-O 121.799 0.809 . . . . 15.0 111.54 -173.584 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . 0.763 ' HA ' ' O ' ' A' ' 454' ' ' TYR . 43.3 t80 -107.48 112.17 24.81 Favored 'General case' 0 C--O 1.212 -0.915 0 CA-C-N 114.308 -1.315 . . . . 15.0 108.563 175.651 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 1.089 ' HB3' ' HD1' ' A' ' 454' ' ' TYR . 1.3 t-20 -89.92 145.72 24.92 Favored 'General case' 0 C--N 1.311 -1.086 0 O-C-N 121.813 -0.554 . . . . 15.0 110.583 -178.58 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -108.09 1.69 22.5 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 114.974 -1.012 . . . . 15.0 111.468 -163.253 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 73.1 ttt180 -94.11 -64.31 1.09 Allowed 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.346 -0.843 . . . . 15.0 109.234 174.349 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -98.47 -3.9 35.65 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 114.597 -1.183 . . . . 15.0 110.697 -177.56 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . 0.962 ' HA ' ' O ' ' A' ' 449' ' ' ASN 0.258 2.3 pp 49.46 98.82 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 123.283 1.516 . . . . 15.0 114.239 179.866 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 454' ' ' TYR . . . . . 1.089 ' HD1' ' HB3' ' A' ' 449' ' ' ASN . 34.7 m-85 -120.27 150.14 41.18 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 112.631 -2.077 . . . . 15.0 108.305 -178.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 13.8 p -126.08 95.82 4.53 Favored 'General case' 0 C--N 1.315 -0.926 0 C-N-CA 119.782 -0.767 . . . . 15.0 109.636 162.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 6.0 t -118.83 122.34 42.14 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.538 -0.755 . . . . 15.0 110.894 -177.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.461 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 67.1 m95 -81.13 0.1 37.76 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.11 -0.95 . . . . 15.0 110.555 177.07 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -114.41 134.45 54.98 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.962 -0.563 . . . . 15.0 110.095 178.114 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . 0.485 ' HE3' ' O ' ' A' ' 463' ' ' LEU . 33.0 tttp -62.22 122.86 75.55 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 115.454 -0.794 . . . . 15.0 111.143 -177.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . 0.616 ' HD2' HD13 ' A' ' 463' ' ' LEU . 60.2 Cg_endo -75.62 160.33 38.22 Favored 'Trans proline' 0 CA--C 1.529 0.267 0 C-N-CA 122.977 2.451 . . . . 15.0 111.761 179.428 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 53.3 tp60 -62.59 -27.39 69.16 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 112.173 0.435 . . . . 15.0 112.173 -172.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . 0.506 ' OE1' ' HB2' ' A' ' 460' ' ' PRO . 2.0 pm0 -75.89 -7.0 53.48 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.669 0.271 . . . . 15.0 111.414 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . 0.616 HD13 ' HD2' ' A' ' 460' ' ' PRO . 72.0 mt -110.24 -5.64 15.24 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.588 0.233 . . . . 15.0 111.251 178.261 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . 0.483 ' HB3' ' HD3' ' A' ' 459' ' ' LYS . 55.6 pttt . . . . . 0 C--O 1.247 0.924 0 CA-C-O 119.305 -0.378 . . . . 15.0 110.913 -177.455 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.72 0 N-CA-C 112.137 -0.385 . . . . 15.0 112.137 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -78.5 134.6 37.28 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.424 0.154 . . . . 15.0 111.0 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 58.9 m 67.54 96.58 0.06 Allowed 'General case' 0 C--O 1.234 0.253 0 O-C-N 123.976 0.798 . . . . 15.0 111.254 179.709 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -94.28 109.47 21.29 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.738 -0.665 . . . . 15.0 110.73 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 22.8 m -77.21 137.54 22.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.164 -0.471 . . . . 15.0 110.363 177.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 41.6 m -150.08 -1.19 0.42 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.442 -0.345 . . . . 15.0 111.548 -177.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . 0.459 ' HB2' ' HG2' ' A' ' 451' ' ' ARG . 1.4 pm0 -75.2 -28.25 59.92 Favored 'General case' 0 CA--C 1.514 -0.438 0 CA-C-O 120.798 0.332 . . . . 15.0 111.691 -175.688 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.467 ' HA ' ' HB2' ' A' ' 449' ' ' ASN . 53.5 m95 -89.64 144.76 25.74 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 116.326 -0.397 . . . . 15.0 110.518 -172.663 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 436' ' ' THR . . . . . 0.658 ' HB ' ' O ' ' A' ' 448' ' ' TYR . 1.1 m -123.67 144.18 49.79 Favored 'General case' 0 N--CA 1.417 -2.076 0 C-N-CA 119.888 -0.725 . . . . 15.0 109.496 179.807 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -113.35 132.08 55.72 Favored 'General case' 0 C--N 1.31 -1.138 0 CA-C-O 121.406 0.622 . . . . 15.0 111.201 177.234 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 46.8 m-85 -126.75 150.08 49.28 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.617 -0.72 . . . . 15.0 110.046 177.105 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 0.702 ' HE3' HG21 ' A' ' 445' ' ' THR . 4.2 mptt -121.41 150.15 41.95 Favored 'General case' 0 CA--C 1.504 -0.808 0 CA-C-O 122.297 1.046 . . . . 15.0 112.147 175.334 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 440' ' ' THR . . . . . 0.505 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 71.5 p -93.78 150.83 20.06 Favored 'General case' 0 C--N 1.307 -1.26 0 CA-C-N 113.243 -1.799 . . . . 15.0 107.91 169.337 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -50.98 -22.51 2.32 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 112.533 0.568 . . . . 15.0 112.533 177.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . 0.443 ' OD2' ' HG3' ' A' ' 444' ' ' LYS . 3.4 p-10 -87.86 -0.42 56.95 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 120.959 0.409 . . . . 15.0 111.171 178.122 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.61 30.04 12.57 Favored Glycine 0 N--CA 1.448 -0.524 0 CA-C-N 115.995 -0.548 . . . . 15.0 113.045 171.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.61 ' O ' ' HA ' ' A' ' 439' ' ' LYS . 62.4 mttp -77.49 115.63 17.41 Favored 'General case' 0 CA--C 1.504 -0.812 0 N-CA-C 110.321 -0.251 . . . . 15.0 110.321 171.327 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 445' ' ' THR . . . . . 0.702 HG21 ' HE3' ' A' ' 439' ' ' LYS . 17.4 m -99.81 89.42 4.09 Favored 'General case' 0 N--CA 1.435 -1.207 0 C-N-CA 119.952 -0.699 . . . . 15.0 109.132 174.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . 0.616 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 17.3 p90 -104.21 145.4 30.26 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.395 -0.82 . . . . 15.0 110.107 173.649 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -101.52 108.86 20.55 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 121.581 0.705 . . . . 15.0 111.502 -175.255 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . 0.826 ' HA ' ' O ' ' A' ' 454' ' ' TYR . 39.2 t80 -101.88 110.21 22.14 Favored 'General case' 0 C--O 1.213 -0.846 0 CA-C-N 114.55 -1.204 . . . . 15.0 108.69 175.156 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.995 ' HB3' ' CD1' ' A' ' 454' ' ' TYR . 2.0 t-20 -90.02 147.56 23.6 Favored 'General case' 0 C--O 1.206 -1.215 0 O-C-N 122.015 -0.428 . . . . 15.0 110.793 -176.498 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 7.6 p30 -110.28 0.34 18.04 Favored 'General case' 0 N--CA 1.445 -0.703 0 N-CA-C 113.26 0.837 . . . . 15.0 113.26 -160.418 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . 0.479 ' HG3' ' OG1' ' A' ' 452' ' ' THR . 14.3 ptt180 -95.12 -30.82 13.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.457 0.646 . . . . 15.0 109.99 172.563 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 452' ' ' THR . . . . . 0.753 ' HB ' ' CE1' ' A' ' 454' ' ' TYR . 21.9 m -129.93 -8.02 4.44 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.195 -0.911 . . . . 15.0 110.3 -173.697 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . 0.923 ' HA ' ' O ' ' A' ' 449' ' ' ASN . 0.3 OUTLIER 54.76 91.36 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 122.751 1.263 . . . . 15.0 113.129 176.74 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 454' ' ' TYR . . . . . 0.995 ' CD1' ' HB3' ' A' ' 449' ' ' ASN . 16.7 m-85 -113.03 149.42 33.39 Favored 'General case' 0 CA--C 1.51 -0.568 0 CA-C-N 112.933 -1.939 . . . . 15.0 108.427 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 5.1 p -125.98 97.33 5.07 Favored 'General case' 0 C--N 1.313 -0.981 0 N-CA-C 109.465 -0.568 . . . . 15.0 109.465 167.25 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 4.8 t -126.96 124.3 39.16 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.767 -0.651 . . . . 15.0 111.094 -179.283 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.616 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 24.6 m95 -77.29 -7.02 55.29 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.328 -0.851 . . . . 15.0 109.961 173.616 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -103.15 140.85 36.8 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.201 -0.666 . . . . 15.0 109.201 -178.838 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . 0.438 ' HA ' ' HD2' ' A' ' 460' ' ' PRO . 37.9 ttpt -75.72 123.47 88.37 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-O 120.813 0.339 . . . . 15.0 111.686 -173.113 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . 0.642 ' HG2' HD12 ' A' ' 463' ' ' LEU . 19.2 Cg_endo -59.16 157.51 29.69 Favored 'Trans proline' 0 CA--C 1.531 0.369 0 C-N-CA 123.419 2.746 . . . . 15.0 112.797 178.029 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.48 -22.09 61.11 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 115.717 -0.674 . . . . 15.0 110.75 -175.692 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -79.14 -11.79 59.98 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.029 0.442 . . . . 15.0 111.153 177.488 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . 0.642 HD12 ' HG2' ' A' ' 460' ' ' PRO . 9.2 mp -113.22 19.59 16.96 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.218 -0.66 . . . . 15.0 109.218 175.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 27.6 tptp . . . . . 0 C--O 1.251 1.137 0 CA-C-N 115.021 -0.991 . . . . 15.0 112.078 -178.998 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 434' ' ' GLU . . . . . 0.729 ' HB2' ' HG2' ' A' ' 451' ' ' ARG . 10.0 pt-20 . . . . . 0 CA--C 1.51 -0.572 0 CA-C-O 121.015 0.435 . . . . 15.0 111.068 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.51 ' HA ' ' HB2' ' A' ' 449' ' ' ASN . 31.2 m95 -89.63 139.84 30.15 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.668 -0.696 . . . . 15.0 109.368 -176.596 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.754 ' HB ' ' O ' ' A' ' 448' ' ' TYR . 1.1 m -120.58 140.26 51.78 Favored 'General case' 0 N--CA 1.413 -2.312 0 C-N-CA 119.382 -0.927 . . . . 15.0 109.315 -178.233 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -108.29 130.92 55.16 Favored 'General case' 0 C--N 1.309 -1.165 0 C-N-CA 119.835 -0.746 . . . . 15.0 111.101 173.778 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -122.97 150.06 43.47 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.978 -0.556 . . . . 15.0 110.132 177.581 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 0.97 ' HE3' ' HA2' ' A' ' 443' ' ' GLY . 31.4 tttp -121.93 142.18 50.55 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 116.079 -0.51 . . . . 15.0 109.84 176.256 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 440' ' ' THR . . . . . 0.699 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 3.0 p -98.8 147.36 24.99 Favored 'General case' 0 N--CA 1.435 -1.193 0 N-CA-C 105.3 -2.111 . . . . 15.0 105.3 164.234 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -69.56 0.04 5.96 Favored 'General case' 0 C--N 1.317 -0.814 0 C-N-CA 120.008 -0.677 . . . . 15.0 112.286 -166.819 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -83.4 0.43 46.09 Favored 'General case' 0 C--N 1.333 -0.128 0 N-CA-C 108.903 -0.777 . . . . 15.0 108.903 171.348 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 443' ' ' GLY . . . . . 0.97 ' HA2' ' HE3' ' A' ' 439' ' ' LYS . . . 90.05 30.07 13.65 Favored Glycine 0 N--CA 1.439 -1.117 0 CA-C-N 114.888 -1.051 . . . . 15.0 112.544 174.394 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.699 ' HB2' ' OG1' ' A' ' 440' ' ' THR . 29.5 mtmm -96.34 107.19 19.53 Favored 'General case' 0 CA--C 1.498 -1.026 0 CA-C-O 120.956 0.408 . . . . 15.0 110.79 173.71 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 1.8 m -100.47 89.27 3.89 Favored 'General case' 0 C--N 1.309 -1.157 0 N-CA-C 108.673 -0.862 . . . . 15.0 108.673 176.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 446' ' ' TYR . . . . . 0.611 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 10.8 p90 -98.5 149.19 22.98 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.44 -0.8 . . . . 15.0 110.637 176.014 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -97.55 116.11 29.14 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.795 0.807 . . . . 15.0 111.744 -175.085 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 448' ' ' TYR . . . . . 0.916 ' HA ' ' O ' ' A' ' 454' ' ' TYR . 71.4 t80 -112.34 111.21 21.91 Favored 'General case' 0 N--CA 1.44 -0.927 0 CA-C-N 114.346 -1.297 . . . . 15.0 108.572 173.88 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 1.082 ' HB3' ' HD1' ' A' ' 454' ' ' TYR . 1.3 t-20 -89.62 146.66 24.39 Favored 'General case' 0 CA--C 1.493 -1.248 0 O-C-N 122.03 -0.419 . . . . 15.0 110.093 -177.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -110.02 2.12 19.41 Favored 'General case' 0 N--CA 1.441 -0.88 0 N-CA-C 113.298 0.851 . . . . 15.0 113.298 -158.206 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 451' ' ' ARG . . . . . 0.729 ' HG2' ' HB2' ' A' ' 434' ' ' GLU . 3.8 ptm180 -105.64 -25.72 12.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.144 0.497 . . . . 15.0 110.636 173.483 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 452' ' ' THR . . . . . 0.673 ' HB ' ' CE1' ' A' ' 454' ' ' TYR . 4.1 m -125.44 -10.3 6.89 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.748 -0.66 . . . . 15.0 109.926 -178.821 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 453' ' ' LEU . . . . . 0.903 ' HA ' ' O ' ' A' ' 449' ' ' ASN 0.262 2.5 pp 53.45 93.1 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 123.446 1.593 . . . . 15.0 113.804 177.514 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 454' ' ' TYR . . . . . 1.082 ' HD1' ' HB3' ' A' ' 449' ' ' ASN . 50.7 m-85 -115.55 133.78 55.7 Favored 'General case' 0 CA--C 1.509 -0.604 0 CA-C-N 112.392 -2.185 . . . . 15.0 108.973 -178.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 13.2 p -107.26 101.08 10.49 Favored 'General case' 0 C--N 1.314 -0.936 0 C-N-CA 119.717 -0.793 . . . . 15.0 109.366 164.556 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 9.8 t -130.85 126.49 36.36 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-O 121.899 0.857 . . . . 15.0 111.485 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.676 ' CZ3' ' HD2' ' A' ' 444' ' ' LYS . 47.0 m95 -82.92 -0.14 47.04 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 114.725 -1.125 . . . . 15.0 109.995 174.019 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -101.97 144.91 29.99 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.665 -0.698 . . . . 15.0 110.26 -177.608 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 30.3 tttm -89.05 112.46 51.09 Favored Pre-proline 0 C--N 1.322 -0.625 0 CA-C-N 115.857 -0.611 . . . . 15.0 109.526 -176.723 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 31.0 Cg_endo . . . . . 0 C--O 1.225 -0.145 0 C-N-CA 123.246 2.631 . . . . 15.0 111.817 -174.242 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 434' ' ' GLU . . . . . 0.677 ' HB2' ' HG2' ' A' ' 451' ' ' ARG . 13.2 pt-20 . . . . . 0 CA--C 1.514 -0.421 0 CA-C-O 120.933 0.397 . . . . 15.0 111.285 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.457 ' CD1' ' HG3' ' A' ' 434' ' ' GLU . 35.5 m95 -89.78 139.78 30.24 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 116.079 -0.509 . . . . 15.0 110.004 -174.326 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.675 ' HB ' ' O ' ' A' ' 448' ' ' TYR . 1.1 m -123.83 143.41 50.35 Favored 'General case' 0 N--CA 1.417 -2.088 0 C-N-CA 119.771 -0.772 . . . . 15.0 109.67 -178.834 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -111.5 131.21 55.39 Favored 'General case' 0 C--N 1.31 -1.116 0 CA-C-O 121.495 0.664 . . . . 15.0 110.697 173.845 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -129.57 150.3 50.96 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.331 -0.849 . . . . 15.0 110.622 -178.606 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 0.518 ' HE2' ' HA2' ' A' ' 443' ' ' GLY . 55.6 tttt -124.51 137.57 54.41 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 115.314 -0.857 . . . . 15.0 109.606 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 440' ' ' THR . . . . . 0.738 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 2.2 p -90.3 149.39 22.36 Favored 'General case' 0 N--CA 1.437 -1.123 0 N-CA-C 105.228 -2.138 . . . . 15.0 105.228 164.121 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -69.07 -2.45 10.13 Favored 'General case' 0 C--N 1.312 -1.056 0 C-N-CA 120.1 -0.64 . . . . 15.0 112.193 -168.211 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -84.29 -1.8 55.93 Favored 'General case' 0 CA--C 1.528 0.113 0 N-CA-C 109.01 -0.737 . . . . 15.0 109.01 172.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 443' ' ' GLY . . . . . 0.518 ' HA2' ' HE2' ' A' ' 439' ' ' LYS . . . 90.81 25.16 25.79 Favored Glycine 0 N--CA 1.441 -0.993 0 CA-C-N 114.639 -1.164 . . . . 15.0 113.25 173.323 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.738 ' HB2' ' OG1' ' A' ' 440' ' ' THR . 40.6 mttp -84.3 104.62 14.48 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 109.854 -0.424 . . . . 15.0 109.854 168.881 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 7.2 m -95.94 89.22 5.15 Favored 'General case' 0 N--CA 1.437 -1.107 0 C-N-CA 119.224 -0.99 . . . . 15.0 108.824 173.781 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 446' ' ' TYR . . . . . 0.577 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 27.2 p90 -94.41 150.01 20.68 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.439 -0.8 . . . . 15.0 110.171 172.796 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 79.3 m-85 -100.73 108.09 19.84 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.692 0.758 . . . . 15.0 111.371 -175.053 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 448' ' ' TYR . . . . . 0.865 ' HA ' ' O ' ' A' ' 454' ' ' TYR . 38.5 t80 -102.82 112.98 26.03 Favored 'General case' 0 C--O 1.212 -0.917 0 CA-C-N 114.306 -1.315 . . . . 15.0 109.234 178.332 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 1.041 ' HB3' ' CD1' ' A' ' 454' ' ' TYR . 1.3 t-20 -89.89 148.01 23.41 Favored 'General case' 0 CA--C 1.493 -1.219 0 O-C-N 121.941 -0.474 . . . . 15.0 110.078 -179.575 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -110.89 -1.11 16.6 Favored 'General case' 0 N--CA 1.444 -0.74 0 N-CA-C 113.621 0.971 . . . . 15.0 113.621 -157.768 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 451' ' ' ARG . . . . . 0.677 ' HG2' ' HB2' ' A' ' 434' ' ' GLU . 3.6 ptm180 -101.61 -32.28 10.43 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.194 -0.603 . . . . 15.0 110.397 172.638 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 452' ' ' THR . . . . . 0.694 ' HB ' ' CE1' ' A' ' 454' ' ' TYR . 10.1 m -118.23 -10.85 10.18 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.881 -0.6 . . . . 15.0 110.308 -178.521 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 453' ' ' LEU . . . . . 0.966 ' HA ' ' O ' ' A' ' 449' ' ' ASN . 0.3 OUTLIER 53.91 96.83 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 122.96 1.362 . . . . 15.0 113.546 178.25 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 454' ' ' TYR . . . . . 1.041 ' CD1' ' HB3' ' A' ' 449' ' ' ASN . 36.0 m-85 -116.83 143.86 45.18 Favored 'General case' 0 CA--C 1.51 -0.589 0 CA-C-N 112.764 -2.016 . . . . 15.0 108.831 -179.697 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 3.8 p -119.29 94.65 4.5 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-O 121.232 0.539 . . . . 15.0 109.904 165.288 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 4.1 t -117.75 125.37 50.51 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.48 0.657 . . . . 15.0 110.647 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.577 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 63.4 m95 -82.65 -8.22 59.61 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.95 -1.023 . . . . 15.0 110.399 178.401 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -104.69 133.03 50.21 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.44 -0.948 . . . . 15.0 108.44 177.039 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 19.9 ttmm -56.56 120.72 38.64 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 123.504 0.503 . . . . 15.0 110.007 -179.055 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_endo . . . . . 0 N--CA 1.462 -0.377 0 C-N-CA 122.19 1.926 . . . . 15.0 111.033 -174.367 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 434' ' ' GLU . . . . . 0.542 ' HB2' ' HG2' ' A' ' 451' ' ' ARG . 2.0 pm0 . . . . . 0 CA--C 1.513 -0.464 0 CA-C-O 120.957 0.408 . . . . 15.0 111.303 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.417 ' HA ' ' HB2' ' A' ' 449' ' ' ASN . 35.0 m95 -89.62 150.09 22.53 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 115.961 -0.563 . . . . 15.0 110.053 -172.704 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.596 ' HB ' ' O ' ' A' ' 448' ' ' TYR . 1.1 m -132.62 144.33 50.29 Favored 'General case' 0 N--CA 1.418 -2.065 0 C-N-CA 119.814 -0.755 . . . . 15.0 110.035 178.122 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 437' ' ' GLU . . . . . 0.408 ' O ' ' HG2' ' A' ' 437' ' ' GLU . 1.3 pm0 -110.28 126.6 54.36 Favored 'General case' 0 C--N 1.312 -1.031 0 CA-C-O 121.649 0.738 . . . . 15.0 110.691 170.605 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -119.56 150.3 40.5 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.492 -0.776 . . . . 15.0 110.225 179.269 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 0.494 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 2.2 mppt? -119.14 145.44 45.96 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 122.044 0.926 . . . . 15.0 112.086 179.701 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 440' ' ' THR . . . . . 0.448 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 67.3 p -89.81 150.93 22.04 Favored 'General case' 0 C--N 1.309 -1.185 0 CA-C-N 113.586 -1.643 . . . . 15.0 107.324 168.075 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -47.07 -26.88 1.17 Allowed 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 112.936 0.717 . . . . 15.0 112.936 178.612 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -88.4 -0.69 57.46 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-O 121.101 0.477 . . . . 15.0 111.474 178.178 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.01 30.32 13.11 Favored Glycine 0 CA--C 1.502 -0.779 0 CA-C-N 116.099 -0.5 . . . . 15.0 112.919 170.35 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.494 ' O ' ' HA ' ' A' ' 439' ' ' LYS . 64.9 mttm -71.72 103.17 2.99 Favored 'General case' 0 CA--C 1.502 -0.873 0 N-CA-C 109.117 -0.697 . . . . 15.0 109.117 168.057 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 13.2 m -89.88 89.31 7.68 Favored 'General case' 0 N--CA 1.431 -1.404 0 C-N-CA 119.245 -0.982 . . . . 15.0 108.526 173.818 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 446' ' ' TYR . . . . . 0.57 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 7.5 p90 -102.6 143.76 31.87 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.688 -0.687 . . . . 15.0 110.078 172.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -92.62 99.91 12.53 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 121.83 0.824 . . . . 15.0 111.528 -174.083 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 448' ' ' TYR . . . . . 0.8 ' HA ' ' O ' ' A' ' 454' ' ' TYR . 43.4 t80 -96.69 111.97 23.91 Favored 'General case' 0 N--CA 1.443 -0.81 0 CA-C-N 114.439 -1.255 . . . . 15.0 108.829 174.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.985 ' HB3' ' CD1' ' A' ' 454' ' ' TYR . 1.6 t-20 -89.72 145.98 24.83 Favored 'General case' 0 CA--C 1.491 -1.302 0 O-C-N 121.825 -0.547 . . . . 15.0 110.292 -179.364 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -109.97 -1.31 17.75 Favored 'General case' 0 N--CA 1.444 -0.759 0 N-CA-C 113.135 0.791 . . . . 15.0 113.135 -159.556 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 451' ' ' ARG . . . . . 0.549 ' HG3' ' N ' ' A' ' 452' ' ' THR . 7.9 ptt180 -91.52 -34.56 14.73 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.532 0.682 . . . . 15.0 109.837 172.689 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 452' ' ' THR . . . . . 0.761 ' HB ' ' CE1' ' A' ' 454' ' ' TYR . 26.4 m -126.26 -11.35 6.37 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.067 -0.97 . . . . 15.0 110.144 -172.522 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 453' ' ' LEU . . . . . 0.928 ' HA ' ' O ' ' A' ' 449' ' ' ASN 0.256 0.3 OUTLIER 56.61 92.91 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 122.734 1.254 . . . . 15.0 113.059 178.218 . . . . . . . . 4 4 . 1 . 003 nuclear build core ' A' A ' 454' ' ' TYR . . . . . 0.985 ' CD1' ' HB3' ' A' ' 449' ' ' ASN . 22.0 m-85 -113.3 134.24 54.71 Favored 'General case' 0 CA--C 1.512 -0.493 0 CA-C-N 112.803 -1.999 . . . . 15.0 108.905 -179.059 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 3.4 p -105.97 98.71 8.36 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.682 -0.488 . . . . 15.0 109.682 167.75 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 4.5 t -130.2 124.78 33.36 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.671 0.748 . . . . 15.0 111.02 179.581 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.57 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 29.4 m95 -86.9 -5.88 58.96 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 114.976 -1.011 . . . . 15.0 109.296 175.047 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -92.27 136.56 33.1 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.008 -0.996 . . . . 15.0 109.453 175.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 56.3 tttt -77.96 118.95 75.37 Favored Pre-proline 0 C--N 1.321 -0.632 0 N-CA-C 109.326 -0.62 . . . . 15.0 109.326 -179.261 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_endo . . . . . 0 N--CA 1.461 -0.427 0 C-N-CA 122.208 1.939 . . . . 15.0 111.87 -173.485 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 434' ' ' GLU . . . . . 0.488 ' HG3' ' CD1' ' A' ' 435' ' ' TRP . 6.9 pt-20 . . . . . 0 CA--C 1.517 -0.31 0 CA-C-O 120.925 0.393 . . . . 15.0 111.388 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.507 ' CZ3' ' HG3' ' A' ' 460' ' ' PRO . 43.8 m95 -89.56 147.43 23.95 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.976 -0.556 . . . . 15.0 110.406 -170.724 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.701 ' HB ' ' O ' ' A' ' 448' ' ' TYR . 1.1 m -124.77 140.5 52.87 Favored 'General case' 0 N--CA 1.42 -1.93 0 N-CA-C 108.804 -0.813 . . . . 15.0 108.804 179.794 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -110.45 132.17 54.41 Favored 'General case' 0 C--N 1.309 -1.166 0 C-N-CA 119.935 -0.706 . . . . 15.0 110.864 176.749 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -123.94 150.29 44.92 Favored 'General case' 0 CA--C 1.512 -0.506 0 CA-C-N 115.558 -0.747 . . . . 15.0 110.481 178.124 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 0.634 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 0.0 OUTLIER -120.51 145.81 46.92 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 115.229 -0.896 . . . . 15.0 110.905 172.704 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 440' ' ' THR . . . . . 0.409 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 63.9 p -89.79 150.98 22.03 Favored 'General case' 0 C--N 1.307 -1.266 0 N-CA-C 107.061 -1.459 . . . . 15.0 107.061 167.14 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -45.13 -33.03 2.02 Favored 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 112.413 0.523 . . . . 15.0 112.413 178.02 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -81.34 -0.6 41.85 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-O 120.934 0.397 . . . . 15.0 111.669 179.067 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.32 30.33 12.54 Favored Glycine 0 CA--C 1.503 -0.668 0 CA-C-N 116.366 -0.379 . . . . 15.0 113.004 170.438 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.634 ' O ' ' HA ' ' A' ' 439' ' ' LYS . 48.0 mttm -73.99 108.33 6.74 Favored 'General case' 0 CA--C 1.503 -0.859 0 N-CA-C 109.487 -0.56 . . . . 15.0 109.487 169.523 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 18.7 m -93.57 89.37 6.23 Favored 'General case' 0 N--CA 1.435 -1.187 0 C-N-CA 119.213 -0.995 . . . . 15.0 108.782 174.088 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 446' ' ' TYR . . . . . 0.538 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 26.8 p90 -104.7 147.76 27.32 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.611 -0.722 . . . . 15.0 110.071 172.715 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -102.14 112.86 25.68 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-O 121.625 0.726 . . . . 15.0 111.518 -174.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 448' ' ' TYR . . . . . 0.762 ' HA ' ' O ' ' A' ' 454' ' ' TYR . 63.2 t80 -108.39 112.68 25.23 Favored 'General case' 0 C--O 1.214 -0.812 0 CA-C-N 114.587 -1.188 . . . . 15.0 108.647 174.468 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 1.019 ' HB3' ' HD1' ' A' ' 454' ' ' TYR . 2.1 t-20 -90.01 149.66 22.45 Favored 'General case' 0 CA--C 1.495 -1.141 0 O-C-N 122.13 -0.356 . . . . 15.0 110.475 -177.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -113.4 -2.81 13.86 Favored 'General case' 0 N--CA 1.445 -0.702 0 O-C-N 124.231 0.957 . . . . 15.0 112.294 -160.466 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 26.1 ttp180 -93.82 -42.23 9.22 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.611 0.72 . . . . 15.0 109.918 173.772 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 452' ' ' THR . . . . . 0.445 ' O ' ' HG ' ' A' ' 453' ' ' LEU . 0.0 OUTLIER -116.8 -7.92 11.42 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 114.992 -1.004 . . . . 15.0 110.734 -176.403 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 453' ' ' LEU . . . . . 0.972 ' HA ' ' O ' ' A' ' 449' ' ' ASN 0.257 2.1 pp 52.36 100.12 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 123.122 1.439 . . . . 15.0 113.983 -179.567 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 454' ' ' TYR . . . . . 1.019 ' HD1' ' HB3' ' A' ' 449' ' ' ASN . 26.2 m-85 -121.54 148.67 44.18 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-N 112.857 -1.974 . . . . 15.0 108.77 -179.03 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 13.2 p -123.69 103.68 8.54 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 109.979 -0.378 . . . . 15.0 109.979 166.856 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 5.5 t -135.07 123.54 23.37 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.339 0.59 . . . . 15.0 111.215 -178.694 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.538 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 45.5 m95 -75.49 -16.77 60.26 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.451 -0.795 . . . . 15.0 110.18 173.801 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -84.72 139.42 32.01 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.463 -0.79 . . . . 15.0 109.917 176.315 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 24.5 tttm -71.88 121.32 84.23 Favored Pre-proline 0 C--N 1.323 -0.58 0 N-CA-C 109.214 -0.661 . . . . 15.0 109.214 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 460' ' ' PRO . . . . . 0.507 ' HG3' ' CZ3' ' A' ' 435' ' ' TRP . 82.0 Cg_exo . . . . . 0 C--N 1.344 0.322 0 C-N-CA 124.27 3.313 . . . . 15.0 113.994 -175.571 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 434' ' ' GLU . . . . . 0.484 ' HG3' ' CD1' ' A' ' 435' ' ' TRP . 9.5 pt-20 . . . . . 0 CA--C 1.519 -0.24 0 N-CA-C 112.146 0.424 . . . . 15.0 112.146 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.484 ' CD1' ' HG3' ' A' ' 434' ' ' GLU . 42.5 m95 -89.76 140.71 29.32 Favored 'General case' 0 C--N 1.319 -0.761 0 N-CA-C 109.7 -0.482 . . . . 15.0 109.7 -173.764 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.78 ' HB ' ' O ' ' A' ' 448' ' ' TYR . 1.1 m -119.27 139.49 51.83 Favored 'General case' 0 N--CA 1.416 -2.156 0 N-CA-C 108.334 -0.987 . . . . 15.0 108.334 -177.608 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -109.94 133.45 53.16 Favored 'General case' 0 C--N 1.311 -1.107 0 C-N-CA 119.668 -0.813 . . . . 15.0 111.695 178.567 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -126.08 150.31 48.26 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-N 115.777 -0.647 . . . . 15.0 110.746 178.202 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 0.613 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 0.0 OUTLIER -122.89 146.29 47.71 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 115.318 -0.855 . . . . 15.0 110.882 171.283 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 440' ' ' THR . . . . . 0.462 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 81.9 p -89.98 150.95 21.91 Favored 'General case' 0 C--N 1.308 -1.205 0 N-CA-C 107.429 -1.323 . . . . 15.0 107.429 166.655 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -47.86 -24.04 0.9 Allowed 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 112.802 0.667 . . . . 15.0 112.802 177.804 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 442' ' ' ASP . . . . . 0.408 ' OD2' ' HG3' ' A' ' 444' ' ' LYS . 3.7 p-10 -87.4 -1.01 57.62 Favored 'General case' 0 N--CA 1.468 0.439 0 O-C-N 121.992 -0.443 . . . . 15.0 111.598 177.812 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.52 29.88 13.09 Favored Glycine 0 CA--C 1.504 -0.61 0 CA-C-N 116.36 -0.382 . . . . 15.0 112.937 171.178 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.613 ' O ' ' HA ' ' A' ' 439' ' ' LYS . 63.3 mttp -75.74 104.64 6.38 Favored 'General case' 0 CA--C 1.505 -0.756 0 N-CA-C 109.916 -0.401 . . . . 15.0 109.916 169.304 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 23.9 m -90.03 89.41 7.69 Favored 'General case' 0 N--CA 1.438 -1.069 0 C-N-CA 119.224 -0.991 . . . . 15.0 108.769 173.57 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 446' ' ' TYR . . . . . 0.545 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 11.3 p90 -104.42 145.51 30.17 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.607 -0.724 . . . . 15.0 109.815 172.133 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -102.55 113.68 27.26 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-O 121.723 0.773 . . . . 15.0 111.522 -173.83 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 448' ' ' TYR . . . . . 0.904 ' HA ' ' O ' ' A' ' 454' ' ' TYR . 57.5 t80 -106.63 109.21 21.06 Favored 'General case' 0 C--O 1.209 -1.076 0 CA-C-N 114.438 -1.255 . . . . 15.0 108.842 176.626 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 1.04 ' HB3' ' CD1' ' A' ' 454' ' ' TYR . 1.5 t-20 -89.91 147.71 23.57 Favored 'General case' 0 CA--C 1.491 -1.313 0 O-C-N 121.839 -0.538 . . . . 15.0 110.881 -176.519 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -110.02 3.27 20.23 Favored 'General case' 0 N--CA 1.445 -0.676 0 N-CA-C 113.129 0.789 . . . . 15.0 113.129 -159.715 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 451' ' ' ARG . . . . . 0.45 ' HG3' ' OG1' ' A' ' 452' ' ' THR . 16.8 ptm180 -101.14 -30.63 11.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.281 0.562 . . . . 15.0 110.015 171.799 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 452' ' ' THR . . . . . 0.782 ' HB ' ' CE1' ' A' ' 454' ' ' TYR . 4.9 m -124.27 -9.11 7.56 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.384 -0.825 . . . . 15.0 110.344 -176.301 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 453' ' ' LEU . . . . . 0.915 ' HA ' ' O ' ' A' ' 449' ' ' ASN 0.254 0.2 OUTLIER 53.2 88.83 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 122.787 1.279 . . . . 15.0 113.155 177.998 . . . . . . . . 4 4 . 1 . 005 nuclear build core ' A' A ' 454' ' ' TYR . . . . . 1.04 ' CD1' ' HB3' ' A' ' 449' ' ' ASN . 46.7 m-85 -109.9 138.06 46.8 Favored 'General case' 0 CA--C 1.507 -0.705 0 CA-C-N 112.686 -2.052 . . . . 15.0 109.168 -179.031 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 3.8 p -113.28 105.19 13.12 Favored 'General case' 0 C--N 1.314 -0.935 0 N-CA-C 109.36 -0.607 . . . . 15.0 109.36 164.693 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 9.1 t -137.55 124.77 21.71 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.308 0.575 . . . . 15.0 110.744 179.657 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.554 ' CZ3' ' HD3' ' A' ' 444' ' ' LYS . 36.6 m95 -74.4 -6.48 48.45 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.623 -0.717 . . . . 15.0 110.994 175.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -101.23 143.64 31.06 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.999 0.428 . . . . 15.0 110.677 -176.159 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 33.7 ttmt -82.79 118.6 72.33 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 115.792 -0.64 . . . . 15.0 110.261 179.508 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo . . . . . 0 C--O 1.235 0.338 0 C-N-CA 122.891 2.394 . . . . 15.0 112.735 -177.979 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 434' ' ' GLU . . . . . 0.498 ' HB2' ' HG2' ' A' ' 451' ' ' ARG . 1.2 pm0 . . . . . 0 CA--C 1.512 -0.482 0 CA-C-O 120.88 0.371 . . . . 15.0 111.705 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.47 ' CD1' ' HG2' ' A' ' 434' ' ' GLU . 45.0 m95 -89.46 138.96 31.0 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 116.208 -0.451 . . . . 15.0 109.877 -173.251 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.803 ' HB ' ' O ' ' A' ' 448' ' ' TYR . 1.1 m -118.26 131.51 56.35 Favored 'General case' 0 N--CA 1.415 -2.202 0 N-CA-C 108.435 -0.95 . . . . 15.0 108.435 -176.728 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.17 130.15 50.28 Favored 'General case' 0 C--N 1.309 -1.156 0 C-N-CA 118.975 -1.09 . . . . 15.0 111.223 177.236 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -122.77 150.11 43.23 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.666 -0.697 . . . . 15.0 110.882 178.096 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 0.607 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 0.1 OUTLIER -125.8 145.88 50.03 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.418 -0.81 . . . . 15.0 110.74 173.021 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 440' ' ' THR . . . . . 0.521 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 65.6 p -89.67 150.78 22.2 Favored 'General case' 0 C--N 1.31 -1.135 0 N-CA-C 107.093 -1.447 . . . . 15.0 107.093 167.264 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -46.64 -24.9 0.61 Allowed 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 113.183 0.809 . . . . 15.0 113.183 -179.666 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 442' ' ' ASP . . . . . 0.513 ' OD2' ' HG3' ' A' ' 444' ' ' LYS . 7.1 p-10 -85.98 -2.02 57.89 Favored 'General case' 0 N--CA 1.47 0.531 0 O-C-N 122.031 -0.418 . . . . 15.0 111.393 178.012 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.08 30.36 12.89 Favored Glycine 0 CA--C 1.505 -0.583 0 CA-C-N 115.981 -0.554 . . . . 15.0 113.132 171.53 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.607 ' O ' ' HA ' ' A' ' 439' ' ' LYS . 51.9 mttp -73.46 107.48 5.77 Favored 'General case' 0 CA--C 1.504 -0.794 0 N-CA-C 109.93 -0.396 . . . . 15.0 109.93 169.546 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 445' ' ' THR . . . . . 0.59 HG23 ' HD2' ' A' ' 439' ' ' LYS . 14.0 m -92.47 89.4 6.75 Favored 'General case' 0 N--CA 1.435 -1.203 0 C-N-CA 119.338 -0.945 . . . . 15.0 109.29 176.15 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 446' ' ' TYR . . . . . 0.622 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 5.4 p90 -105.81 144.05 33.1 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.424 -0.807 . . . . 15.0 110.562 171.691 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -99.26 117.91 34.76 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-O 121.6 0.714 . . . . 15.0 111.405 -175.738 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 448' ' ' TYR . . . . . 0.847 ' HA ' ' O ' ' A' ' 454' ' ' TYR . 47.3 t80 -112.75 108.9 18.09 Favored 'General case' 0 C--O 1.209 -1.048 0 CA-C-N 114.539 -1.21 . . . . 15.0 108.502 175.203 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 1.029 ' HB3' ' CD1' ' A' ' 454' ' ' TYR . 2.2 t-20 -90.07 144.93 25.46 Favored 'General case' 0 C--O 1.203 -1.374 0 O-C-N 121.69 -0.631 . . . . 15.0 111.361 -176.636 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -107.11 2.55 24.98 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 115.317 -0.856 . . . . 15.0 113.107 -162.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 451' ' ' ARG . . . . . 0.564 ' HG3' ' OG1' ' A' ' 452' ' ' THR . 10.8 ptt180 -93.47 -25.96 17.4 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 121.467 0.651 . . . . 15.0 109.77 172.568 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 452' ' ' THR . . . . . 0.76 ' HB ' ' CE1' ' A' ' 454' ' ' TYR . 16.1 m -136.67 -12.76 1.75 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.137 -0.938 . . . . 15.0 110.585 -171.684 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 453' ' ' LEU . . . . . 0.867 ' HA ' ' O ' ' A' ' 449' ' ' ASN 0.267 0.3 OUTLIER 57.18 86.0 0.08 Allowed 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 122.886 1.326 . . . . 15.0 112.764 179.846 . . . . . . . . 4 4 . 1 . 006 nuclear build core ' A' A ' 454' ' ' TYR . . . . . 1.029 ' CD1' ' HB3' ' A' ' 449' ' ' ASN . 32.4 m-85 -106.56 146.34 30.77 Favored 'General case' 0 CA--C 1.511 -0.519 0 CA-C-N 112.635 -2.075 . . . . 15.0 108.586 178.36 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 5.7 p -122.34 96.74 5.16 Favored 'General case' 0 C--N 1.319 -0.739 0 C-N-CA 120.535 -0.466 . . . . 15.0 109.876 166.048 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 4.2 t -123.6 123.79 41.36 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.548 0.69 . . . . 15.0 110.93 -178.599 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.622 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 51.8 m95 -82.91 -0.16 47.11 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.197 -0.91 . . . . 15.0 110.175 175.498 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -108.98 142.4 39.7 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.865 -0.607 . . . . 15.0 109.962 179.614 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 23.4 ttmm -74.06 121.59 85.55 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.469 -0.332 . . . . 15.0 110.597 -178.715 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_endo . . . . . 0 C--O 1.235 0.347 0 C-N-CA 122.866 2.377 . . . . 15.0 112.655 -179.436 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 434' ' ' GLU . . . . . 0.411 ' CB ' ' HD3' ' A' ' 451' ' ' ARG . 1.5 pm0 . . . . . 0 CA--C 1.512 -0.496 0 CA-C-O 121.091 0.472 . . . . 15.0 110.48 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.484 ' HA ' ' HB2' ' A' ' 449' ' ' ASN . 43.7 m95 -89.55 138.54 31.37 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.491 -0.777 . . . . 15.0 109.586 -175.162 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.763 ' HB ' ' O ' ' A' ' 448' ' ' TYR . 1.1 m -120.3 139.48 52.66 Favored 'General case' 0 N--CA 1.417 -2.116 0 C-N-CA 119.432 -0.907 . . . . 15.0 108.931 -177.435 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -110.44 133.79 52.94 Favored 'General case' 0 C--N 1.306 -1.308 0 CA-C-O 121.522 0.677 . . . . 15.0 110.692 176.232 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -129.08 150.14 50.6 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.439 -0.8 . . . . 15.0 110.1 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 0.567 ' HE3' ' OG1' ' A' ' 445' ' ' THR . 3.6 mptt -120.98 150.1 41.64 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-O 122.37 1.081 . . . . 15.0 112.065 174.671 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 440' ' ' THR . . . . . 0.628 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 1.6 p -106.05 150.23 25.95 Favored 'General case' 0 C--N 1.301 -1.513 0 CA-C-N 113.159 -1.837 . . . . 15.0 107.847 167.298 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -57.08 -12.55 2.21 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 113.159 0.8 . . . . 15.0 113.159 -172.614 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 21.0 p30 -86.57 -0.26 55.78 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.903 0.382 . . . . 15.0 111.107 177.176 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.05 30.24 13.24 Favored Glycine 0 CA--C 1.507 -0.407 0 CA-C-N 115.945 -0.571 . . . . 15.0 112.71 171.265 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.628 ' HB2' ' OG1' ' A' ' 440' ' ' THR . 62.5 mttt -90.73 113.57 25.7 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.4 -0.4 . . . . 15.0 110.521 174.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 445' ' ' THR . . . . . 0.567 ' OG1' ' HE3' ' A' ' 439' ' ' LYS . 4.4 m -96.85 89.57 4.93 Favored 'General case' 0 N--CA 1.437 -1.078 0 C-N-CA 119.619 -0.833 . . . . 15.0 108.863 171.618 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 446' ' ' TYR . . . . . 0.621 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 21.7 p90 -99.41 144.85 28.05 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 116.052 -0.522 . . . . 15.0 110.191 173.52 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 59.7 m-85 -98.38 114.25 26.52 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.506 0.67 . . . . 15.0 111.838 -173.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 448' ' ' TYR . . . . . 0.887 ' HA ' ' O ' ' A' ' 454' ' ' TYR . 71.7 t80 -108.25 108.96 20.19 Favored 'General case' 0 C--O 1.211 -0.951 0 CA-C-N 114.464 -1.244 . . . . 15.0 108.482 174.205 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.976 ' HB3' ' CD1' ' A' ' 454' ' ' TYR . 1.6 t-20 -89.7 143.01 27.15 Favored 'General case' 0 CA--C 1.49 -1.362 0 O-C-N 121.837 -0.539 . . . . 15.0 110.705 -177.014 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -105.96 0.71 25.98 Favored 'General case' 0 N--CA 1.442 -0.846 0 CA-C-N 114.899 -1.046 . . . . 15.0 113.134 -162.597 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 451' ' ' ARG . . . . . 0.517 ' HG2' ' OD1' ' A' ' 449' ' ' ASN . 27.2 ptt180 -92.19 -20.49 21.15 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 121.413 0.625 . . . . 15.0 110.111 174.585 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 452' ' ' THR . . . . . 0.674 ' HB ' ' CE1' ' A' ' 454' ' ' TYR . 57.9 m -148.26 -9.94 0.38 Allowed 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.394 -0.821 . . . . 15.0 110.569 -171.026 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 453' ' ' LEU . . . . . 0.858 ' HA ' ' O ' ' A' ' 449' ' ' ASN 0.286 3.2 pp 60.01 94.8 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 123.327 1.537 . . . . 15.0 113.417 175.001 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 454' ' ' TYR . . . . . 0.976 ' CD1' ' HB3' ' A' ' 449' ' ' ASN . 18.2 m-85 -118.55 146.09 44.85 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 112.298 -2.228 . . . . 15.0 108.218 -178.772 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 3.4 p -123.77 94.38 4.22 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-O 121.17 0.51 . . . . 15.0 110.208 167.791 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 3.0 t -122.25 123.07 40.59 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.651 -0.704 . . . . 15.0 110.556 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.621 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 40.7 m95 -80.8 -8.4 59.68 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.491 -0.777 . . . . 15.0 109.857 177.12 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -97.06 141.36 30.3 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.516 -0.765 . . . . 15.0 110.178 179.382 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 38.2 tttt -72.89 120.15 79.32 Favored Pre-proline 0 C--N 1.322 -0.61 0 CA-C-N 115.42 -0.809 . . . . 15.0 110.353 -177.635 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo . . . . . 0 N--CA 1.461 -0.394 0 C-N-CA 122.896 2.398 . . . . 15.0 112.053 -177.503 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 434' ' ' GLU . . . . . 0.484 ' HG3' ' CD1' ' A' ' 435' ' ' TRP . 8.7 pt-20 . . . . . 0 CA--C 1.51 -0.589 0 CA-C-O 121.084 0.469 . . . . 15.0 110.769 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.484 ' CD1' ' HG3' ' A' ' 434' ' ' GLU . 45.1 m95 -89.51 141.14 28.85 Favored 'General case' 0 N--CA 1.44 -0.963 0 CA-C-N 115.575 -0.738 . . . . 15.0 109.35 -174.558 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.688 ' HB ' ' O ' ' A' ' 448' ' ' TYR . 1.1 m -123.35 142.67 50.72 Favored 'General case' 0 N--CA 1.412 -2.343 0 C-N-CA 119.522 -0.871 . . . . 15.0 109.378 -178.551 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 3.5 pm0 -113.32 130.33 56.3 Favored 'General case' 0 C--N 1.309 -1.19 0 CA-C-O 121.634 0.73 . . . . 15.0 111.09 173.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -125.53 150.24 47.6 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.338 -0.846 . . . . 15.0 110.11 177.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 0.559 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 11.8 mptt -118.59 150.1 40.24 Favored 'General case' 0 CA--C 1.503 -0.851 0 CA-C-O 121.963 0.887 . . . . 15.0 111.704 174.737 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 440' ' ' THR . . . . . 0.456 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 66.3 p -91.47 150.76 21.08 Favored 'General case' 0 C--N 1.304 -1.409 0 CA-C-N 113.507 -1.679 . . . . 15.0 107.769 169.315 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -44.61 -30.42 0.91 Allowed 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 112.581 0.586 . . . . 15.0 112.581 175.715 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 442' ' ' ASP . . . . . 0.408 ' OD2' ' HG3' ' A' ' 444' ' ' LYS . 5.3 p-10 -86.16 0.6 53.23 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-O 120.772 0.32 . . . . 15.0 111.579 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.6 29.87 12.94 Favored Glycine 0 CA--C 1.508 -0.384 0 CA-C-N 116.368 -0.378 . . . . 15.0 113.137 169.692 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.559 ' O ' ' HA ' ' A' ' 439' ' ' LYS . 57.6 mttp -75.97 108.98 9.23 Favored 'General case' 0 CA--C 1.508 -0.661 0 N-CA-C 110.261 -0.274 . . . . 15.0 110.261 172.214 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 31.9 m -91.76 89.53 7.13 Favored 'General case' 0 N--CA 1.438 -1.035 0 C-N-CA 119.538 -0.865 . . . . 15.0 109.096 174.03 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 446' ' ' TYR . . . . . 0.593 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 20.3 p90 -106.04 146.05 30.62 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.594 -0.73 . . . . 15.0 110.081 173.229 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -99.58 110.66 23.08 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.849 0.833 . . . . 15.0 111.231 -175.105 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 448' ' ' TYR . . . . . 0.888 ' HA ' ' O ' ' A' ' 454' ' ' TYR . 56.5 t80 -108.23 110.23 21.79 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 114.106 -1.407 . . . . 15.0 108.839 177.147 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.984 ' HB3' ' CD1' ' A' ' 454' ' ' TYR . 1.4 t-20 -89.71 147.4 23.88 Favored 'General case' 0 CA--C 1.494 -1.194 0 O-C-N 122.057 -0.402 . . . . 15.0 110.596 -177.07 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -112.34 6.43 18.79 Favored 'General case' 0 N--CA 1.447 -0.62 0 O-C-N 123.91 0.756 . . . . 15.0 112.853 -159.823 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 451' ' ' ARG . . . . . 0.438 ' HG2' ' OD1' ' A' ' 449' ' ' ASN . 12.3 ptm180 -100.54 -26.77 13.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.561 0.696 . . . . 15.0 109.822 171.7 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 452' ' ' THR . . . . . 0.699 ' HB ' ' CE1' ' A' ' 454' ' ' TYR . 39.2 m -136.04 -7.0 2.09 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.089 -0.959 . . . . 15.0 110.347 -173.332 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 453' ' ' LEU . . . . . 0.915 ' HA ' ' O ' ' A' ' 449' ' ' ASN 0.252 0.3 OUTLIER 54.79 92.11 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 122.96 1.362 . . . . 15.0 113.216 174.534 . . . . . . . . 4 4 . 1 . 008 nuclear build core ' A' A ' 454' ' ' TYR . . . . . 0.984 ' CD1' ' HB3' ' A' ' 449' ' ' ASN . 32.1 m-85 -113.61 142.18 46.29 Favored 'General case' 0 CA--C 1.508 -0.635 0 CA-C-N 112.538 -2.119 . . . . 15.0 108.8 -178.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 4.4 p -118.25 90.65 3.38 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 121.42 0.629 . . . . 15.0 110.227 168.158 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 3.5 t -117.84 123.16 45.23 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.345 -0.843 . . . . 15.0 110.691 -178.716 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.593 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 55.0 m95 -81.79 0.22 40.24 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 114.921 -1.036 . . . . 15.0 111.184 179.36 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -120.8 141.02 50.91 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.943 -0.571 . . . . 15.0 110.517 179.323 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 4.0 ttmp? -75.84 121.86 85.87 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.126 -0.488 . . . . 15.0 111.813 -176.017 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo . . . . . 0 CA--C 1.53 0.32 0 C-N-CA 122.733 2.288 . . . . 15.0 111.296 172.271 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 434' ' ' GLU . . . . . 0.476 ' HG3' ' CD1' ' A' ' 435' ' ' TRP . 7.7 pt-20 . . . . . 0 N--CA 1.452 -0.357 0 CA-C-O 120.869 0.366 . . . . 15.0 111.45 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.526 ' HA ' ' HB2' ' A' ' 449' ' ' ASN . 47.4 m95 -89.55 145.71 25.09 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.211 -0.449 . . . . 15.0 110.057 -172.17 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.559 ' HB ' ' O ' ' A' ' 448' ' ' TYR . 1.1 m -127.6 123.76 36.47 Favored 'General case' 0 N--CA 1.415 -2.218 0 C-N-CA 119.731 -0.788 . . . . 15.0 109.283 -178.001 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 437' ' ' GLU . . . . . 0.478 ' HB3' ' CD1' ' A' ' 447' ' ' TYR . 0.5 OUTLIER -101.06 128.99 46.87 Favored 'General case' 0 C--N 1.304 -1.399 0 C-N-CA 118.355 -1.338 . . . . 15.0 111.088 176.678 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 47.6 m-85 -111.67 150.03 30.73 Favored 'General case' 0 C--N 1.31 -1.14 0 CA-C-N 114.632 -1.167 . . . . 15.0 109.371 179.718 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 0.591 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 0.0 OUTLIER -118.51 144.58 45.94 Favored 'General case' 0 CA--C 1.498 -1.053 0 CA-C-O 122.107 0.956 . . . . 15.0 112.279 176.977 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 440' ' ' THR . . . . . 0.508 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 70.1 p -92.32 150.49 20.82 Favored 'General case' 0 C--N 1.301 -1.528 0 CA-C-N 113.537 -1.665 . . . . 15.0 107.653 169.303 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -57.14 -15.69 6.12 Favored 'General case' 0 C--N 1.314 -0.962 0 N-CA-C 112.463 0.542 . . . . 15.0 112.463 -179.19 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -93.58 3.68 55.13 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 121.132 0.491 . . . . 15.0 111.166 176.47 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.73 29.77 12.84 Favored Glycine 0 N--CA 1.449 -0.497 0 CA-C-N 115.98 -0.554 . . . . 15.0 113.227 170.443 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.591 ' O ' ' HA ' ' A' ' 439' ' ' LYS . 53.2 mttp -81.66 111.55 18.04 Favored 'General case' 0 CA--C 1.507 -0.694 0 N-CA-C 110.089 -0.337 . . . . 15.0 110.089 170.045 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 26.4 m -99.25 89.47 4.23 Favored 'General case' 0 N--CA 1.439 -0.976 0 C-N-CA 119.63 -0.828 . . . . 15.0 108.893 171.727 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 446' ' ' TYR . . . . . 0.539 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 18.1 p90 -102.08 150.02 23.67 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.425 -0.807 . . . . 15.0 110.138 175.495 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 447' ' ' TYR . . . . . 0.613 ' CD2' ' HD3' ' A' ' 460' ' ' PRO . 87.5 m-85 -103.42 109.13 20.65 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-O 122.098 0.951 . . . . 15.0 112.255 -171.565 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 448' ' ' TYR . . . . . 0.805 ' HA ' ' O ' ' A' ' 454' ' ' TYR . 37.4 t80 -109.83 111.09 22.3 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 113.833 -1.53 . . . . 15.0 108.537 173.155 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 1.062 ' HB3' ' HD1' ' A' ' 454' ' ' TYR . 1.3 t-20 -89.62 149.26 22.9 Favored 'General case' 0 CA--C 1.493 -1.233 0 O-C-N 121.804 -0.56 . . . . 15.0 110.477 -176.568 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -109.99 -3.67 16.37 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.193 -0.912 . . . . 15.0 111.473 -162.046 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 69.3 ttt180 -88.97 -64.4 1.15 Allowed 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.692 0.758 . . . . 15.0 109.166 173.527 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 452' ' ' THR . . . . . 0.405 ' O ' ' HG ' ' A' ' 453' ' ' LEU . 0.0 OUTLIER -97.64 -4.91 36.52 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 114.49 -1.232 . . . . 15.0 110.87 -177.166 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 453' ' ' LEU . . . . . 0.999 ' HA ' ' O ' ' A' ' 449' ' ' ASN . 0.3 OUTLIER 49.21 100.61 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 122.762 1.268 . . . . 15.0 114.13 -178.936 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 454' ' ' TYR . . . . . 1.062 ' HD1' ' HB3' ' A' ' 449' ' ' ASN . 29.0 m-85 -120.61 150.17 41.33 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 113.028 -1.896 . . . . 15.0 108.931 -178.151 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 12.4 p -124.51 103.51 8.2 Favored 'General case' 0 C--N 1.317 -0.835 0 C-N-CA 120.289 -0.565 . . . . 15.0 109.963 162.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 456' ' ' THR . . . . . 0.487 ' OG1' ' HG3' ' A' ' 458' ' ' GLU . 6.4 t -128.65 128.42 44.11 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.552 0.692 . . . . 15.0 110.551 176.813 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.539 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 95.5 m95 -81.22 0.09 38.2 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.1 -0.954 . . . . 15.0 111.636 178.681 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 458' ' ' GLU . . . . . 0.487 ' HG3' ' OG1' ' A' ' 456' ' ' THR . 0.5 OUTLIER -116.93 152.43 34.55 Favored 'General case' 0 N--CA 1.44 -0.927 0 CA-C-N 116.203 -0.453 . . . . 15.0 110.166 177.322 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 459' ' ' LYS . . . . . 0.48 ' HA ' ' CE2' ' A' ' 447' ' ' TYR . 22.9 ttmm -61.6 125.54 84.79 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 115.797 -0.638 . . . . 15.0 110.26 -178.85 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 460' ' ' PRO . . . . . 0.613 ' HD3' ' CD2' ' A' ' 447' ' ' TYR . 54.5 Cg_exo . . . . . 0 C--N 1.345 0.347 0 C-N-CA 123.326 2.684 . . . . 15.0 112.95 -175.514 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 434' ' ' GLU . . . . . 0.714 ' HB2' ' HG2' ' A' ' 451' ' ' ARG . 8.4 pt-20 . . . . . 0 CA--C 1.511 -0.528 0 CA-C-O 121.011 0.434 . . . . 15.0 111.17 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.547 ' HA ' ' HB2' ' A' ' 449' ' ' ASN . 50.7 m95 -89.6 137.71 32.09 Favored 'General case' 0 CA--C 1.499 -1.018 0 N-CA-C 109.1 -0.704 . . . . 15.0 109.1 -177.581 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.711 ' HB ' ' O ' ' A' ' 448' ' ' TYR . 1.1 m -117.01 114.16 23.39 Favored 'General case' 0 N--CA 1.417 -2.099 0 C-N-CA 118.803 -1.159 . . . . 15.0 109.666 -175.331 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -89.8 131.52 35.7 Favored 'General case' 0 C--N 1.309 -1.156 0 C-N-CA 119.699 -0.801 . . . . 15.0 110.793 -175.622 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 438' ' ' TYR . . . . . 0.467 ' O ' ' HA ' ' A' ' 445' ' ' THR . 50.7 m-85 -119.43 150.03 40.89 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.249 -0.887 . . . . 15.0 110.051 177.434 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 1.034 ' HE2' ' HA2' ' A' ' 443' ' ' GLY . 41.4 tttm -132.21 127.54 36.02 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-N 115.304 -0.862 . . . . 15.0 109.352 176.018 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 440' ' ' THR . . . . . 0.651 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 7.8 p -89.59 144.46 26.0 Favored 'General case' 0 N--CA 1.431 -1.385 0 N-CA-C 104.359 -2.46 . . . . 15.0 104.359 168.564 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -66.41 -1.3 3.35 Favored 'General case' 0 C--N 1.306 -1.285 0 N-CA-C 113.364 0.876 . . . . 15.0 113.364 -163.658 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 442' ' ' ASP . . . . . 0.461 ' OD2' ' HG3' ' A' ' 444' ' ' LYS . 7.8 p-10 -81.76 -0.62 43.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.799 0.809 . . . . 15.0 108.903 169.566 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 443' ' ' GLY . . . . . 1.034 ' HA2' ' HE2' ' A' ' 439' ' ' LYS . . . 90.59 26.04 23.91 Favored Glycine 0 CA--C 1.502 -0.726 0 CA-C-N 114.398 -1.274 . . . . 15.0 112.857 172.534 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.69 ' HD2' ' HZ3' ' A' ' 457' ' ' TRP . 30.3 mtmm -83.37 108.91 16.87 Favored 'General case' 0 CA--C 1.5 -0.966 0 C-N-CA 120.854 -0.338 . . . . 15.0 110.564 173.716 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 445' ' ' THR . . . . . 0.467 ' HA ' ' O ' ' A' ' 438' ' ' TYR . 7.4 m -100.12 89.35 3.99 Favored 'General case' 0 C--N 1.311 -1.084 0 N-CA-C 109.072 -0.714 . . . . 15.0 109.072 177.543 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 446' ' ' TYR . . . . . 0.528 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 6.5 p90 -102.28 143.21 32.35 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 114.927 -1.033 . . . . 15.0 110.446 174.692 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -99.16 114.78 27.72 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.63 0.729 . . . . 15.0 112.008 -174.109 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 448' ' ' TYR . . . . . 0.886 ' HA ' ' O ' ' A' ' 454' ' ' TYR . 60.6 t80 -107.43 107.57 18.51 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 114.636 -1.165 . . . . 15.0 108.657 171.64 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 1.044 ' HB3' ' CD1' ' A' ' 454' ' ' TYR . 1.3 t-20 -89.66 148.51 23.27 Favored 'General case' 0 CA--C 1.493 -1.215 0 O-C-N 122.19 -0.319 . . . . 15.0 110.469 -175.375 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -110.59 -0.44 17.27 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 113.244 0.831 . . . . 15.0 113.244 -159.679 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 451' ' ' ARG . . . . . 0.714 ' HG2' ' HB2' ' A' ' 434' ' ' GLU . 3.4 ptm180 -104.18 -27.33 12.12 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.469 -0.492 . . . . 15.0 110.608 173.576 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 452' ' ' THR . . . . . 0.774 ' HB ' ' CE1' ' A' ' 454' ' ' TYR . 3.6 m -123.41 -7.47 8.13 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.912 -0.586 . . . . 15.0 110.027 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 453' ' ' LEU . . . . . 0.958 ' HA ' ' O ' ' A' ' 449' ' ' ASN 0.251 0.3 OUTLIER 50.61 94.3 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 122.809 1.29 . . . . 15.0 113.877 178.008 . . . . . . . . 4 4 . 1 . 010 nuclear build core ' A' A ' 454' ' ' TYR . . . . . 1.044 ' CD1' ' HB3' ' A' ' 449' ' ' ASN . 27.5 m-85 -116.26 147.96 40.97 Favored 'General case' 0 CA--C 1.507 -0.708 0 CA-C-N 112.943 -1.935 . . . . 15.0 108.788 -179.282 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 20.2 p -117.51 89.9 3.22 Favored 'General case' 0 C--N 1.314 -0.977 0 N-CA-C 108.508 -0.923 . . . . 15.0 108.508 160.153 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 4.0 m -115.25 110.13 18.98 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 114.57 -1.196 . . . . 15.0 110.586 -171.223 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.69 ' HZ3' ' HD2' ' A' ' 444' ' ' LYS . 86.2 m95 -77.31 -0.12 24.32 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.184 -0.462 . . . . 15.0 111.831 -178.25 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -121.09 151.72 39.52 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 116.257 -0.429 . . . . 15.0 110.078 -179.194 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 18.6 ttmm -76.31 118.35 70.76 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 116.467 -0.333 . . . . 15.0 110.397 -178.438 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo . . . . . 0 C--O 1.234 0.303 0 C-N-CA 122.985 2.456 . . . . 15.0 112.251 179.478 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 434' ' ' GLU . . . . . 0.444 ' HB3' ' NH1' ' A' ' 451' ' ' ARG . 1.5 pm0 . . . . . 0 CA--C 1.51 -0.568 0 CA-C-O 121.185 0.516 . . . . 15.0 111.107 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.432 ' CZ3' ' HG3' ' A' ' 460' ' ' PRO . 42.5 m95 -89.63 145.75 25.03 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 115.554 -0.748 . . . . 15.0 110.126 -174.343 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.703 ' HB ' ' O ' ' A' ' 448' ' ' TYR . 1.1 m -125.65 145.42 50.17 Favored 'General case' 0 N--CA 1.411 -2.414 0 N-CA-C 108.837 -0.801 . . . . 15.0 108.837 179.48 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -111.76 128.67 56.17 Favored 'General case' 0 C--N 1.306 -1.302 0 C-N-CA 119.718 -0.793 . . . . 15.0 110.273 169.089 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -116.31 149.93 38.48 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 115.917 -0.583 . . . . 15.0 110.148 178.148 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 0.626 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 0.1 OUTLIER -122.38 143.38 49.69 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 115.52 -0.763 . . . . 15.0 111.514 178.88 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 440' ' ' THR . . . . . 0.623 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 19.6 p -89.77 150.9 22.07 Favored 'General case' 0 C--N 1.31 -1.145 0 N-CA-C 107.072 -1.455 . . . . 15.0 107.072 166.311 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -46.66 -27.47 1.18 Allowed 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 112.771 0.656 . . . . 15.0 112.771 -176.769 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 442' ' ' ASP . . . . . 0.584 ' OD2' ' HG3' ' A' ' 444' ' ' LYS . 6.0 p-10 -79.73 -3.26 46.69 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-O 120.867 0.365 . . . . 15.0 111.889 178.826 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.45 30.04 12.91 Favored Glycine 0 CA--C 1.501 -0.791 0 CA-C-N 116.151 -0.477 . . . . 15.0 112.798 170.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.671 ' HD2' ' CZ3' ' A' ' 457' ' ' TRP . 29.8 mtmm -78.58 109.88 13.19 Favored 'General case' 0 CA--C 1.502 -0.873 0 C-N-CA 120.926 -0.31 . . . . 15.0 110.416 171.757 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 445' ' ' THR . . . . . 0.523 HG23 ' HD2' ' A' ' 439' ' ' LYS . 23.3 m -94.4 89.43 5.87 Favored 'General case' 0 N--CA 1.436 -1.144 0 N-CA-C 109.231 -0.655 . . . . 15.0 109.231 177.572 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 446' ' ' TYR . . . . . 0.582 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 10.5 p90 -103.01 148.13 26.08 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.684 -0.689 . . . . 15.0 110.28 173.288 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 447' ' ' TYR . . . . . 0.469 ' CD2' ' HD3' ' A' ' 460' ' ' PRO . 64.0 m-85 -96.9 113.23 24.76 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.926 0.87 . . . . 15.0 112.02 -173.456 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 448' ' ' TYR . . . . . 0.861 ' HA ' ' O ' ' A' ' 454' ' ' TYR . 45.9 t80 -112.68 111.15 21.75 Favored 'General case' 0 C--O 1.213 -0.843 0 CA-C-N 114.016 -1.447 . . . . 15.0 108.563 174.818 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 1.035 ' HB3' ' CD1' ' A' ' 454' ' ' TYR . 1.5 t-20 -89.81 146.91 24.11 Favored 'General case' 0 CA--C 1.491 -1.304 0 O-C-N 121.814 -0.554 . . . . 15.0 110.784 -176.916 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -111.46 1.68 17.09 Favored 'General case' 0 N--CA 1.443 -0.818 0 CA-C-N 115.372 -0.831 . . . . 15.0 112.312 -161.561 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 451' ' ' ARG . . . . . 0.444 ' NH1' ' HB3' ' A' ' 434' ' ' GLU . 36.3 ttp180 -93.88 -37.44 11.72 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.943 0.877 . . . . 15.0 109.78 171.667 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 452' ' ' THR . . . . . 0.425 ' O ' ' HG ' ' A' ' 453' ' ' LEU . 0.1 OUTLIER -127.88 -3.28 5.86 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 114.784 -1.098 . . . . 15.0 110.724 -172.347 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 453' ' ' LEU . . . . . 0.943 ' HA ' ' O ' ' A' ' 449' ' ' ASN . 0.2 OUTLIER 51.01 93.34 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 122.852 1.311 . . . . 15.0 113.895 176.463 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 454' ' ' TYR . . . . . 1.035 ' CD1' ' HB3' ' A' ' 449' ' ' ASN . 28.5 m-85 -115.81 148.25 40.1 Favored 'General case' 0 CA--C 1.511 -0.554 0 CA-C-N 112.775 -2.011 . . . . 15.0 108.555 -179.682 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 2.4 p -124.03 97.68 5.45 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-O 121.273 0.558 . . . . 15.0 109.915 166.231 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 5.0 t -127.77 123.65 35.81 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 115.773 -0.649 . . . . 15.0 110.78 -178.878 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.671 ' CZ3' ' HD2' ' A' ' 444' ' ' LYS . 71.5 m95 -76.97 -5.4 48.47 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.652 -0.704 . . . . 15.0 110.842 175.777 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -112.26 143.01 44.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.719 0.295 . . . . 15.0 110.369 -179.299 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 459' ' ' LYS . . . . . 0.504 ' HA ' ' HD3' ' A' ' 460' ' ' PRO . 38.0 ttmt -60.43 133.4 91.02 Favored Pre-proline 0 CA--C 1.534 0.347 0 CA-C-N 115.633 -0.712 . . . . 15.0 112.194 -173.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 460' ' ' PRO . . . . . 0.504 ' HD3' ' HA ' ' A' ' 459' ' ' LYS . 19.9 Cg_exo . . . . . 0 C--N 1.346 0.413 0 C-N-CA 123.56 2.84 . . . . 15.0 112.266 178.016 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 434' ' ' GLU . . . . . 0.954 ' HB2' ' HG2' ' A' ' 451' ' ' ARG . 10.8 pt-20 . . . . . 0 CA--C 1.515 -0.391 0 CA-C-O 120.535 0.207 . . . . 15.0 111.468 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.531 ' CD1' ' HG3' ' A' ' 434' ' ' GLU . 52.2 m95 -89.61 148.92 23.07 Favored 'General case' 0 CA--C 1.506 -0.719 0 CA-C-O 120.811 0.339 . . . . 15.0 110.182 -172.054 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.573 ' HB ' ' O ' ' A' ' 448' ' ' TYR . 1.1 m -135.42 149.93 49.74 Favored 'General case' 0 N--CA 1.417 -2.12 0 C-N-CA 120.143 -0.623 . . . . 15.0 109.615 177.246 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 437' ' ' GLU . . . . . 0.531 ' HB3' ' CD1' ' A' ' 447' ' ' TYR . 0.1 OUTLIER -119.5 136.15 54.46 Favored 'General case' 0 C--N 1.308 -1.202 0 CA-C-O 121.288 0.566 . . . . 15.0 111.178 171.867 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 36.2 m-85 -128.09 150.03 50.14 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.688 -0.687 . . . . 15.0 109.981 178.569 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 0.635 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 3.8 mppt? -111.64 146.85 36.72 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.679 0.752 . . . . 15.0 111.635 175.878 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 440' ' ' THR . . . . . 0.709 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 0.8 OUTLIER -101.66 150.21 23.34 Favored 'General case' 0 C--N 1.306 -1.305 0 CA-C-N 114.012 -1.449 . . . . 15.0 107.682 165.867 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -35.79 -40.62 0.19 Allowed 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 115.549 1.685 . . . . 15.0 115.549 -167.331 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -78.92 4.36 14.4 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 118.431 0.56 . . . . 15.0 111.752 -175.754 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.48 29.68 13.59 Favored Glycine 0 N--CA 1.448 -0.558 0 CA-C-N 116.048 -0.523 . . . . 15.0 112.381 174.455 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.709 ' HB2' ' OG1' ' A' ' 440' ' ' THR . 61.1 mttp -78.61 110.47 13.76 Favored 'General case' 0 CA--C 1.505 -0.785 0 CA-C-N 115.75 -0.225 . . . . 15.0 110.469 173.427 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 17.3 m -97.27 89.43 4.75 Favored 'General case' 0 N--CA 1.436 -1.126 0 C-N-CA 119.832 -0.747 . . . . 15.0 109.686 176.709 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 446' ' ' TYR . . . . . 0.516 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 26.2 p90 -95.24 142.04 28.12 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.444 -0.798 . . . . 15.0 109.819 170.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 447' ' ' TYR . . . . . 0.531 ' CD1' ' HB3' ' A' ' 437' ' ' GLU . 97.5 m-85 -92.47 106.0 18.07 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-O 121.815 0.817 . . . . 15.0 111.682 -174.334 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 448' ' ' TYR . . . . . 0.874 ' HA ' ' O ' ' A' ' 454' ' ' TYR . 50.1 t80 -98.34 111.5 23.82 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-N 114.361 -1.29 . . . . 15.0 109.118 173.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.999 ' HB3' ' CD1' ' A' ' 454' ' ' TYR . 1.4 t-20 -89.84 147.41 23.79 Favored 'General case' 0 CA--C 1.494 -1.197 0 O-C-N 121.657 -0.652 . . . . 15.0 110.686 -178.763 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -113.35 3.75 16.04 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-N 115.538 -0.756 . . . . 15.0 112.89 -159.764 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 451' ' ' ARG . . . . . 0.954 ' HG2' ' HB2' ' A' ' 434' ' ' GLU . 0.9 OUTLIER -98.16 -28.76 13.58 Favored 'General case' 0 CA--C 1.519 -0.246 0 C-N-CA 120.381 -0.528 . . . . 15.0 109.834 171.407 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 452' ' ' THR . . . . . 0.667 ' HB ' ' CE1' ' A' ' 454' ' ' TYR . 27.1 m -132.54 -8.84 3.24 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.282 -0.872 . . . . 15.0 110.467 -173.276 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 453' ' ' LEU . . . . . 0.893 ' HA ' ' O ' ' A' ' 449' ' ' ASN 0.271 1.8 pp 57.26 96.3 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 123.185 1.469 . . . . 15.0 113.971 175.33 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 454' ' ' TYR . . . . . 0.999 ' CD1' ' HB3' ' A' ' 449' ' ' ASN . 29.8 m-85 -120.39 145.58 47.03 Favored 'General case' 0 CA--C 1.509 -0.601 0 CA-C-N 112.651 -2.068 . . . . 15.0 109.091 -177.566 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 4.1 p -119.62 98.61 6.2 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 121.132 0.491 . . . . 15.0 109.931 165.771 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 2.7 t -123.57 124.31 42.53 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.371 0.605 . . . . 15.0 110.722 179.555 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.516 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 83.7 m95 -80.16 -0.2 35.0 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.384 -0.825 . . . . 15.0 111.229 179.359 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -117.39 144.63 44.76 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.523 -0.547 . . . . 15.0 109.523 179.522 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -75.85 122.52 87.17 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 116.194 -0.457 . . . . 15.0 110.512 -178.35 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo . . . . . 0 C--O 1.234 0.293 0 C-N-CA 122.876 2.384 . . . . 15.0 112.225 -178.764 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 434' ' ' GLU . . . . . 0.538 ' HB2' ' HB3' ' A' ' 451' ' ' ARG . 8.3 pt-20 . . . . . 0 CA--C 1.513 -0.466 0 CA-C-O 121.125 0.488 . . . . 15.0 110.287 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.481 ' CD1' ' HG3' ' A' ' 434' ' ' GLU . 43.2 m95 -89.9 141.7 28.39 Favored 'General case' 0 CA--C 1.504 -0.792 0 CA-C-N 115.553 -0.748 . . . . 15.0 109.837 -174.299 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.685 ' HB ' ' O ' ' A' ' 448' ' ' TYR . 1.1 m -126.97 142.53 51.53 Favored 'General case' 0 N--CA 1.417 -2.083 0 C-N-CA 119.662 -0.815 . . . . 15.0 109.351 -178.337 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -113.62 129.81 56.5 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-O 121.603 0.716 . . . . 15.0 111.031 173.84 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -123.84 150.16 44.9 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.358 -0.837 . . . . 15.0 110.167 178.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 0.586 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 3.3 mppt? -122.77 148.02 45.83 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-O 121.882 0.849 . . . . 15.0 111.458 172.899 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 440' ' ' THR . . . . . 0.578 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 17.7 p -94.94 150.48 20.12 Favored 'General case' 0 C--N 1.306 -1.324 0 CA-C-N 113.845 -1.525 . . . . 15.0 107.323 166.901 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -38.54 -33.96 0.12 Allowed 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 114.223 1.194 . . . . 15.0 114.223 -176.281 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 442' ' ' ASP . . . . . 0.423 ' OD2' ' HG3' ' A' ' 444' ' ' LYS . 8.0 p-10 -78.24 -3.85 44.87 Favored 'General case' 0 N--CA 1.469 0.524 0 O-C-N 122.122 -0.361 . . . . 15.0 111.649 -178.167 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.38 29.9 13.34 Favored Glycine 0 CA--C 1.505 -0.582 0 CA-C-N 116.362 -0.381 . . . . 15.0 112.743 174.008 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.586 ' O ' ' HA ' ' A' ' 439' ' ' LYS . 37.0 mttm -72.5 110.57 6.98 Favored 'General case' 0 CA--C 1.504 -0.815 0 N-CA-C 109.936 -0.394 . . . . 15.0 109.936 171.383 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 18.2 m -93.78 89.21 6.07 Favored 'General case' 0 N--CA 1.434 -1.244 0 C-N-CA 119.088 -1.045 . . . . 15.0 109.017 175.458 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 446' ' ' TYR . . . . . 0.579 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 4.4 p90 -102.56 141.45 35.36 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.73 -0.668 . . . . 15.0 110.102 171.434 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 68.4 m-85 -96.36 109.81 22.26 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-O 121.63 0.728 . . . . 15.0 111.173 -175.67 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 448' ' ' TYR . . . . . 0.831 ' HA ' ' O ' ' A' ' 454' ' ' TYR . 56.2 t80 -104.95 112.57 25.75 Favored 'General case' 0 C--O 1.21 -1.019 0 CA-C-N 114.451 -1.249 . . . . 15.0 108.633 174.776 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 1.045 ' HB3' ' HD1' ' A' ' 454' ' ' TYR . 1.0 OUTLIER -89.57 147.24 24.05 Favored 'General case' 0 CA--C 1.496 -1.128 0 O-C-N 121.804 -0.56 . . . . 15.0 110.455 -178.855 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -110.13 -4.11 15.99 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.522 -0.763 . . . . 15.0 111.61 -163.316 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 451' ' ' ARG . . . . . 0.538 ' HB3' ' HB2' ' A' ' 434' ' ' GLU . 61.0 ttt180 -88.49 -46.99 8.66 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.557 -0.747 . . . . 15.0 109.829 174.753 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -119.54 -1.75 10.62 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 114.856 -1.065 . . . . 15.0 110.824 -175.433 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 453' ' ' LEU . . . . . 0.968 ' HA ' ' O ' ' A' ' 449' ' ' ASN . 0.3 OUTLIER 49.27 98.92 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 122.846 1.308 . . . . 15.0 114.327 179.485 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 454' ' ' TYR . . . . . 1.045 ' HD1' ' HB3' ' A' ' 449' ' ' ASN . 55.4 m-85 -121.12 149.38 42.85 Favored 'General case' 0 CA--C 1.51 -0.561 0 CA-C-N 113.11 -1.859 . . . . 15.0 109.112 -179.246 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 11.2 p -122.58 95.09 4.5 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-O 121.412 0.625 . . . . 15.0 109.635 164.662 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 4.6 t -121.84 121.34 36.95 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 115.575 -0.739 . . . . 15.0 110.775 -178.334 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.579 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 60.8 m95 -81.35 -4.95 57.23 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.506 -0.77 . . . . 15.0 109.857 177.01 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -103.21 142.84 33.47 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.608 -0.723 . . . . 15.0 109.85 179.143 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 44.0 tttp -80.72 120.67 79.72 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 116.109 -0.496 . . . . 15.0 110.746 -177.219 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo . . . . . 0 C--O 1.237 0.427 0 C-N-CA 122.615 2.21 . . . . 15.0 111.809 178.506 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 434' ' ' GLU . . . . . 0.544 ' HG3' ' CD1' ' A' ' 435' ' ' TRP . 10.0 pt-20 . . . . . 0 CA--C 1.515 -0.402 0 N-CA-C 112.161 0.43 . . . . 15.0 112.161 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.544 ' CD1' ' HG3' ' A' ' 434' ' ' GLU . 56.8 m95 -89.68 143.38 26.85 Favored 'General case' 0 C--N 1.311 -1.089 0 CA-C-N 116.145 -0.48 . . . . 15.0 110.505 -171.822 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.67 ' HB ' ' O ' ' A' ' 448' ' ' TYR . 1.1 m -122.56 143.81 49.5 Favored 'General case' 0 N--CA 1.413 -2.28 0 N-CA-C 109.004 -0.739 . . . . 15.0 109.004 179.191 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -112.48 132.25 55.17 Favored 'General case' 0 C--N 1.308 -1.204 0 CA-C-O 121.635 0.731 . . . . 15.0 110.971 174.866 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -128.32 150.37 50.1 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.281 -0.872 . . . . 15.0 110.359 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 0.588 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 0.0 OUTLIER -121.93 146.27 47.29 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-O 121.87 0.843 . . . . 15.0 112.181 176.775 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 440' ' ' THR . . . . . 0.639 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 16.1 p -90.37 150.83 21.71 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-N 114.081 -1.418 . . . . 15.0 107.926 164.639 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -45.14 -25.67 0.38 Allowed 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 113.538 0.94 . . . . 15.0 113.538 -178.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 442' ' ' ASP . . . . . 0.525 ' OD2' ' HG3' ' A' ' 444' ' ' LYS . 6.3 p-10 -83.83 -3.16 57.66 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-O 120.921 0.391 . . . . 15.0 111.576 179.652 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.66 30.01 12.54 Favored Glycine 0 CA--C 1.504 -0.654 0 CA-C-N 116.108 -0.496 . . . . 15.0 112.92 172.485 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.639 ' HB2' ' OG1' ' A' ' 440' ' ' THR . 57.6 mttp -77.42 107.12 9.62 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.971 -0.381 . . . . 15.0 109.971 170.915 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 23.8 m -92.03 89.25 6.89 Favored 'General case' 0 N--CA 1.439 -1.009 0 C-N-CA 119.479 -0.888 . . . . 15.0 109.116 174.583 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 446' ' ' TYR . . . . . 0.529 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 21.7 p90 -99.8 146.0 27.08 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.465 -0.789 . . . . 15.0 109.776 172.131 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 -96.31 105.08 17.09 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.821 0.819 . . . . 15.0 111.715 -176.186 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 448' ' ' TYR . . . . . 0.891 ' HA ' ' O ' ' A' ' 454' ' ' TYR . 50.5 t80 -96.73 108.18 20.78 Favored 'General case' 0 N--CA 1.44 -0.93 0 CA-C-N 114.203 -1.362 . . . . 15.0 109.015 173.801 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 1.009 ' HB3' ' CD1' ' A' ' 454' ' ' TYR . 2.8 t-20 -90.01 146.57 24.26 Favored 'General case' 0 CA--C 1.491 -1.308 0 O-C-N 121.955 -0.466 . . . . 15.0 110.48 -177.843 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -110.65 4.94 20.59 Favored 'General case' 0 N--CA 1.445 -0.725 0 O-C-N 124.085 0.866 . . . . 15.0 113.208 -156.557 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 451' ' ' ARG . . . . . 0.445 ' HD3' ' OE1' ' A' ' 434' ' ' GLU . 2.3 ptm180 -104.8 -24.29 12.92 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.196 0.522 . . . . 15.0 110.276 171.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 452' ' ' THR . . . . . 0.769 ' HB ' ' CE1' ' A' ' 454' ' ' TYR . 11.8 m -129.2 -14.16 4.36 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.666 -0.697 . . . . 15.0 110.41 -176.395 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 453' ' ' LEU . . . . . 0.869 ' HA ' ' O ' ' A' ' 449' ' ' ASN 0.303 2.8 pp 58.49 88.59 0.06 Allowed 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 123.465 1.602 . . . . 15.0 113.319 177.576 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 454' ' ' TYR . . . . . 1.009 ' CD1' ' HB3' ' A' ' 449' ' ' ASN . 27.9 m-85 -109.8 142.7 40.69 Favored 'General case' 0 CA--C 1.511 -0.545 0 CA-C-N 112.139 -2.3 . . . . 15.0 109.085 -179.133 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 5.1 p -117.59 97.89 6.11 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.76 -0.459 . . . . 15.0 109.76 165.487 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 5.1 t -125.65 125.14 42.62 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.433 0.635 . . . . 15.0 110.849 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.549 ' CZ3' ' HD3' ' A' ' 444' ' ' LYS . 30.1 m95 -81.01 -2.84 49.6 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.278 -0.874 . . . . 15.0 110.718 177.449 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -112.75 140.22 47.72 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 108.788 -0.819 . . . . 15.0 108.788 176.323 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -68.56 125.6 91.89 Favored Pre-proline 0 C--N 1.324 -0.538 0 N-CA-C 110.049 -0.352 . . . . 15.0 110.049 -179.061 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 460' ' ' PRO . . . . . 0.416 ' HG3' ' CE3' ' A' ' 435' ' ' TRP . 11.0 Cg_endo . . . . . 0 C--O 1.234 0.288 0 C-N-CA 123.028 2.485 . . . . 15.0 112.43 177.725 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 434' ' ' GLU . . . . . 0.489 ' OE1' ' HD3' ' A' ' 451' ' ' ARG . 11.5 pt-20 . . . . . 0 CA--C 1.515 -0.377 0 CA-C-O 121.088 0.47 . . . . 15.0 110.911 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.59 ' HA ' ' HB2' ' A' ' 449' ' ' ASN . 52.3 m95 -89.67 138.02 31.83 Favored 'General case' 0 CA--C 1.502 -0.877 0 N-CA-C 108.744 -0.836 . . . . 15.0 108.744 -176.615 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.621 ' HB ' ' O ' ' A' ' 448' ' ' TYR . 1.1 m -121.12 113.79 20.52 Favored 'General case' 0 N--CA 1.417 -2.078 0 C-N-CA 118.897 -1.121 . . . . 15.0 110.198 -174.532 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.98 128.98 36.36 Favored 'General case' 0 C--N 1.312 -1.064 0 C-N-CA 118.876 -1.129 . . . . 15.0 111.275 -176.609 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -118.95 150.18 40.36 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.176 -0.92 . . . . 15.0 110.137 179.394 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 0.61 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 2.4 mppt? -121.91 147.83 45.52 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.734 0.778 . . . . 15.0 111.489 176.51 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 440' ' ' THR . . . . . 0.471 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 81.2 p -90.03 150.91 21.9 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-N 114.149 -1.387 . . . . 15.0 107.661 167.384 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -46.94 -24.27 0.58 Allowed 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 112.85 0.685 . . . . 15.0 112.85 177.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 442' ' ' ASP . . . . . 0.42 ' OD2' ' HG3' ' A' ' 444' ' ' LYS . 6.5 p-10 -89.9 -0.56 57.64 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-O 121.062 0.458 . . . . 15.0 111.443 178.068 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.88 29.85 12.35 Favored Glycine 0 CA--C 1.504 -0.618 0 CA-C-N 116.09 -0.504 . . . . 15.0 112.937 170.26 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.61 ' O ' ' HA ' ' A' ' 439' ' ' LYS . 59.7 mttp -73.93 107.95 6.46 Favored 'General case' 0 CA--C 1.503 -0.854 0 N-CA-C 109.68 -0.489 . . . . 15.0 109.68 169.58 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 23.5 m -93.77 89.35 6.13 Favored 'General case' 0 N--CA 1.437 -1.118 0 C-N-CA 119.479 -0.888 . . . . 15.0 109.033 175.091 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 446' ' ' TYR . . . . . 0.589 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 7.2 p90 -102.85 145.52 29.67 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.237 -0.892 . . . . 15.0 110.066 172.497 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -98.57 117.79 33.8 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.473 0.654 . . . . 15.0 111.929 -174.255 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 448' ' ' TYR . . . . . 0.902 ' HA ' ' O ' ' A' ' 454' ' ' TYR . 54.7 t80 -115.16 106.51 14.16 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.663 -1.153 . . . . 15.0 109.261 174.655 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 1.025 ' HB3' ' CD1' ' A' ' 454' ' ' TYR . 1.5 t-20 -89.66 147.38 23.92 Favored 'General case' 0 CA--C 1.492 -1.275 0 O-C-N 122.298 -0.251 . . . . 15.0 110.535 -173.556 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -109.92 3.8 20.91 Favored 'General case' 0 N--CA 1.447 -0.6 0 N-CA-C 113.337 0.866 . . . . 15.0 113.337 -158.594 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 451' ' ' ARG . . . . . 0.489 ' HD3' ' OE1' ' A' ' 434' ' ' GLU . 8.0 ptm180 -103.45 -27.46 12.38 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.382 0.611 . . . . 15.0 110.265 172.164 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 452' ' ' THR . . . . . 0.787 ' HB ' ' CE1' ' A' ' 454' ' ' TYR . 13.3 m -127.58 -8.93 5.66 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.504 -0.771 . . . . 15.0 110.352 -176.809 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 453' ' ' LEU . . . . . 0.904 ' HA ' ' O ' ' A' ' 449' ' ' ASN 0.262 0.3 OUTLIER 53.6 89.16 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 122.92 1.343 . . . . 15.0 113.372 176.602 . . . . . . . . 4 4 . 1 . 015 nuclear build core ' A' A ' 454' ' ' TYR . . . . . 1.025 ' CD1' ' HB3' ' A' ' 449' ' ' ASN . 29.6 m-85 -110.5 147.07 34.86 Favored 'General case' 0 CA--C 1.508 -0.645 0 CA-C-N 112.436 -2.165 . . . . 15.0 108.769 -179.451 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 3.7 p -125.56 103.18 7.73 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 109.637 -0.505 . . . . 15.0 109.637 165.481 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 8.7 t -136.86 127.15 26.44 Favored 'General case' 0 N--CA 1.441 -0.89 0 CA-C-O 121.669 0.747 . . . . 15.0 111.557 -179.45 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.589 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 24.1 m95 -77.75 -0.37 26.73 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.962 -1.017 . . . . 15.0 110.355 173.169 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -104.0 124.84 49.75 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.227 -0.442 . . . . 15.0 110.029 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 459' ' ' LYS . . . . . 0.407 ' HA ' ' HD2' ' A' ' 460' ' ' PRO . 8.6 ttmm -63.31 116.93 29.05 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 115.896 -0.593 . . . . 15.0 110.505 179.546 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 460' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 459' ' ' LYS . 30.7 Cg_endo . . . . . 0 CA--C 1.528 0.224 0 C-N-CA 122.818 2.345 . . . . 15.0 112.132 178.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 434' ' ' GLU . . . . . 0.712 ' HB2' ' HG2' ' A' ' 451' ' ' ARG . 8.6 pt-20 . . . . . 0 CA--C 1.515 -0.387 0 CA-C-O 120.805 0.336 . . . . 15.0 111.729 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.46 ' CD1' ' HG3' ' A' ' 434' ' ' GLU . 34.0 m95 -89.81 133.31 34.79 Favored 'General case' 0 CA--C 1.5 -0.953 0 CA-C-N 116.096 -0.502 . . . . 15.0 109.705 -174.323 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.747 ' HB ' ' O ' ' A' ' 448' ' ' TYR . 1.1 m -114.17 138.09 50.9 Favored 'General case' 0 N--CA 1.413 -2.304 0 N-CA-C 108.525 -0.917 . . . . 15.0 108.525 -176.51 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -112.0 130.28 55.91 Favored 'General case' 0 C--N 1.305 -1.343 0 CA-C-O 121.748 0.785 . . . . 15.0 110.565 176.654 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -128.71 150.14 50.39 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 114.917 -1.038 . . . . 15.0 109.93 -177.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 0.527 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 8.6 mptt -113.94 144.51 42.95 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-O 122.159 0.98 . . . . 15.0 112.18 173.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 440' ' ' THR . . . . . 0.623 HG23 ' CE1' ' A' ' 446' ' ' TYR . 10.5 p -90.31 150.69 21.81 Favored 'General case' 0 C--N 1.306 -1.308 0 CA-C-N 113.543 -1.662 . . . . 15.0 107.864 169.08 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -51.42 -22.87 3.29 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.785 0.661 . . . . 15.0 112.785 -177.043 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -86.11 -0.32 55.35 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-O 120.767 0.318 . . . . 15.0 111.269 179.204 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.45 30.33 12.31 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 121.284 -0.484 . . . . 15.0 112.889 169.492 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.61 ' HB2' ' OG1' ' A' ' 440' ' ' THR . 45.0 mmtm -82.82 127.76 33.78 Favored 'General case' 0 CA--C 1.494 -1.187 0 N-CA-C 109.839 -0.43 . . . . 15.0 109.839 169.861 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 445' ' ' THR . . . . . 0.49 HG23 ' HE3' ' A' ' 439' ' ' LYS . 21.9 m -94.38 89.23 5.8 Favored 'General case' 0 N--CA 1.429 -1.52 0 C-N-CA 118.474 -1.29 . . . . 15.0 107.867 166.787 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 446' ' ' TYR . . . . . 0.623 ' CE1' HG23 ' A' ' 440' ' ' THR . 5.1 p90 -96.07 144.19 26.55 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.757 -0.656 . . . . 15.0 110.377 170.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -100.95 116.89 33.87 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-O 121.545 0.688 . . . . 15.0 111.39 -175.66 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 448' ' ' TYR . . . . . 0.852 ' HA ' ' O ' ' A' ' 454' ' ' TYR . 80.3 t80 -113.79 110.58 20.38 Favored 'General case' 0 C--O 1.211 -0.932 0 CA-C-N 114.609 -1.178 . . . . 15.0 109.05 174.746 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 1.097 ' HB3' ' HD1' ' A' ' 454' ' ' TYR . 2.5 t-20 -89.86 149.53 22.61 Favored 'General case' 0 CA--C 1.493 -1.245 0 O-C-N 121.811 -0.556 . . . . 15.0 110.165 -178.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -114.62 1.03 14.12 Favored 'General case' 0 N--CA 1.439 -0.994 0 CA-C-N 115.352 -0.84 . . . . 15.0 113.25 -157.603 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 451' ' ' ARG . . . . . 0.712 ' HG2' ' HB2' ' A' ' 434' ' ' GLU . 2.3 ptm180 -107.7 -28.54 9.65 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.371 -0.532 . . . . 15.0 110.704 173.535 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 452' ' ' THR . . . . . 0.642 ' HB ' ' CE1' ' A' ' 454' ' ' TYR . 4.7 m -122.83 -6.73 8.49 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.981 -0.554 . . . . 15.0 109.554 179.571 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 453' ' ' LEU . . . . . 0.972 ' HA ' ' O ' ' A' ' 449' ' ' ASN . 0.3 OUTLIER 50.62 102.45 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 122.844 1.307 . . . . 15.0 114.284 176.655 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 454' ' ' TYR . . . . . 1.097 ' HD1' ' HB3' ' A' ' 449' ' ' ASN . 26.2 m-85 -124.7 145.44 49.68 Favored 'General case' 0 C--O 1.22 -0.463 0 CA-C-N 112.821 -1.99 . . . . 15.0 108.411 -178.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 4.4 p -124.71 96.87 5.05 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-O 121.492 0.663 . . . . 15.0 110.072 167.872 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 4.2 t -128.86 120.24 25.88 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.707 -0.679 . . . . 15.0 111.309 -177.355 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.53 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 20.8 m95 -74.41 -9.47 58.62 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.768 -0.651 . . . . 15.0 110.142 174.671 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -101.42 133.04 46.66 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.502 -0.772 . . . . 15.0 110.032 -177.666 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 23.2 ttmm -67.69 121.08 77.85 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 116.044 -0.525 . . . . 15.0 111.125 -178.231 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 460' ' ' PRO . . . . . 0.411 ' HG3' ' CZ3' ' A' ' 435' ' ' TRP . 96.1 Cg_endo . . . . . 0 C--N 1.346 0.4 0 C-N-CA 123.216 2.611 . . . . 15.0 112.97 -178.194 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 434' ' ' GLU . . . . . 0.588 ' HB2' ' HG2' ' A' ' 451' ' ' ARG . 6.4 pt-20 . . . . . 0 CA--C 1.511 -0.522 0 CA-C-O 120.893 0.378 . . . . 15.0 110.704 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.514 ' HA ' ' HB2' ' A' ' 449' ' ' ASN . 43.4 m95 -89.51 141.45 28.56 Favored 'General case' 0 CA--C 1.501 -0.918 0 CA-C-N 115.785 -0.643 . . . . 15.0 109.476 -175.386 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.682 ' HB ' ' O ' ' A' ' 448' ' ' TYR . 1.1 m -124.99 142.42 51.5 Favored 'General case' 0 N--CA 1.414 -2.249 0 C-N-CA 119.643 -0.823 . . . . 15.0 109.108 -178.315 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -110.34 131.22 55.24 Favored 'General case' 0 C--N 1.308 -1.199 0 C-N-CA 119.62 -0.832 . . . . 15.0 110.437 172.693 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -127.48 150.28 49.73 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.498 -0.774 . . . . 15.0 110.267 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 0.55 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 0.0 OUTLIER -121.0 142.1 50.11 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-O 121.784 0.802 . . . . 15.0 111.532 175.813 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 440' ' ' THR . . . . . 0.695 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 6.0 p -90.17 150.89 21.82 Favored 'General case' 0 C--N 1.308 -1.228 0 CA-C-N 114.086 -1.415 . . . . 15.0 107.452 166.866 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -45.42 -24.9 0.35 Allowed 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 113.95 1.093 . . . . 15.0 113.95 -174.757 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 442' ' ' ASP . . . . . 0.458 ' OD2' ' HG3' ' A' ' 444' ' ' LYS . 8.0 p-10 -83.8 -2.51 56.51 Favored 'General case' 0 CA--C 1.534 0.336 0 O-C-N 121.938 -0.476 . . . . 15.0 111.303 179.829 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.28 29.77 13.86 Favored Glycine 0 CA--C 1.505 -0.566 0 CA-C-N 116.074 -0.512 . . . . 15.0 112.597 172.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.695 ' HB2' ' OG1' ' A' ' 440' ' ' THR . 95.0 mttt -76.86 106.53 8.59 Favored 'General case' 0 CA--C 1.503 -0.84 0 N-CA-C 110.054 -0.35 . . . . 15.0 110.054 172.096 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 17.9 m -90.68 89.23 7.43 Favored 'General case' 0 N--CA 1.434 -1.243 0 C-N-CA 119.6 -0.84 . . . . 15.0 109.055 175.05 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 446' ' ' TYR . . . . . 0.561 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 24.7 p90 -104.06 150.02 24.67 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 115.419 -0.81 . . . . 15.0 109.84 172.356 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -101.71 104.77 15.6 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-O 121.804 0.811 . . . . 15.0 111.637 -173.267 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 448' ' ' TYR . . . . . 0.856 ' HA ' ' O ' ' A' ' 454' ' ' TYR . 53.6 t80 -101.07 111.13 23.26 Favored 'General case' 0 C--O 1.215 -0.756 0 CA-C-N 114.245 -1.343 . . . . 15.0 108.966 175.832 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 1.055 ' HB3' ' HD1' ' A' ' 454' ' ' TYR . 1.3 t-20 -89.6 148.09 23.55 Favored 'General case' 0 CA--C 1.49 -1.341 0 O-C-N 122.108 -0.37 . . . . 15.0 110.599 -177.775 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -112.23 4.44 17.8 Favored 'General case' 0 N--CA 1.447 -0.6 0 O-C-N 123.92 0.762 . . . . 15.0 113.018 -158.66 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 451' ' ' ARG . . . . . 0.588 ' HG2' ' HB2' ' A' ' 434' ' ' GLU . 3.5 ptt180 -100.01 -32.55 10.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.354 0.597 . . . . 15.0 109.621 171.149 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 452' ' ' THR . . . . . 0.73 ' HB ' ' CE1' ' A' ' 454' ' ' TYR . 10.6 m -123.53 -11.46 7.82 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.218 -0.901 . . . . 15.0 110.38 -174.83 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 453' ' ' LEU . . . . . 0.935 ' HA ' ' O ' ' A' ' 449' ' ' ASN . 0.4 OUTLIER 54.38 86.63 0.05 OUTLIER 'General case' 0 CA--C 1.518 -0.257 0 CA-C-O 122.865 1.317 . . . . 15.0 113.085 179.764 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 454' ' ' TYR . . . . . 1.055 ' HD1' ' HB3' ' A' ' 449' ' ' ASN . 39.5 m-85 -104.73 142.74 34.16 Favored 'General case' 0 CA--C 1.505 -0.779 0 CA-C-N 112.813 -1.994 . . . . 15.0 108.842 179.046 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 3.5 p -118.98 96.86 5.42 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-O 121.123 0.487 . . . . 15.0 109.704 169.333 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 3.4 t -128.42 122.07 30.49 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.464 0.65 . . . . 15.0 110.554 178.743 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.615 ' CZ3' ' HD3' ' A' ' 444' ' ' LYS . 76.1 m95 -79.94 -5.63 55.99 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.214 -0.903 . . . . 15.0 111.208 -178.577 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -117.12 141.57 48.1 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.856 -0.424 . . . . 15.0 109.856 179.279 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -65.78 123.04 83.72 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 115.65 -0.705 . . . . 15.0 111.299 -174.332 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo . . . . . 0 C--N 1.342 0.23 0 C-N-CA 123.17 2.58 . . . . 15.0 112.596 -178.032 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 434' ' ' GLU . . . . . 0.416 ' HB2' ' HG2' ' A' ' 451' ' ' ARG . 7.9 pt-20 . . . . . 0 CA--C 1.51 -0.591 0 CA-C-O 121.179 0.514 . . . . 15.0 111.246 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.496 ' HA ' ' HB2' ' A' ' 449' ' ' ASN . 29.1 m95 -89.62 135.68 33.47 Favored 'General case' 0 N--CA 1.438 -1.068 0 CA-C-N 115.613 -0.721 . . . . 15.0 109.521 -174.656 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.752 ' HB ' ' O ' ' A' ' 448' ' ' TYR . 1.1 m -115.57 145.5 42.6 Favored 'General case' 0 N--CA 1.415 -2.207 0 N-CA-C 108.238 -1.023 . . . . 15.0 108.238 -173.116 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -115.16 150.82 35.45 Favored 'General case' 0 C--N 1.302 -1.5 0 C-N-CA 119.15 -1.02 . . . . 15.0 113.236 173.227 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -149.57 149.99 31.56 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-N 113.65 -1.614 . . . . 15.0 109.35 -173.454 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 0.533 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 0.0 OUTLIER -117.17 144.76 44.39 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-O 121.917 0.865 . . . . 15.0 111.727 175.013 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 440' ' ' THR . . . . . 0.624 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 1.3 p -99.31 150.33 22.23 Favored 'General case' 0 C--N 1.304 -1.391 0 CA-C-N 113.901 -1.499 . . . . 15.0 108.019 168.239 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -60.48 -7.99 2.47 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 113.104 0.779 . . . . 15.0 113.104 -171.877 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -88.72 -2.02 58.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.073 0.463 . . . . 15.0 110.272 176.415 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.45 29.88 13.25 Favored Glycine 0 N--CA 1.449 -0.498 0 CA-C-N 115.895 -0.593 . . . . 15.0 112.665 173.05 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.738 ' HE2' ' HA ' ' A' ' 444' ' ' LYS . 9.7 mmpt? -85.39 130.4 34.6 Favored 'General case' 0 CA--C 1.497 -1.067 0 N-CA-C 110.103 -0.332 . . . . 15.0 110.103 169.545 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 58.8 m -102.5 89.14 3.44 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 107.563 -1.273 . . . . 15.0 107.563 163.639 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 446' ' ' TYR . . . . . 0.494 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 13.7 p90 -94.72 148.17 22.55 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.391 -0.822 . . . . 15.0 110.361 175.075 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -99.71 116.15 31.14 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.469 0.652 . . . . 15.0 110.908 -175.188 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 448' ' ' TYR . . . . . 0.893 ' HA ' ' O ' ' A' ' 454' ' ' TYR . 49.8 t80 -117.51 110.99 18.65 Favored 'General case' 0 C--O 1.206 -1.197 0 CA-C-N 114.674 -1.148 . . . . 15.0 108.879 178.342 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 1.032 ' HB3' ' CD1' ' A' ' 454' ' ' TYR . 2.5 t-20 -89.71 147.97 23.55 Favored 'General case' 0 C--O 1.206 -1.228 0 O-C-N 121.966 -0.459 . . . . 15.0 110.878 -176.191 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -107.63 -5.68 17.34 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 113.505 0.928 . . . . 15.0 113.505 -158.758 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 451' ' ' ARG . . . . . 0.416 ' HG2' ' HB2' ' A' ' 434' ' ' GLU . 7.8 ptm180 -99.13 -20.78 16.48 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.092 -0.643 . . . . 15.0 110.613 176.252 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 452' ' ' THR . . . . . 0.764 ' HB ' ' CE1' ' A' ' 454' ' ' TYR . 4.4 m -132.36 -10.9 3.24 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.604 -0.725 . . . . 15.0 110.258 -178.185 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 453' ' ' LEU . . . . . 0.897 ' HA ' ' O ' ' A' ' 449' ' ' ASN 0.264 1.4 pp 54.96 92.63 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 123.269 1.509 . . . . 15.0 113.666 176.146 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 454' ' ' TYR . . . . . 1.032 ' CD1' ' HB3' ' A' ' 449' ' ' ASN . 31.6 m-85 -114.43 136.65 52.77 Favored 'General case' 0 CA--C 1.504 -0.802 0 CA-C-N 112.354 -2.203 . . . . 15.0 108.942 -177.882 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 3.8 p -111.36 101.28 9.75 Favored 'General case' 0 C--N 1.315 -0.921 0 N-CA-C 109.734 -0.469 . . . . 15.0 109.734 167.577 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 7.4 t -135.41 124.81 24.83 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.739 0.781 . . . . 15.0 111.061 178.445 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.494 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 27.1 m95 -77.75 -7.14 56.13 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.892 -1.049 . . . . 15.0 110.984 178.924 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -102.62 138.22 39.82 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.185 -0.461 . . . . 15.0 109.916 178.818 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 459' ' ' LYS . . . . . 0.465 ' HA ' ' HD2' ' A' ' 460' ' ' PRO . 66.9 tttt -70.97 121.24 83.5 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 115.909 -0.587 . . . . 15.0 110.386 -177.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 460' ' ' PRO . . . . . 0.465 ' HD2' ' HA ' ' A' ' 459' ' ' LYS . 11.1 Cg_endo . . . . . 0 C--N 1.342 0.2 0 C-N-CA 123.138 2.559 . . . . 15.0 111.317 177.103 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 434' ' ' GLU . . . . . 0.463 ' HG3' ' CD1' ' A' ' 435' ' ' TRP . 9.1 pt-20 . . . . . 0 CA--C 1.512 -0.492 0 CA-C-O 120.793 0.33 . . . . 15.0 111.217 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.463 ' CD1' ' HG3' ' A' ' 434' ' ' GLU . 42.6 m95 -89.61 138.1 31.76 Favored 'General case' 0 CA--C 1.502 -0.904 0 CA-C-N 116.243 -0.435 . . . . 15.0 109.926 -174.732 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.728 ' HB ' ' O ' ' A' ' 448' ' ' TYR . 1.1 m -122.85 137.05 55.04 Favored 'General case' 0 N--CA 1.414 -2.273 0 N-CA-C 108.752 -0.832 . . . . 15.0 108.752 -177.152 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 437' ' ' GLU . . . . . 0.403 ' O ' ' HG2' ' A' ' 437' ' ' GLU . 1.1 pm0 -109.99 130.49 55.52 Favored 'General case' 0 C--N 1.307 -1.268 0 C-N-CA 119.757 -0.777 . . . . 15.0 110.399 174.642 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -123.03 150.22 43.35 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.217 -0.901 . . . . 15.0 109.936 178.396 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 0.651 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 37.3 ttpt -128.53 133.69 48.47 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-N 115.448 -0.796 . . . . 15.0 110.363 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 440' ' ' THR . . . . . 0.689 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 9.6 p -89.93 145.92 24.77 Favored 'General case' 0 N--CA 1.436 -1.161 0 N-CA-C 104.888 -2.264 . . . . 15.0 104.888 165.904 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -65.77 -2.31 3.6 Favored 'General case' 0 C--N 1.308 -1.229 0 N-CA-C 113.121 0.786 . . . . 15.0 113.121 -165.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -84.91 0.99 49.24 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.525 0.679 . . . . 15.0 109.317 171.069 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.71 30.23 12.03 Favored Glycine 0 N--CA 1.443 -0.85 0 CA-C-N 114.976 -1.011 . . . . 15.0 112.997 171.901 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.689 ' HB2' ' OG1' ' A' ' 440' ' ' THR . 46.7 mttm -86.72 100.41 12.46 Favored 'General case' 0 C--N 1.315 -0.896 0 N-CA-C 109.95 -0.389 . . . . 15.0 109.95 171.68 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 17.3 m -91.95 89.28 6.93 Favored 'General case' 0 N--CA 1.439 -0.992 0 C-N-CA 119.322 -0.951 . . . . 15.0 108.908 172.231 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 446' ' ' TYR . . . . . 0.474 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 11.1 p90 -96.11 141.36 29.59 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.004 -0.998 . . . . 15.0 109.832 173.233 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 -96.92 109.43 22.16 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-O 121.799 0.809 . . . . 15.0 111.54 -173.584 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 448' ' ' TYR . . . . . 0.787 ' HA ' ' O ' ' A' ' 454' ' ' TYR . 43.3 t80 -107.48 112.17 24.81 Favored 'General case' 0 C--O 1.212 -0.915 0 CA-C-N 114.308 -1.315 . . . . 15.0 108.563 175.651 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 1.093 ' HB3' ' HD1' ' A' ' 454' ' ' TYR . 1.3 t-20 -89.92 145.72 24.92 Favored 'General case' 0 C--N 1.311 -1.086 0 O-C-N 121.813 -0.554 . . . . 15.0 110.583 -178.58 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -108.09 1.69 22.5 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 114.974 -1.012 . . . . 15.0 111.468 -163.253 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 73.1 ttt180 -94.11 -64.31 1.09 Allowed 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.346 -0.843 . . . . 15.0 109.234 174.349 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 452' ' ' THR . . . . . 0.402 ' C ' ' HG ' ' A' ' 453' ' ' LEU . 0.0 OUTLIER -98.47 -3.9 35.65 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 114.597 -1.183 . . . . 15.0 110.697 -177.56 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 453' ' ' LEU . . . . . 0.97 ' HA ' ' O ' ' A' ' 449' ' ' ASN 0.258 2.3 pp 49.46 98.82 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 123.283 1.516 . . . . 15.0 114.239 179.866 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 454' ' ' TYR . . . . . 1.093 ' HD1' ' HB3' ' A' ' 449' ' ' ASN . 34.7 m-85 -120.27 150.14 41.18 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 112.631 -2.077 . . . . 15.0 108.305 -178.901 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 13.8 p -126.08 95.82 4.53 Favored 'General case' 0 C--N 1.315 -0.926 0 C-N-CA 119.782 -0.767 . . . . 15.0 109.636 162.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 6.0 t -118.83 122.34 42.14 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.538 -0.755 . . . . 15.0 110.894 -177.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.474 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 67.1 m95 -81.13 0.1 37.76 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.11 -0.95 . . . . 15.0 110.555 177.07 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -114.41 134.45 54.98 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.962 -0.563 . . . . 15.0 110.095 178.114 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 33.0 tttp -62.22 122.86 75.55 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 115.454 -0.794 . . . . 15.0 111.143 -177.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo . . . . . 0 CA--C 1.529 0.267 0 C-N-CA 122.977 2.451 . . . . 15.0 111.761 179.428 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 434' ' ' GLU . . . . . 0.465 ' HB2' ' HG2' ' A' ' 451' ' ' ARG . 1.4 pm0 . . . . . 0 CA--C 1.514 -0.438 0 CA-C-O 120.798 0.332 . . . . 15.0 111.691 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.457 ' CD1' ' HG2' ' A' ' 434' ' ' GLU . 53.5 m95 -89.64 144.76 25.74 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 116.326 -0.397 . . . . 15.0 110.518 -172.663 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.693 ' HB ' ' O ' ' A' ' 448' ' ' TYR . 1.1 m -123.67 144.18 49.79 Favored 'General case' 0 N--CA 1.417 -2.076 0 C-N-CA 119.888 -0.725 . . . . 15.0 109.496 179.807 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -113.35 132.08 55.72 Favored 'General case' 0 C--N 1.31 -1.138 0 CA-C-O 121.406 0.622 . . . . 15.0 111.201 177.234 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 46.8 m-85 -126.75 150.08 49.28 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.617 -0.72 . . . . 15.0 110.046 177.105 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 0.699 ' HE3' HG23 ' A' ' 445' ' ' THR . 4.2 mptt -121.41 150.15 41.95 Favored 'General case' 0 CA--C 1.504 -0.808 0 CA-C-O 122.297 1.046 . . . . 15.0 112.147 175.334 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 440' ' ' THR . . . . . 0.494 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 71.5 p -93.78 150.83 20.06 Favored 'General case' 0 C--N 1.307 -1.26 0 CA-C-N 113.243 -1.799 . . . . 15.0 107.91 169.337 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -50.98 -22.51 2.32 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 112.533 0.568 . . . . 15.0 112.533 177.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 442' ' ' ASP . . . . . 0.454 ' OD2' ' HG3' ' A' ' 444' ' ' LYS . 3.4 p-10 -87.86 -0.42 56.95 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 120.959 0.409 . . . . 15.0 111.171 178.122 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.61 30.04 12.57 Favored Glycine 0 N--CA 1.448 -0.524 0 CA-C-N 115.995 -0.548 . . . . 15.0 113.045 171.79 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.598 ' O ' ' HA ' ' A' ' 439' ' ' LYS . 62.4 mttp -77.49 115.63 17.41 Favored 'General case' 0 CA--C 1.504 -0.812 0 N-CA-C 110.321 -0.251 . . . . 15.0 110.321 171.327 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 445' ' ' THR . . . . . 0.699 HG23 ' HE3' ' A' ' 439' ' ' LYS . 17.4 m -99.81 89.42 4.09 Favored 'General case' 0 N--CA 1.435 -1.207 0 C-N-CA 119.952 -0.699 . . . . 15.0 109.132 174.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 446' ' ' TYR . . . . . 0.628 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 17.3 p90 -104.21 145.4 30.26 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.395 -0.82 . . . . 15.0 110.107 173.649 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -101.52 108.86 20.55 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 121.581 0.705 . . . . 15.0 111.502 -175.255 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 448' ' ' TYR . . . . . 0.847 ' HA ' ' O ' ' A' ' 454' ' ' TYR . 39.2 t80 -101.88 110.21 22.14 Favored 'General case' 0 C--O 1.213 -0.846 0 CA-C-N 114.55 -1.204 . . . . 15.0 108.69 175.156 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 1.014 ' HB3' ' CD1' ' A' ' 454' ' ' TYR . 2.0 t-20 -90.02 147.56 23.6 Favored 'General case' 0 C--O 1.206 -1.215 0 O-C-N 122.015 -0.428 . . . . 15.0 110.793 -176.498 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -110.28 0.34 18.04 Favored 'General case' 0 N--CA 1.445 -0.703 0 N-CA-C 113.26 0.837 . . . . 15.0 113.26 -160.418 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 451' ' ' ARG . . . . . 0.482 ' HG3' ' OG1' ' A' ' 452' ' ' THR . 14.3 ptt180 -95.12 -30.82 13.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.457 0.646 . . . . 15.0 109.99 172.563 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 452' ' ' THR . . . . . 0.759 ' HB ' ' CE1' ' A' ' 454' ' ' TYR . 21.9 m -129.93 -8.02 4.44 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.195 -0.911 . . . . 15.0 110.3 -173.697 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 453' ' ' LEU . . . . . 0.909 ' HA ' ' O ' ' A' ' 449' ' ' ASN . 0.3 OUTLIER 54.76 91.36 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 122.751 1.263 . . . . 15.0 113.129 176.74 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 454' ' ' TYR . . . . . 1.014 ' CD1' ' HB3' ' A' ' 449' ' ' ASN . 16.7 m-85 -113.03 149.42 33.39 Favored 'General case' 0 CA--C 1.51 -0.568 0 CA-C-N 112.933 -1.939 . . . . 15.0 108.427 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 5.1 p -125.98 97.33 5.07 Favored 'General case' 0 C--N 1.313 -0.981 0 N-CA-C 109.465 -0.568 . . . . 15.0 109.465 167.25 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 4.8 t -126.96 124.3 39.16 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.767 -0.651 . . . . 15.0 111.094 -179.283 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.628 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 24.6 m95 -77.29 -7.02 55.29 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.328 -0.851 . . . . 15.0 109.961 173.616 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -103.15 140.85 36.8 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.201 -0.666 . . . . 15.0 109.201 -178.838 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 459' ' ' LYS . . . . . 0.46 ' HA ' ' HD2' ' A' ' 460' ' ' PRO . 37.9 ttpt -75.72 123.47 88.37 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-O 120.813 0.339 . . . . 15.0 111.686 -173.113 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 460' ' ' PRO . . . . . 0.46 ' HD2' ' HA ' ' A' ' 459' ' ' LYS . 19.2 Cg_endo . . . . . 0 CA--C 1.531 0.369 0 C-N-CA 123.419 2.746 . . . . 15.0 112.797 178.029 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.818 0 N-CA-C 112.089 -0.405 . . . . 15.0 112.089 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 429' ' ' ALA . . . . . 0.436 ' HB2' ' HA ' ' A' ' 462' ' ' GLU . . . -77.43 76.36 3.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.134 0.493 . . . . 15.0 111.462 -177.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 3.6 m -120.64 21.76 11.42 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.844 -0.616 . . . . 15.0 109.5 177.231 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . 61.84 92.7 0.05 Allowed 'General case' 0 C--O 1.232 0.147 0 CA-C-N 115.35 -0.841 . . . . 15.0 111.092 -176.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 432' ' ' VAL . . . . . 0.611 ' HB ' ' HG2' ' A' ' 434' ' ' GLU . 15.7 m -117.52 134.27 61.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.829 -0.623 . . . . 15.0 111.176 -177.512 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 44.4 t -90.05 3.21 53.95 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.909 -0.587 . . . . 15.0 110.783 -179.194 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 434' ' ' GLU . . . . . 0.729 ' HB2' ' HG2' ' A' ' 451' ' ' ARG . 10.0 pt-20 -68.85 -26.75 65.31 Favored 'General case' 0 CA--C 1.51 -0.572 0 CA-C-O 121.015 0.435 . . . . 15.0 111.068 178.663 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.51 ' HA ' ' HB2' ' A' ' 449' ' ' ASN . 31.2 m95 -89.63 139.84 30.15 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.668 -0.696 . . . . 15.0 109.368 -176.596 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.754 ' HB ' ' O ' ' A' ' 448' ' ' TYR . 1.1 m -120.58 140.26 51.78 Favored 'General case' 0 N--CA 1.413 -2.312 0 C-N-CA 119.382 -0.927 . . . . 15.0 109.315 -178.233 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -108.29 130.92 55.16 Favored 'General case' 0 C--N 1.309 -1.165 0 C-N-CA 119.835 -0.746 . . . . 15.0 111.101 173.778 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -122.97 150.06 43.47 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.978 -0.556 . . . . 15.0 110.132 177.581 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 0.97 ' HE3' ' HA2' ' A' ' 443' ' ' GLY . 31.4 tttp -121.93 142.18 50.55 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 116.079 -0.51 . . . . 15.0 109.84 176.256 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 440' ' ' THR . . . . . 0.699 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 3.0 p -98.8 147.36 24.99 Favored 'General case' 0 N--CA 1.435 -1.193 0 N-CA-C 105.3 -2.111 . . . . 15.0 105.3 164.234 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -69.56 0.04 5.96 Favored 'General case' 0 C--N 1.317 -0.814 0 C-N-CA 120.008 -0.677 . . . . 15.0 112.286 -166.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -83.4 0.43 46.09 Favored 'General case' 0 C--N 1.333 -0.128 0 N-CA-C 108.903 -0.777 . . . . 15.0 108.903 171.348 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 443' ' ' GLY . . . . . 0.97 ' HA2' ' HE3' ' A' ' 439' ' ' LYS . . . 90.05 30.07 13.65 Favored Glycine 0 N--CA 1.439 -1.117 0 CA-C-N 114.888 -1.051 . . . . 15.0 112.544 174.394 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.699 ' HB2' ' OG1' ' A' ' 440' ' ' THR . 29.5 mtmm -96.34 107.19 19.53 Favored 'General case' 0 CA--C 1.498 -1.026 0 CA-C-O 120.956 0.408 . . . . 15.0 110.79 173.71 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 1.8 m -100.47 89.27 3.89 Favored 'General case' 0 C--N 1.309 -1.157 0 N-CA-C 108.673 -0.862 . . . . 15.0 108.673 176.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 446' ' ' TYR . . . . . 0.611 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 10.8 p90 -98.5 149.19 22.98 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.44 -0.8 . . . . 15.0 110.637 176.014 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -97.55 116.11 29.14 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.795 0.807 . . . . 15.0 111.744 -175.085 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 448' ' ' TYR . . . . . 0.916 ' HA ' ' O ' ' A' ' 454' ' ' TYR . 71.4 t80 -112.34 111.21 21.91 Favored 'General case' 0 N--CA 1.44 -0.927 0 CA-C-N 114.346 -1.297 . . . . 15.0 108.572 173.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 1.082 ' HB3' ' HD1' ' A' ' 454' ' ' TYR . 1.3 t-20 -89.62 146.66 24.39 Favored 'General case' 0 CA--C 1.493 -1.248 0 O-C-N 122.03 -0.419 . . . . 15.0 110.093 -177.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -110.02 2.12 19.41 Favored 'General case' 0 N--CA 1.441 -0.88 0 N-CA-C 113.298 0.851 . . . . 15.0 113.298 -158.206 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 0.729 ' HG2' ' HB2' ' A' ' 434' ' ' GLU . 3.8 ptm180 -105.64 -25.72 12.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.144 0.497 . . . . 15.0 110.636 173.483 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 452' ' ' THR . . . . . 0.673 ' HB ' ' CE1' ' A' ' 454' ' ' TYR . 4.1 m -125.44 -10.3 6.89 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.748 -0.66 . . . . 15.0 109.926 -178.821 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 453' ' ' LEU . . . . . 0.903 ' HA ' ' O ' ' A' ' 449' ' ' ASN 0.262 2.5 pp 53.45 93.1 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 123.446 1.593 . . . . 15.0 113.804 177.514 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 454' ' ' TYR . . . . . 1.082 ' HD1' ' HB3' ' A' ' 449' ' ' ASN . 50.7 m-85 -115.55 133.78 55.7 Favored 'General case' 0 CA--C 1.509 -0.604 0 CA-C-N 112.392 -2.185 . . . . 15.0 108.973 -178.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 13.2 p -107.26 101.08 10.49 Favored 'General case' 0 C--N 1.314 -0.936 0 C-N-CA 119.717 -0.793 . . . . 15.0 109.366 164.556 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 9.8 t -130.85 126.49 36.36 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-O 121.899 0.857 . . . . 15.0 111.485 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.676 ' CZ3' ' HD2' ' A' ' 444' ' ' LYS . 47.0 m95 -82.92 -0.14 47.04 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 114.725 -1.125 . . . . 15.0 109.995 174.019 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -101.97 144.91 29.99 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.665 -0.698 . . . . 15.0 110.26 -177.608 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 30.3 tttm -89.05 112.46 51.09 Favored Pre-proline 0 C--N 1.322 -0.625 0 CA-C-N 115.857 -0.611 . . . . 15.0 109.526 -176.723 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.607 ' HG2' ' HB2' ' A' ' 463' ' ' LEU . 31.0 Cg_endo -67.19 168.22 18.15 Favored 'Trans proline' 0 C--O 1.225 -0.145 0 C-N-CA 123.246 2.631 . . . . 15.0 111.817 -174.242 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 461' ' ' GLN . . . . . 0.808 ' HA ' ' HE2' ' A' ' 464' ' ' LYS . 27.2 tp60 -66.27 -28.63 68.86 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.902 0.382 . . . . 15.0 111.07 -176.396 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 462' ' ' GLU . . . . . 0.436 ' HA ' ' HB2' ' A' ' 429' ' ' ALA . 2.1 pm0 -83.3 -6.23 59.4 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.005 0.431 . . . . 15.0 111.338 178.614 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.607 ' HB2' ' HG2' ' A' ' 460' ' ' PRO . 40.0 mt -124.24 13.34 8.94 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.764 -0.653 . . . . 15.0 109.908 176.866 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 464' ' ' LYS . . . . . 0.808 ' HE2' ' HA ' ' A' ' 461' ' ' GLN . 11.9 tppt? . . . . . 0 C--O 1.248 0.99 0 CA-C-O 118.515 -0.755 . . . . 15.0 111.095 -170.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.534 0 N-CA-C 111.812 -0.515 . . . . 15.0 111.812 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -82.97 155.26 24.09 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.821 0.343 . . . . 15.0 110.766 -179.3 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 6.8 t -70.69 -44.98 65.88 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.024 -0.535 . . . . 15.0 112.142 -174.77 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -120.67 -69.58 0.83 Allowed 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.815 -0.354 . . . . 15.0 111.234 -175.402 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 18.3 m -77.99 118.88 25.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.146 0.498 . . . . 15.0 110.548 -179.515 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 30.0 t -89.97 11.56 20.15 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.042 0.448 . . . . 15.0 110.863 -174.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 434' ' ' GLU . . . . . 0.677 ' HB2' ' HG2' ' A' ' 451' ' ' ARG . 13.2 pt-20 -74.23 -29.99 61.96 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-O 120.933 0.397 . . . . 15.0 111.285 -179.687 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.457 ' CD1' ' HG3' ' A' ' 434' ' ' GLU . 35.5 m95 -89.78 139.78 30.24 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 116.079 -0.509 . . . . 15.0 110.004 -174.326 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.675 ' HB ' ' O ' ' A' ' 448' ' ' TYR . 1.1 m -123.83 143.41 50.35 Favored 'General case' 0 N--CA 1.417 -2.088 0 C-N-CA 119.771 -0.772 . . . . 15.0 109.67 -178.834 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -111.5 131.21 55.39 Favored 'General case' 0 C--N 1.31 -1.116 0 CA-C-O 121.495 0.664 . . . . 15.0 110.697 173.845 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -129.57 150.3 50.96 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.331 -0.849 . . . . 15.0 110.622 -178.606 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 0.518 ' HE2' ' HA2' ' A' ' 443' ' ' GLY . 55.6 tttt -124.51 137.57 54.41 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 115.314 -0.857 . . . . 15.0 109.606 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 440' ' ' THR . . . . . 0.738 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 2.2 p -90.3 149.39 22.36 Favored 'General case' 0 N--CA 1.437 -1.123 0 N-CA-C 105.228 -2.138 . . . . 15.0 105.228 164.121 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -69.07 -2.45 10.13 Favored 'General case' 0 C--N 1.312 -1.056 0 C-N-CA 120.1 -0.64 . . . . 15.0 112.193 -168.211 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -84.29 -1.8 55.93 Favored 'General case' 0 CA--C 1.528 0.113 0 N-CA-C 109.01 -0.737 . . . . 15.0 109.01 172.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 443' ' ' GLY . . . . . 0.518 ' HA2' ' HE2' ' A' ' 439' ' ' LYS . . . 90.81 25.16 25.79 Favored Glycine 0 N--CA 1.441 -0.993 0 CA-C-N 114.639 -1.164 . . . . 15.0 113.25 173.323 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.738 ' HB2' ' OG1' ' A' ' 440' ' ' THR . 40.6 mttp -84.3 104.62 14.48 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 109.854 -0.424 . . . . 15.0 109.854 168.881 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 7.2 m -95.94 89.22 5.15 Favored 'General case' 0 N--CA 1.437 -1.107 0 C-N-CA 119.224 -0.99 . . . . 15.0 108.824 173.781 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 446' ' ' TYR . . . . . 0.577 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 27.2 p90 -94.41 150.01 20.68 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.439 -0.8 . . . . 15.0 110.171 172.796 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 79.3 m-85 -100.73 108.09 19.84 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.692 0.758 . . . . 15.0 111.371 -175.053 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 448' ' ' TYR . . . . . 0.865 ' HA ' ' O ' ' A' ' 454' ' ' TYR . 38.5 t80 -102.82 112.98 26.03 Favored 'General case' 0 C--O 1.212 -0.917 0 CA-C-N 114.306 -1.315 . . . . 15.0 109.234 178.332 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 1.041 ' HB3' ' CD1' ' A' ' 454' ' ' TYR . 1.3 t-20 -89.89 148.01 23.41 Favored 'General case' 0 CA--C 1.493 -1.219 0 O-C-N 121.941 -0.474 . . . . 15.0 110.078 -179.575 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -110.89 -1.11 16.6 Favored 'General case' 0 N--CA 1.444 -0.74 0 N-CA-C 113.621 0.971 . . . . 15.0 113.621 -157.768 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 0.677 ' HG2' ' HB2' ' A' ' 434' ' ' GLU . 3.6 ptm180 -101.61 -32.28 10.43 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.194 -0.603 . . . . 15.0 110.397 172.638 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 452' ' ' THR . . . . . 0.694 ' HB ' ' CE1' ' A' ' 454' ' ' TYR . 10.1 m -118.23 -10.85 10.18 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.881 -0.6 . . . . 15.0 110.308 -178.521 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 453' ' ' LEU . . . . . 0.966 ' HA ' ' O ' ' A' ' 449' ' ' ASN . 0.3 OUTLIER 53.91 96.83 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 122.96 1.362 . . . . 15.0 113.546 178.25 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 454' ' ' TYR . . . . . 1.041 ' CD1' ' HB3' ' A' ' 449' ' ' ASN . 36.0 m-85 -116.83 143.86 45.18 Favored 'General case' 0 CA--C 1.51 -0.589 0 CA-C-N 112.764 -2.016 . . . . 15.0 108.831 -179.697 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 3.8 p -119.29 94.65 4.5 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-O 121.232 0.539 . . . . 15.0 109.904 165.288 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 4.1 t -117.75 125.37 50.51 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.48 0.657 . . . . 15.0 110.647 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.577 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 63.4 m95 -82.65 -8.22 59.61 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.95 -1.023 . . . . 15.0 110.399 178.401 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -104.69 133.03 50.21 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.44 -0.948 . . . . 15.0 108.44 177.039 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 19.9 ttmm -56.56 120.72 38.64 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 123.504 0.503 . . . . 15.0 110.007 -179.055 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.62 ' HD2' HD12 ' A' ' 463' ' ' LEU . 22.2 Cg_endo -61.77 155.13 56.12 Favored 'Trans proline' 0 N--CA 1.462 -0.377 0 C-N-CA 122.19 1.926 . . . . 15.0 111.033 -174.367 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 -66.78 -18.21 65.26 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.55 -0.295 . . . . 15.0 111.502 -170.094 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 462' ' ' GLU . . . . . 0.534 ' OE2' ' HB2' ' A' ' 460' ' ' PRO . 1.9 pm0 -87.24 -13.6 43.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.661 0.267 . . . . 15.0 111.624 176.797 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.62 HD12 ' HD2' ' A' ' 460' ' ' PRO . 29.4 mt -91.11 -10.25 42.64 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.624 -0.51 . . . . 15.0 109.624 173.122 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 52.8 mttp . . . . . 0 C--O 1.245 0.83 0 CA-C-O 118.608 -0.711 . . . . 15.0 109.653 174.023 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.54 0 N-CA-C 111.787 -0.525 . . . . 15.0 111.787 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -72.35 121.31 19.27 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.718 0.294 . . . . 15.0 110.678 179.479 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 35.4 m -86.53 89.68 7.98 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.326 0.584 . . . . 15.0 110.25 -179.514 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -121.47 -50.17 2.11 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.519 -0.764 . . . . 15.0 109.971 177.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 30.3 m -87.78 158.0 3.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.56 -0.746 . . . . 15.0 110.214 176.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 40.2 t -129.19 -11.58 4.65 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.976 0.417 . . . . 15.0 110.544 -178.674 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 434' ' ' GLU . . . . . 0.542 ' HB2' ' HG2' ' A' ' 451' ' ' ARG . 2.0 pm0 -78.51 -27.42 46.06 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.113 -0.494 . . . . 15.0 111.303 179.785 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.417 ' HA ' ' HB2' ' A' ' 449' ' ' ASN . 35.0 m95 -89.62 150.09 22.53 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 115.961 -0.563 . . . . 15.0 110.053 -172.704 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.596 ' HB ' ' O ' ' A' ' 448' ' ' TYR . 1.1 m -132.62 144.33 50.29 Favored 'General case' 0 N--CA 1.418 -2.065 0 C-N-CA 119.814 -0.755 . . . . 15.0 110.035 178.122 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 437' ' ' GLU . . . . . 0.408 ' O ' ' HG2' ' A' ' 437' ' ' GLU . 1.3 pm0 -110.28 126.6 54.36 Favored 'General case' 0 C--N 1.312 -1.031 0 CA-C-O 121.649 0.738 . . . . 15.0 110.691 170.605 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -119.56 150.3 40.5 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.492 -0.776 . . . . 15.0 110.225 179.269 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 0.494 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 2.2 mppt? -119.14 145.44 45.96 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 122.044 0.926 . . . . 15.0 112.086 179.701 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 440' ' ' THR . . . . . 0.448 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 67.3 p -89.81 150.93 22.04 Favored 'General case' 0 C--N 1.309 -1.185 0 CA-C-N 113.586 -1.643 . . . . 15.0 107.324 168.075 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -47.07 -26.88 1.17 Allowed 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 112.936 0.717 . . . . 15.0 112.936 178.612 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -88.4 -0.69 57.46 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-O 121.101 0.477 . . . . 15.0 111.474 178.178 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.01 30.32 13.11 Favored Glycine 0 CA--C 1.502 -0.779 0 CA-C-N 116.099 -0.5 . . . . 15.0 112.919 170.35 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.494 ' O ' ' HA ' ' A' ' 439' ' ' LYS . 64.9 mttm -71.72 103.17 2.99 Favored 'General case' 0 CA--C 1.502 -0.873 0 N-CA-C 109.117 -0.697 . . . . 15.0 109.117 168.057 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 13.2 m -89.88 89.31 7.68 Favored 'General case' 0 N--CA 1.431 -1.404 0 C-N-CA 119.245 -0.982 . . . . 15.0 108.526 173.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 446' ' ' TYR . . . . . 0.57 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 7.5 p90 -102.6 143.76 31.87 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.688 -0.687 . . . . 15.0 110.078 172.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -92.62 99.91 12.53 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 121.83 0.824 . . . . 15.0 111.528 -174.083 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 448' ' ' TYR . . . . . 0.8 ' HA ' ' O ' ' A' ' 454' ' ' TYR . 43.4 t80 -96.69 111.97 23.91 Favored 'General case' 0 N--CA 1.443 -0.81 0 CA-C-N 114.439 -1.255 . . . . 15.0 108.829 174.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.985 ' HB3' ' CD1' ' A' ' 454' ' ' TYR . 1.6 t-20 -89.72 145.98 24.83 Favored 'General case' 0 CA--C 1.491 -1.302 0 O-C-N 121.825 -0.547 . . . . 15.0 110.292 -179.364 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -109.97 -1.31 17.75 Favored 'General case' 0 N--CA 1.444 -0.759 0 N-CA-C 113.135 0.791 . . . . 15.0 113.135 -159.556 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 0.549 ' HG3' ' N ' ' A' ' 452' ' ' THR . 7.9 ptt180 -91.52 -34.56 14.73 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.532 0.682 . . . . 15.0 109.837 172.689 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 452' ' ' THR . . . . . 0.761 ' HB ' ' CE1' ' A' ' 454' ' ' TYR . 26.4 m -126.26 -11.35 6.37 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.067 -0.97 . . . . 15.0 110.144 -172.522 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 453' ' ' LEU . . . . . 0.928 ' HA ' ' O ' ' A' ' 449' ' ' ASN 0.256 0.3 OUTLIER 56.61 92.91 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 122.734 1.254 . . . . 15.0 113.059 178.218 . . . . . . . . 4 4 . 1 . 003 nuclear build full ' A' A ' 454' ' ' TYR . . . . . 0.985 ' CD1' ' HB3' ' A' ' 449' ' ' ASN . 22.0 m-85 -113.3 134.24 54.71 Favored 'General case' 0 CA--C 1.512 -0.493 0 CA-C-N 112.803 -1.999 . . . . 15.0 108.905 -179.059 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 3.4 p -105.97 98.71 8.36 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.682 -0.488 . . . . 15.0 109.682 167.75 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 4.5 t -130.2 124.78 33.36 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.671 0.748 . . . . 15.0 111.02 179.581 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.57 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 29.4 m95 -86.9 -5.88 58.96 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 114.976 -1.011 . . . . 15.0 109.296 175.047 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -92.27 136.56 33.1 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.008 -0.996 . . . . 15.0 109.453 175.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 459' ' ' LYS . . . . . 0.626 ' HE2' ' O ' ' A' ' 463' ' ' LEU . 56.3 tttt -77.96 118.95 75.37 Favored Pre-proline 0 C--N 1.321 -0.632 0 N-CA-C 109.326 -0.62 . . . . 15.0 109.326 -179.261 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.545 ' HG2' HD12 ' A' ' 463' ' ' LEU . 25.8 Cg_endo -67.91 159.54 52.42 Favored 'Trans proline' 0 N--CA 1.461 -0.427 0 C-N-CA 122.208 1.939 . . . . 15.0 111.87 -173.485 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 53.2 mm-40 -66.47 -16.17 63.92 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.156 -0.475 . . . . 15.0 111.517 -173.601 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 462' ' ' GLU . . . . . 0.488 ' OE1' ' HB2' ' A' ' 460' ' ' PRO . 1.9 pm0 -93.43 -2.4 54.64 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.376 -0.374 . . . . 15.0 111.631 178.202 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.626 ' O ' ' HE2' ' A' ' 459' ' ' LYS . 12.5 mt -118.9 3.13 11.58 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.642 -0.254 . . . . 15.0 111.463 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 464' ' ' LYS . . . . . 0.825 ' HE2' ' HA ' ' A' ' 464' ' ' LYS . 9.3 mmpt? . . . . . 0 C--O 1.248 0.985 0 O-C-N 123.594 0.559 . . . . 15.0 112.359 -174.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.818 0 N-CA-C 111.845 -0.502 . . . . 15.0 111.845 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -135.23 128.1 31.28 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.895 0.347 . . . . 15.0 111.074 -177.767 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 9.2 m -84.75 98.55 10.32 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.092 -0.707 . . . . 15.0 109.092 175.682 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -111.84 119.27 37.99 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 120.988 0.423 . . . . 15.0 111.993 -171.56 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 5.3 m -106.06 66.82 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 121.885 0.85 . . . . 15.0 109.527 173.162 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 10.6 t -90.75 12.61 18.64 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.122 -0.944 . . . . 15.0 110.336 -172.531 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 434' ' ' GLU . . . . . 0.488 ' HG3' ' CD1' ' A' ' 435' ' ' TRP . 6.9 pt-20 -69.4 -17.71 63.69 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-N 115.888 -0.596 . . . . 15.0 111.388 177.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.507 ' CZ3' ' HG3' ' A' ' 460' ' ' PRO . 43.8 m95 -89.56 147.43 23.95 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.976 -0.556 . . . . 15.0 110.406 -170.724 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.701 ' HB ' ' O ' ' A' ' 448' ' ' TYR . 1.1 m -124.77 140.5 52.87 Favored 'General case' 0 N--CA 1.42 -1.93 0 N-CA-C 108.804 -0.813 . . . . 15.0 108.804 179.794 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -110.45 132.17 54.41 Favored 'General case' 0 C--N 1.309 -1.166 0 C-N-CA 119.935 -0.706 . . . . 15.0 110.864 176.749 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -123.94 150.29 44.92 Favored 'General case' 0 CA--C 1.512 -0.506 0 CA-C-N 115.558 -0.747 . . . . 15.0 110.481 178.124 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 0.634 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 0.0 OUTLIER -120.51 145.81 46.92 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 115.229 -0.896 . . . . 15.0 110.905 172.704 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 440' ' ' THR . . . . . 0.409 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 63.9 p -89.79 150.98 22.03 Favored 'General case' 0 C--N 1.307 -1.266 0 N-CA-C 107.061 -1.459 . . . . 15.0 107.061 167.14 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -45.13 -33.03 2.02 Favored 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 112.413 0.523 . . . . 15.0 112.413 178.02 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -81.34 -0.6 41.85 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-O 120.934 0.397 . . . . 15.0 111.669 179.067 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.32 30.33 12.54 Favored Glycine 0 CA--C 1.503 -0.668 0 CA-C-N 116.366 -0.379 . . . . 15.0 113.004 170.438 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.634 ' O ' ' HA ' ' A' ' 439' ' ' LYS . 48.0 mttm -73.99 108.33 6.74 Favored 'General case' 0 CA--C 1.503 -0.859 0 N-CA-C 109.487 -0.56 . . . . 15.0 109.487 169.523 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 18.7 m -93.57 89.37 6.23 Favored 'General case' 0 N--CA 1.435 -1.187 0 C-N-CA 119.213 -0.995 . . . . 15.0 108.782 174.088 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 446' ' ' TYR . . . . . 0.538 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 26.8 p90 -104.7 147.76 27.32 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.611 -0.722 . . . . 15.0 110.071 172.715 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -102.14 112.86 25.68 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-O 121.625 0.726 . . . . 15.0 111.518 -174.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 448' ' ' TYR . . . . . 0.762 ' HA ' ' O ' ' A' ' 454' ' ' TYR . 63.2 t80 -108.39 112.68 25.23 Favored 'General case' 0 C--O 1.214 -0.812 0 CA-C-N 114.587 -1.188 . . . . 15.0 108.647 174.468 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 1.019 ' HB3' ' HD1' ' A' ' 454' ' ' TYR . 2.1 t-20 -90.01 149.66 22.45 Favored 'General case' 0 CA--C 1.495 -1.141 0 O-C-N 122.13 -0.356 . . . . 15.0 110.475 -177.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -113.4 -2.81 13.86 Favored 'General case' 0 N--CA 1.445 -0.702 0 O-C-N 124.231 0.957 . . . . 15.0 112.294 -160.466 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 26.1 ttp180 -93.82 -42.23 9.22 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.611 0.72 . . . . 15.0 109.918 173.772 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 452' ' ' THR . . . . . 0.445 ' O ' ' HG ' ' A' ' 453' ' ' LEU . 0.0 OUTLIER -116.8 -7.92 11.42 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 114.992 -1.004 . . . . 15.0 110.734 -176.403 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 453' ' ' LEU . . . . . 0.972 ' HA ' ' O ' ' A' ' 449' ' ' ASN 0.257 2.1 pp 52.36 100.12 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 123.122 1.439 . . . . 15.0 113.983 -179.567 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 454' ' ' TYR . . . . . 1.019 ' HD1' ' HB3' ' A' ' 449' ' ' ASN . 26.2 m-85 -121.54 148.67 44.18 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-N 112.857 -1.974 . . . . 15.0 108.77 -179.03 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 13.2 p -123.69 103.68 8.54 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 109.979 -0.378 . . . . 15.0 109.979 166.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 5.5 t -135.07 123.54 23.37 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.339 0.59 . . . . 15.0 111.215 -178.694 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.538 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 45.5 m95 -75.49 -16.77 60.26 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.451 -0.795 . . . . 15.0 110.18 173.801 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -84.72 139.42 32.01 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.463 -0.79 . . . . 15.0 109.917 176.315 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 24.5 tttm -71.88 121.32 84.23 Favored Pre-proline 0 C--N 1.323 -0.58 0 N-CA-C 109.214 -0.661 . . . . 15.0 109.214 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.565 ' HB2' ' HB2' ' A' ' 463' ' ' LEU . 82.0 Cg_exo -44.96 147.3 2.03 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 124.27 3.313 . . . . 15.0 113.994 -175.571 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 7.5 tp60 -60.56 -28.32 68.36 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.748 -0.66 . . . . 15.0 110.703 177.664 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 462' ' ' GLU . . . . . 0.46 ' H ' ' CD ' ' A' ' 462' ' ' GLU . 1.7 pm0 -94.45 3.23 55.43 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.914 -0.585 . . . . 15.0 111.136 179.732 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.565 ' HB2' ' HB2' ' A' ' 460' ' ' PRO . 7.2 mp -125.05 14.16 8.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 15.0 110.776 177.112 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt . . . . . 0 C--O 1.248 0.987 0 CA-C-O 118.511 -0.757 . . . . 15.0 111.07 -179.647 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.851 0 N-CA-C 111.914 -0.474 . . . . 15.0 111.914 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . 63.92 95.44 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 121.363 0.602 . . . . 15.0 111.679 -178.61 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 48.1 m -127.65 -53.9 1.34 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.956 -0.565 . . . . 15.0 110.569 178.279 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -106.92 -32.53 7.86 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.16 -0.473 . . . . 15.0 110.378 176.601 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 28.5 m -74.49 137.82 22.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 15.0 110.899 178.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 12.7 t -137.08 10.11 3.03 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.307 0.575 . . . . 15.0 109.98 -178.661 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 434' ' ' GLU . . . . . 0.484 ' HG3' ' CD1' ' A' ' 435' ' ' TRP . 9.5 pt-20 -76.41 -24.98 54.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.475 -0.784 . . . . 15.0 112.146 -177.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.484 ' CD1' ' HG3' ' A' ' 434' ' ' GLU . 42.5 m95 -89.76 140.71 29.32 Favored 'General case' 0 C--N 1.319 -0.761 0 N-CA-C 109.7 -0.482 . . . . 15.0 109.7 -173.764 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.78 ' HB ' ' O ' ' A' ' 448' ' ' TYR . 1.1 m -119.27 139.49 51.83 Favored 'General case' 0 N--CA 1.416 -2.156 0 N-CA-C 108.334 -0.987 . . . . 15.0 108.334 -177.608 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -109.94 133.45 53.16 Favored 'General case' 0 C--N 1.311 -1.107 0 C-N-CA 119.668 -0.813 . . . . 15.0 111.695 178.567 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -126.08 150.31 48.26 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-N 115.777 -0.647 . . . . 15.0 110.746 178.202 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 0.613 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 0.0 OUTLIER -122.89 146.29 47.71 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 115.318 -0.855 . . . . 15.0 110.882 171.283 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 440' ' ' THR . . . . . 0.462 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 81.9 p -89.98 150.95 21.91 Favored 'General case' 0 C--N 1.308 -1.205 0 N-CA-C 107.429 -1.323 . . . . 15.0 107.429 166.655 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -47.86 -24.04 0.9 Allowed 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 112.802 0.667 . . . . 15.0 112.802 177.804 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 442' ' ' ASP . . . . . 0.408 ' OD2' ' HG3' ' A' ' 444' ' ' LYS . 3.7 p-10 -87.4 -1.01 57.62 Favored 'General case' 0 N--CA 1.468 0.439 0 O-C-N 121.992 -0.443 . . . . 15.0 111.598 177.812 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.52 29.88 13.09 Favored Glycine 0 CA--C 1.504 -0.61 0 CA-C-N 116.36 -0.382 . . . . 15.0 112.937 171.178 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.613 ' O ' ' HA ' ' A' ' 439' ' ' LYS . 63.3 mttp -75.74 104.64 6.38 Favored 'General case' 0 CA--C 1.505 -0.756 0 N-CA-C 109.916 -0.401 . . . . 15.0 109.916 169.304 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 23.9 m -90.03 89.41 7.69 Favored 'General case' 0 N--CA 1.438 -1.069 0 C-N-CA 119.224 -0.991 . . . . 15.0 108.769 173.57 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 446' ' ' TYR . . . . . 0.545 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 11.3 p90 -104.42 145.51 30.17 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.607 -0.724 . . . . 15.0 109.815 172.133 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -102.55 113.68 27.26 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-O 121.723 0.773 . . . . 15.0 111.522 -173.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 448' ' ' TYR . . . . . 0.904 ' HA ' ' O ' ' A' ' 454' ' ' TYR . 57.5 t80 -106.63 109.21 21.06 Favored 'General case' 0 C--O 1.209 -1.076 0 CA-C-N 114.438 -1.255 . . . . 15.0 108.842 176.626 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 1.04 ' HB3' ' CD1' ' A' ' 454' ' ' TYR . 1.5 t-20 -89.91 147.71 23.57 Favored 'General case' 0 CA--C 1.491 -1.313 0 O-C-N 121.839 -0.538 . . . . 15.0 110.881 -176.519 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -110.02 3.27 20.23 Favored 'General case' 0 N--CA 1.445 -0.676 0 N-CA-C 113.129 0.789 . . . . 15.0 113.129 -159.715 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 0.45 ' HG3' ' OG1' ' A' ' 452' ' ' THR . 16.8 ptm180 -101.14 -30.63 11.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.281 0.562 . . . . 15.0 110.015 171.799 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 452' ' ' THR . . . . . 0.782 ' HB ' ' CE1' ' A' ' 454' ' ' TYR . 4.9 m -124.27 -9.11 7.56 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.384 -0.825 . . . . 15.0 110.344 -176.301 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 453' ' ' LEU . . . . . 0.915 ' HA ' ' O ' ' A' ' 449' ' ' ASN 0.254 0.2 OUTLIER 53.2 88.83 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 122.787 1.279 . . . . 15.0 113.155 177.998 . . . . . . . . 4 4 . 1 . 005 nuclear build full ' A' A ' 454' ' ' TYR . . . . . 1.04 ' CD1' ' HB3' ' A' ' 449' ' ' ASN . 46.7 m-85 -109.9 138.06 46.8 Favored 'General case' 0 CA--C 1.507 -0.705 0 CA-C-N 112.686 -2.052 . . . . 15.0 109.168 -179.031 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 3.8 p -113.28 105.19 13.12 Favored 'General case' 0 C--N 1.314 -0.935 0 N-CA-C 109.36 -0.607 . . . . 15.0 109.36 164.693 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 9.1 t -137.55 124.77 21.71 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.308 0.575 . . . . 15.0 110.744 179.657 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.554 ' CZ3' ' HD3' ' A' ' 444' ' ' LYS . 36.6 m95 -74.4 -6.48 48.45 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.623 -0.717 . . . . 15.0 110.994 175.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -101.23 143.64 31.06 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.999 0.428 . . . . 15.0 110.677 -176.159 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 459' ' ' LYS . . . . . 0.831 ' HD3' ' HA ' ' A' ' 464' ' ' LYS . 33.7 ttmt -82.79 118.6 72.33 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 115.792 -0.64 . . . . 15.0 110.261 179.508 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.648 ' HB2' ' OE2' ' A' ' 462' ' ' GLU . 58.1 Cg_endo -71.99 171.22 17.11 Favored 'Trans proline' 0 C--O 1.235 0.338 0 C-N-CA 122.891 2.394 . . . . 15.0 112.735 -177.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 21.5 mm-40 -68.41 -24.26 64.73 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.646 -0.706 . . . . 15.0 112.686 -170.705 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 462' ' ' GLU . . . . . 0.648 ' OE2' ' HB2' ' A' ' 460' ' ' PRO . 1.4 pm0 -94.52 -2.07 52.31 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.992 -0.283 . . . . 15.0 111.177 179.271 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.401 HD12 ' CG ' ' A' ' 460' ' ' PRO . 25.5 mt -111.99 7.19 19.76 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.383 -0.372 . . . . 15.0 111.188 177.344 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 464' ' ' LYS . . . . . 0.831 ' HA ' ' HD3' ' A' ' 459' ' ' LYS . 9.5 mmpt? . . . . . 0 C--O 1.25 1.12 0 CA-C-O 118.552 -0.737 . . . . 15.0 111.138 -179.35 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.727 0 N-CA-C 111.651 -0.58 . . . . 15.0 111.651 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -142.79 108.67 5.16 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.938 0.399 . . . . 15.0 110.951 -178.037 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 8.4 m -109.76 -39.49 5.09 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.297 0.57 . . . . 15.0 109.827 177.618 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -127.49 119.04 25.18 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.699 -0.682 . . . . 15.0 110.112 178.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 16.9 m -92.3 127.02 44.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 121.344 0.592 . . . . 15.0 110.784 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 41.6 m -150.25 2.54 0.49 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.767 -0.651 . . . . 15.0 110.772 -179.407 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 434' ' ' GLU . . . . . 0.498 ' HB2' ' HG2' ' A' ' 451' ' ' ARG . 1.2 pm0 -77.14 -25.72 52.33 Favored 'General case' 0 CA--C 1.512 -0.482 0 CA-C-N 116.359 -0.382 . . . . 15.0 111.705 -173.777 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.47 ' CD1' ' HG2' ' A' ' 434' ' ' GLU . 45.0 m95 -89.46 138.96 31.0 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 116.208 -0.451 . . . . 15.0 109.877 -173.251 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.803 ' HB ' ' O ' ' A' ' 448' ' ' TYR . 1.1 m -118.26 131.51 56.35 Favored 'General case' 0 N--CA 1.415 -2.202 0 N-CA-C 108.435 -0.95 . . . . 15.0 108.435 -176.728 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.17 130.15 50.28 Favored 'General case' 0 C--N 1.309 -1.156 0 C-N-CA 118.975 -1.09 . . . . 15.0 111.223 177.236 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -122.77 150.11 43.23 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.666 -0.697 . . . . 15.0 110.882 178.096 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 0.607 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 0.1 OUTLIER -125.8 145.88 50.03 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.418 -0.81 . . . . 15.0 110.74 173.021 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 440' ' ' THR . . . . . 0.521 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 65.6 p -89.67 150.78 22.2 Favored 'General case' 0 C--N 1.31 -1.135 0 N-CA-C 107.093 -1.447 . . . . 15.0 107.093 167.264 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -46.64 -24.9 0.61 Allowed 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 113.183 0.809 . . . . 15.0 113.183 -179.666 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 442' ' ' ASP . . . . . 0.513 ' OD2' ' HG3' ' A' ' 444' ' ' LYS . 7.1 p-10 -85.98 -2.02 57.89 Favored 'General case' 0 N--CA 1.47 0.531 0 O-C-N 122.031 -0.418 . . . . 15.0 111.393 178.012 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.08 30.36 12.89 Favored Glycine 0 CA--C 1.505 -0.583 0 CA-C-N 115.981 -0.554 . . . . 15.0 113.132 171.53 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.607 ' O ' ' HA ' ' A' ' 439' ' ' LYS . 51.9 mttp -73.46 107.48 5.77 Favored 'General case' 0 CA--C 1.504 -0.794 0 N-CA-C 109.93 -0.396 . . . . 15.0 109.93 169.546 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 445' ' ' THR . . . . . 0.59 HG23 ' HD2' ' A' ' 439' ' ' LYS . 14.0 m -92.47 89.4 6.75 Favored 'General case' 0 N--CA 1.435 -1.203 0 C-N-CA 119.338 -0.945 . . . . 15.0 109.29 176.15 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 446' ' ' TYR . . . . . 0.622 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 5.4 p90 -105.81 144.05 33.1 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.424 -0.807 . . . . 15.0 110.562 171.691 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -99.26 117.91 34.76 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-O 121.6 0.714 . . . . 15.0 111.405 -175.738 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 448' ' ' TYR . . . . . 0.847 ' HA ' ' O ' ' A' ' 454' ' ' TYR . 47.3 t80 -112.75 108.9 18.09 Favored 'General case' 0 C--O 1.209 -1.048 0 CA-C-N 114.539 -1.21 . . . . 15.0 108.502 175.203 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 1.029 ' HB3' ' CD1' ' A' ' 454' ' ' TYR . 2.2 t-20 -90.07 144.93 25.46 Favored 'General case' 0 C--O 1.203 -1.374 0 O-C-N 121.69 -0.631 . . . . 15.0 111.361 -176.636 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -107.11 2.55 24.98 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 115.317 -0.856 . . . . 15.0 113.107 -162.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 0.564 ' HG3' ' OG1' ' A' ' 452' ' ' THR . 10.8 ptt180 -93.47 -25.96 17.4 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 121.467 0.651 . . . . 15.0 109.77 172.568 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 452' ' ' THR . . . . . 0.76 ' HB ' ' CE1' ' A' ' 454' ' ' TYR . 16.1 m -136.67 -12.76 1.75 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.137 -0.938 . . . . 15.0 110.585 -171.684 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 453' ' ' LEU . . . . . 0.867 ' HA ' ' O ' ' A' ' 449' ' ' ASN 0.267 0.3 OUTLIER 57.18 86.0 0.08 Allowed 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 122.886 1.326 . . . . 15.0 112.764 179.846 . . . . . . . . 4 4 . 1 . 006 nuclear build full ' A' A ' 454' ' ' TYR . . . . . 1.029 ' CD1' ' HB3' ' A' ' 449' ' ' ASN . 32.4 m-85 -106.56 146.34 30.77 Favored 'General case' 0 CA--C 1.511 -0.519 0 CA-C-N 112.635 -2.075 . . . . 15.0 108.586 178.36 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 5.7 p -122.34 96.74 5.16 Favored 'General case' 0 C--N 1.319 -0.739 0 C-N-CA 120.535 -0.466 . . . . 15.0 109.876 166.048 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 4.2 t -123.6 123.79 41.36 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.548 0.69 . . . . 15.0 110.93 -178.599 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.622 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 51.8 m95 -82.91 -0.16 47.11 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.197 -0.91 . . . . 15.0 110.175 175.498 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -108.98 142.4 39.7 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.865 -0.607 . . . . 15.0 109.962 179.614 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 23.4 ttmm -74.06 121.59 85.55 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.469 -0.332 . . . . 15.0 110.597 -178.715 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.559 ' HB2' ' OE1' ' A' ' 462' ' ' GLU . 75.0 Cg_endo -77.89 166.78 24.69 Favored 'Trans proline' 0 C--O 1.235 0.347 0 C-N-CA 122.866 2.377 . . . . 15.0 112.655 -179.436 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 25.9 mp0 -63.22 -27.83 69.63 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.212 -0.904 . . . . 15.0 112.626 -172.455 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 462' ' ' GLU . . . . . 0.559 ' OE1' ' HB2' ' A' ' 460' ' ' PRO . 1.7 pm0 -84.29 -5.51 59.27 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 111.769 0.285 . . . . 15.0 111.769 -178.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.435 HD12 ' CG ' ' A' ' 460' ' ' PRO . 48.8 mt -113.32 -0.6 14.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.598 0.237 . . . . 15.0 111.536 -179.566 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 5.7 ptmm? . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.17 -0.919 . . . . 15.0 111.033 179.65 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.843 0 N-CA-C 112.27 -0.332 . . . . 15.0 112.27 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -87.35 151.24 23.26 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.968 -0.382 . . . . 15.0 109.968 179.316 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 12.5 p -75.9 102.81 5.69 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.564 -0.289 . . . . 15.0 111.134 -179.541 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . 67.58 175.89 0.26 Allowed 'General case' 0 C--O 1.233 0.215 0 O-C-N 123.862 0.726 . . . . 15.0 111.578 179.035 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 26.8 m -88.38 156.96 3.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.019 -0.537 . . . . 15.0 111.044 -178.301 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 22.0 t -130.94 -10.21 3.85 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.963 -0.562 . . . . 15.0 109.997 177.675 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 434' ' ' GLU . . . . . 0.411 ' CB ' ' HD3' ' A' ' 451' ' ' ARG . 1.5 pm0 -66.75 -34.74 78.5 Favored 'General case' 0 CA--C 1.512 -0.496 0 CA-C-N 115.961 -0.563 . . . . 15.0 110.48 175.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.484 ' HA ' ' HB2' ' A' ' 449' ' ' ASN . 43.7 m95 -89.55 138.54 31.37 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.491 -0.777 . . . . 15.0 109.586 -175.162 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.763 ' HB ' ' O ' ' A' ' 448' ' ' TYR . 1.1 m -120.3 139.48 52.66 Favored 'General case' 0 N--CA 1.417 -2.116 0 C-N-CA 119.432 -0.907 . . . . 15.0 108.931 -177.435 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -110.44 133.79 52.94 Favored 'General case' 0 C--N 1.306 -1.308 0 CA-C-O 121.522 0.677 . . . . 15.0 110.692 176.232 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -129.08 150.14 50.6 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.439 -0.8 . . . . 15.0 110.1 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 0.567 ' HE3' ' OG1' ' A' ' 445' ' ' THR . 3.6 mptt -120.98 150.1 41.64 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-O 122.37 1.081 . . . . 15.0 112.065 174.671 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 440' ' ' THR . . . . . 0.628 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 1.6 p -106.05 150.23 25.95 Favored 'General case' 0 C--N 1.301 -1.513 0 CA-C-N 113.159 -1.837 . . . . 15.0 107.847 167.298 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -57.08 -12.55 2.21 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 113.159 0.8 . . . . 15.0 113.159 -172.614 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 21.0 p30 -86.57 -0.26 55.78 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.903 0.382 . . . . 15.0 111.107 177.176 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.05 30.24 13.24 Favored Glycine 0 CA--C 1.507 -0.407 0 CA-C-N 115.945 -0.571 . . . . 15.0 112.71 171.265 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.628 ' HB2' ' OG1' ' A' ' 440' ' ' THR . 62.5 mttt -90.73 113.57 25.7 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.4 -0.4 . . . . 15.0 110.521 174.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 445' ' ' THR . . . . . 0.567 ' OG1' ' HE3' ' A' ' 439' ' ' LYS . 4.4 m -96.85 89.57 4.93 Favored 'General case' 0 N--CA 1.437 -1.078 0 C-N-CA 119.619 -0.833 . . . . 15.0 108.863 171.618 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 446' ' ' TYR . . . . . 0.621 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 21.7 p90 -99.41 144.85 28.05 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 116.052 -0.522 . . . . 15.0 110.191 173.52 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 59.7 m-85 -98.38 114.25 26.52 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.506 0.67 . . . . 15.0 111.838 -173.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 448' ' ' TYR . . . . . 0.887 ' HA ' ' O ' ' A' ' 454' ' ' TYR . 71.7 t80 -108.25 108.96 20.19 Favored 'General case' 0 C--O 1.211 -0.951 0 CA-C-N 114.464 -1.244 . . . . 15.0 108.482 174.205 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.976 ' HB3' ' CD1' ' A' ' 454' ' ' TYR . 1.6 t-20 -89.7 143.01 27.15 Favored 'General case' 0 CA--C 1.49 -1.362 0 O-C-N 121.837 -0.539 . . . . 15.0 110.705 -177.014 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -105.96 0.71 25.98 Favored 'General case' 0 N--CA 1.442 -0.846 0 CA-C-N 114.899 -1.046 . . . . 15.0 113.134 -162.597 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 0.517 ' HG2' ' OD1' ' A' ' 449' ' ' ASN . 27.2 ptt180 -92.19 -20.49 21.15 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 121.413 0.625 . . . . 15.0 110.111 174.585 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 452' ' ' THR . . . . . 0.674 ' HB ' ' CE1' ' A' ' 454' ' ' TYR . 57.9 m -148.26 -9.94 0.38 Allowed 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.394 -0.821 . . . . 15.0 110.569 -171.026 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 453' ' ' LEU . . . . . 0.858 ' HA ' ' O ' ' A' ' 449' ' ' ASN 0.286 3.2 pp 60.01 94.8 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 123.327 1.537 . . . . 15.0 113.417 175.001 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 454' ' ' TYR . . . . . 0.976 ' CD1' ' HB3' ' A' ' 449' ' ' ASN . 18.2 m-85 -118.55 146.09 44.85 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 112.298 -2.228 . . . . 15.0 108.218 -178.772 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 3.4 p -123.77 94.38 4.22 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-O 121.17 0.51 . . . . 15.0 110.208 167.791 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 3.0 t -122.25 123.07 40.59 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.651 -0.704 . . . . 15.0 110.556 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.621 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 40.7 m95 -80.8 -8.4 59.68 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.491 -0.777 . . . . 15.0 109.857 177.12 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -97.06 141.36 30.3 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.516 -0.765 . . . . 15.0 110.178 179.382 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 459' ' ' LYS . . . . . 0.629 ' HE2' ' O ' ' A' ' 463' ' ' LEU . 38.2 tttt -72.89 120.15 79.32 Favored Pre-proline 0 C--N 1.322 -0.61 0 CA-C-N 115.42 -0.809 . . . . 15.0 110.353 -177.635 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.603 ' HB2' ' OE2' ' A' ' 462' ' ' GLU . 61.2 Cg_endo -73.86 167.3 27.56 Favored 'Trans proline' 0 N--CA 1.461 -0.394 0 C-N-CA 122.896 2.398 . . . . 15.0 112.053 -177.503 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 7.6 mm-40 -67.07 -28.63 68.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.205 -0.452 . . . . 15.0 111.923 -171.461 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 462' ' ' GLU . . . . . 0.603 ' OE2' ' HB2' ' A' ' 460' ' ' PRO . 1.4 pm0 -86.19 -2.5 58.42 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.005 0.431 . . . . 15.0 111.068 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.629 ' O ' ' HE2' ' A' ' 459' ' ' LYS . 40.1 mt -117.74 -0.14 11.86 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.325 -0.398 . . . . 15.0 110.232 175.881 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 21.4 tptt . . . . . 0 C--O 1.249 1.057 0 O-C-N 123.926 0.766 . . . . 15.0 111.313 -173.247 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.941 0 N-CA-C 112.694 -0.162 . . . . 15.0 112.694 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -70.26 105.55 3.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.732 0.301 . . . . 15.0 111.714 -174.753 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 97.0 m 58.02 -92.43 0.03 OUTLIER 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 115.526 -0.761 . . . . 15.0 111.916 179.052 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . 176.04 138.21 0.06 Allowed 'General case' 0 CA--C 1.52 -0.209 0 N-CA-C 109.681 -0.488 . . . . 15.0 109.681 -176.656 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 35.5 m -95.89 134.44 33.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 N-CA-C 109.892 -0.41 . . . . 15.0 109.892 175.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 18.9 m -107.08 -1.43 22.06 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 120.876 0.37 . . . . 15.0 111.124 -178.435 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 434' ' ' GLU . . . . . 0.484 ' HG3' ' CD1' ' A' ' 435' ' ' TRP . 8.7 pt-20 -75.26 -26.23 58.65 Favored 'General case' 0 CA--C 1.51 -0.589 0 CA-C-O 121.084 0.469 . . . . 15.0 110.769 178.639 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.484 ' CD1' ' HG3' ' A' ' 434' ' ' GLU . 45.1 m95 -89.51 141.14 28.85 Favored 'General case' 0 N--CA 1.44 -0.963 0 CA-C-N 115.575 -0.738 . . . . 15.0 109.35 -174.558 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.688 ' HB ' ' O ' ' A' ' 448' ' ' TYR . 1.1 m -123.35 142.67 50.72 Favored 'General case' 0 N--CA 1.412 -2.343 0 C-N-CA 119.522 -0.871 . . . . 15.0 109.378 -178.551 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 3.5 pm0 -113.32 130.33 56.3 Favored 'General case' 0 C--N 1.309 -1.19 0 CA-C-O 121.634 0.73 . . . . 15.0 111.09 173.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -125.53 150.24 47.6 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.338 -0.846 . . . . 15.0 110.11 177.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 0.559 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 11.8 mptt -118.59 150.1 40.24 Favored 'General case' 0 CA--C 1.503 -0.851 0 CA-C-O 121.963 0.887 . . . . 15.0 111.704 174.737 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 440' ' ' THR . . . . . 0.456 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 66.3 p -91.47 150.76 21.08 Favored 'General case' 0 C--N 1.304 -1.409 0 CA-C-N 113.507 -1.679 . . . . 15.0 107.769 169.315 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -44.61 -30.42 0.91 Allowed 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 112.581 0.586 . . . . 15.0 112.581 175.715 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 442' ' ' ASP . . . . . 0.408 ' OD2' ' HG3' ' A' ' 444' ' ' LYS . 5.3 p-10 -86.16 0.6 53.23 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-O 120.772 0.32 . . . . 15.0 111.579 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.6 29.87 12.94 Favored Glycine 0 CA--C 1.508 -0.384 0 CA-C-N 116.368 -0.378 . . . . 15.0 113.137 169.692 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.559 ' O ' ' HA ' ' A' ' 439' ' ' LYS . 57.6 mttp -75.97 108.98 9.23 Favored 'General case' 0 CA--C 1.508 -0.661 0 N-CA-C 110.261 -0.274 . . . . 15.0 110.261 172.214 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 31.9 m -91.76 89.53 7.13 Favored 'General case' 0 N--CA 1.438 -1.035 0 C-N-CA 119.538 -0.865 . . . . 15.0 109.096 174.03 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 446' ' ' TYR . . . . . 0.593 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 20.3 p90 -106.04 146.05 30.62 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.594 -0.73 . . . . 15.0 110.081 173.229 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -99.58 110.66 23.08 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.849 0.833 . . . . 15.0 111.231 -175.105 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 448' ' ' TYR . . . . . 0.888 ' HA ' ' O ' ' A' ' 454' ' ' TYR . 56.5 t80 -108.23 110.23 21.79 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 114.106 -1.407 . . . . 15.0 108.839 177.147 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.984 ' HB3' ' CD1' ' A' ' 454' ' ' TYR . 1.4 t-20 -89.71 147.4 23.88 Favored 'General case' 0 CA--C 1.494 -1.194 0 O-C-N 122.057 -0.402 . . . . 15.0 110.596 -177.07 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -112.34 6.43 18.79 Favored 'General case' 0 N--CA 1.447 -0.62 0 O-C-N 123.91 0.756 . . . . 15.0 112.853 -159.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 0.438 ' HG2' ' OD1' ' A' ' 449' ' ' ASN . 12.3 ptm180 -100.54 -26.77 13.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.561 0.696 . . . . 15.0 109.822 171.7 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 452' ' ' THR . . . . . 0.699 ' HB ' ' CE1' ' A' ' 454' ' ' TYR . 39.2 m -136.04 -7.0 2.09 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.089 -0.959 . . . . 15.0 110.347 -173.332 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 453' ' ' LEU . . . . . 0.915 ' HA ' ' O ' ' A' ' 449' ' ' ASN 0.252 0.3 OUTLIER 54.79 92.11 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 122.96 1.362 . . . . 15.0 113.216 174.534 . . . . . . . . 4 4 . 1 . 008 nuclear build full ' A' A ' 454' ' ' TYR . . . . . 0.984 ' CD1' ' HB3' ' A' ' 449' ' ' ASN . 32.1 m-85 -113.61 142.18 46.29 Favored 'General case' 0 CA--C 1.508 -0.635 0 CA-C-N 112.538 -2.119 . . . . 15.0 108.8 -178.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 4.4 p -118.25 90.65 3.38 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 121.42 0.629 . . . . 15.0 110.227 168.158 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 3.5 t -117.84 123.16 45.23 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.345 -0.843 . . . . 15.0 110.691 -178.716 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.593 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 55.0 m95 -81.79 0.22 40.24 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 114.921 -1.036 . . . . 15.0 111.184 179.36 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -120.8 141.02 50.91 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.943 -0.571 . . . . 15.0 110.517 179.323 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 4.0 ttmp? -75.84 121.86 85.87 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.126 -0.488 . . . . 15.0 111.813 -176.017 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.81 ' HG2' ' HB2' ' A' ' 463' ' ' LEU . 46.4 Cg_endo -69.16 154.98 69.27 Favored 'Trans proline' 0 CA--C 1.53 0.32 0 C-N-CA 122.733 2.288 . . . . 15.0 111.296 172.271 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 -74.67 -21.55 59.35 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.946 0.403 . . . . 15.0 110.927 -173.752 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -82.89 -2.46 54.91 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.034 -0.53 . . . . 15.0 111.391 179.184 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.81 ' HB2' ' HG2' ' A' ' 460' ' ' PRO . 1.5 tt -94.55 -6.54 43.46 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.463 0.649 . . . . 15.0 109.725 179.657 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 464' ' ' LYS . . . . . 0.402 ' HE2' ' HB2' ' A' ' 464' ' ' LYS . 7.1 ptmm? . . . . . 0 C--O 1.251 1.141 0 CA-C-N 115.928 -0.578 . . . . 15.0 110.515 179.218 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.835 0 N-CA-C 112.584 -0.206 . . . . 15.0 112.584 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -123.94 93.69 4.0 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.07 0.462 . . . . 15.0 110.197 178.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 6.1 p -113.32 100.02 8.23 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.978 -0.556 . . . . 15.0 110.948 -179.468 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -149.95 112.29 4.68 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.887 -0.597 . . . . 15.0 110.469 -179.298 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 3.1 m -85.19 76.49 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 121.585 0.707 . . . . 15.0 110.731 178.007 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 3.4 p -89.88 5.58 45.65 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.661 -0.699 . . . . 15.0 110.632 -178.382 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 434' ' ' GLU . . . . . 0.476 ' HG3' ' CD1' ' A' ' 435' ' ' TRP . 7.7 pt-20 -72.96 -17.75 61.44 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.588 -0.733 . . . . 15.0 111.45 177.778 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.526 ' HA ' ' HB2' ' A' ' 449' ' ' ASN . 47.4 m95 -89.55 145.71 25.09 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.211 -0.449 . . . . 15.0 110.057 -172.17 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.559 ' HB ' ' O ' ' A' ' 448' ' ' TYR . 1.1 m -127.6 123.76 36.47 Favored 'General case' 0 N--CA 1.415 -2.218 0 C-N-CA 119.731 -0.788 . . . . 15.0 109.283 -178.001 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 437' ' ' GLU . . . . . 0.478 ' HB3' ' CD1' ' A' ' 447' ' ' TYR . 0.5 OUTLIER -101.06 128.99 46.87 Favored 'General case' 0 C--N 1.304 -1.399 0 C-N-CA 118.355 -1.338 . . . . 15.0 111.088 176.678 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 47.6 m-85 -111.67 150.03 30.73 Favored 'General case' 0 C--N 1.31 -1.14 0 CA-C-N 114.632 -1.167 . . . . 15.0 109.371 179.718 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 0.591 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 0.0 OUTLIER -118.51 144.58 45.94 Favored 'General case' 0 CA--C 1.498 -1.053 0 CA-C-O 122.107 0.956 . . . . 15.0 112.279 176.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 440' ' ' THR . . . . . 0.508 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 70.1 p -92.32 150.49 20.82 Favored 'General case' 0 C--N 1.301 -1.528 0 CA-C-N 113.537 -1.665 . . . . 15.0 107.653 169.303 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -57.14 -15.69 6.12 Favored 'General case' 0 C--N 1.314 -0.962 0 N-CA-C 112.463 0.542 . . . . 15.0 112.463 -179.19 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -93.58 3.68 55.13 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 121.132 0.491 . . . . 15.0 111.166 176.47 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.73 29.77 12.84 Favored Glycine 0 N--CA 1.449 -0.497 0 CA-C-N 115.98 -0.554 . . . . 15.0 113.227 170.443 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.591 ' O ' ' HA ' ' A' ' 439' ' ' LYS . 53.2 mttp -81.66 111.55 18.04 Favored 'General case' 0 CA--C 1.507 -0.694 0 N-CA-C 110.089 -0.337 . . . . 15.0 110.089 170.045 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 26.4 m -99.25 89.47 4.23 Favored 'General case' 0 N--CA 1.439 -0.976 0 C-N-CA 119.63 -0.828 . . . . 15.0 108.893 171.727 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 446' ' ' TYR . . . . . 0.539 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 18.1 p90 -102.08 150.02 23.67 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.425 -0.807 . . . . 15.0 110.138 175.495 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 447' ' ' TYR . . . . . 0.613 ' CD2' ' HD3' ' A' ' 460' ' ' PRO . 87.5 m-85 -103.42 109.13 20.65 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-O 122.098 0.951 . . . . 15.0 112.255 -171.565 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 448' ' ' TYR . . . . . 0.805 ' HA ' ' O ' ' A' ' 454' ' ' TYR . 37.4 t80 -109.83 111.09 22.3 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 113.833 -1.53 . . . . 15.0 108.537 173.155 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 1.062 ' HB3' ' HD1' ' A' ' 454' ' ' TYR . 1.3 t-20 -89.62 149.26 22.9 Favored 'General case' 0 CA--C 1.493 -1.233 0 O-C-N 121.804 -0.56 . . . . 15.0 110.477 -176.568 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -109.99 -3.67 16.37 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.193 -0.912 . . . . 15.0 111.473 -162.046 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 69.3 ttt180 -88.97 -64.4 1.15 Allowed 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.692 0.758 . . . . 15.0 109.166 173.527 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 452' ' ' THR . . . . . 0.405 ' O ' ' HG ' ' A' ' 453' ' ' LEU . 0.0 OUTLIER -97.64 -4.91 36.52 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 114.49 -1.232 . . . . 15.0 110.87 -177.166 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 453' ' ' LEU . . . . . 0.999 ' HA ' ' O ' ' A' ' 449' ' ' ASN . 0.3 OUTLIER 49.21 100.61 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 122.762 1.268 . . . . 15.0 114.13 -178.936 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 454' ' ' TYR . . . . . 1.062 ' HD1' ' HB3' ' A' ' 449' ' ' ASN . 29.0 m-85 -120.61 150.17 41.33 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 113.028 -1.896 . . . . 15.0 108.931 -178.151 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 12.4 p -124.51 103.51 8.2 Favored 'General case' 0 C--N 1.317 -0.835 0 C-N-CA 120.289 -0.565 . . . . 15.0 109.963 162.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 456' ' ' THR . . . . . 0.487 ' OG1' ' HG3' ' A' ' 458' ' ' GLU . 6.4 t -128.65 128.42 44.11 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.552 0.692 . . . . 15.0 110.551 176.813 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.539 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 95.5 m95 -81.22 0.09 38.2 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.1 -0.954 . . . . 15.0 111.636 178.681 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 458' ' ' GLU . . . . . 0.487 ' HG3' ' OG1' ' A' ' 456' ' ' THR . 0.5 OUTLIER -116.93 152.43 34.55 Favored 'General case' 0 N--CA 1.44 -0.927 0 CA-C-N 116.203 -0.453 . . . . 15.0 110.166 177.322 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 459' ' ' LYS . . . . . 0.48 ' HA ' ' CE2' ' A' ' 447' ' ' TYR . 22.9 ttmm -61.6 125.54 84.79 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 115.797 -0.638 . . . . 15.0 110.26 -178.85 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.613 ' HD3' ' CD2' ' A' ' 447' ' ' TYR . 54.5 Cg_exo -48.75 145.9 12.18 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 123.326 2.684 . . . . 15.0 112.95 -175.514 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 81.6 mm-40 -57.04 -24.14 51.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.073 -0.512 . . . . 15.0 110.856 177.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -94.92 -2.57 50.33 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.802 -0.635 . . . . 15.0 111.925 -179.7 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.43 HD13 ' HB2' ' A' ' 460' ' ' PRO . 9.3 mp -116.62 -7.72 11.55 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 111.674 0.25 . . . . 15.0 111.674 178.624 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 464' ' ' LYS . . . . . 0.542 ' HG3' ' O ' ' A' ' 460' ' ' PRO . 68.1 mttm . . . . . 0 C--O 1.248 0.994 0 CA-C-O 118.808 -0.615 . . . . 15.0 110.412 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.638 0 N-CA-C 111.609 -0.596 . . . . 15.0 111.609 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . 49.78 68.13 0.79 Allowed 'General case' 0 C--O 1.235 0.337 0 O-C-N 124.154 0.561 . . . . 15.0 111.735 -179.194 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 31.5 m 69.5 -69.03 0.17 Allowed 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.704 -0.68 . . . . 15.0 111.265 -177.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . 174.2 104.02 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 123.599 0.76 . . . . 15.0 109.031 -176.308 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 432' ' ' VAL . . . . . 0.429 ' HB ' ' HG2' ' A' ' 434' ' ' GLU . 19.0 m -78.08 113.6 17.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 121.596 0.712 . . . . 15.0 110.305 178.636 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 30.2 t -89.94 1.76 55.88 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.527 -0.76 . . . . 15.0 110.382 -176.281 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 434' ' ' GLU . . . . . 0.714 ' HB2' ' HG2' ' A' ' 451' ' ' ARG . 8.4 pt-20 -70.64 -24.15 62.66 Favored 'General case' 0 CA--C 1.511 -0.528 0 CA-C-N 115.924 -0.58 . . . . 15.0 111.17 -178.806 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.547 ' HA ' ' HB2' ' A' ' 449' ' ' ASN . 50.7 m95 -89.6 137.71 32.09 Favored 'General case' 0 CA--C 1.499 -1.018 0 N-CA-C 109.1 -0.704 . . . . 15.0 109.1 -177.581 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.711 ' HB ' ' O ' ' A' ' 448' ' ' TYR . 1.1 m -117.01 114.16 23.39 Favored 'General case' 0 N--CA 1.417 -2.099 0 C-N-CA 118.803 -1.159 . . . . 15.0 109.666 -175.331 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -89.8 131.52 35.7 Favored 'General case' 0 C--N 1.309 -1.156 0 C-N-CA 119.699 -0.801 . . . . 15.0 110.793 -175.622 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 438' ' ' TYR . . . . . 0.467 ' O ' ' HA ' ' A' ' 445' ' ' THR . 50.7 m-85 -119.43 150.03 40.89 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.249 -0.887 . . . . 15.0 110.051 177.434 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 1.034 ' HE2' ' HA2' ' A' ' 443' ' ' GLY . 41.4 tttm -132.21 127.54 36.02 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-N 115.304 -0.862 . . . . 15.0 109.352 176.018 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 440' ' ' THR . . . . . 0.651 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 7.8 p -89.59 144.46 26.0 Favored 'General case' 0 N--CA 1.431 -1.385 0 N-CA-C 104.359 -2.46 . . . . 15.0 104.359 168.564 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -66.41 -1.3 3.35 Favored 'General case' 0 C--N 1.306 -1.285 0 N-CA-C 113.364 0.876 . . . . 15.0 113.364 -163.658 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 442' ' ' ASP . . . . . 0.461 ' OD2' ' HG3' ' A' ' 444' ' ' LYS . 7.8 p-10 -81.76 -0.62 43.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.799 0.809 . . . . 15.0 108.903 169.566 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 443' ' ' GLY . . . . . 1.034 ' HA2' ' HE2' ' A' ' 439' ' ' LYS . . . 90.59 26.04 23.91 Favored Glycine 0 CA--C 1.502 -0.726 0 CA-C-N 114.398 -1.274 . . . . 15.0 112.857 172.534 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.69 ' HD2' ' HZ3' ' A' ' 457' ' ' TRP . 30.3 mtmm -83.37 108.91 16.87 Favored 'General case' 0 CA--C 1.5 -0.966 0 C-N-CA 120.854 -0.338 . . . . 15.0 110.564 173.716 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 445' ' ' THR . . . . . 0.467 ' HA ' ' O ' ' A' ' 438' ' ' TYR . 7.4 m -100.12 89.35 3.99 Favored 'General case' 0 C--N 1.311 -1.084 0 N-CA-C 109.072 -0.714 . . . . 15.0 109.072 177.543 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 446' ' ' TYR . . . . . 0.528 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 6.5 p90 -102.28 143.21 32.35 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 114.927 -1.033 . . . . 15.0 110.446 174.692 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -99.16 114.78 27.72 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.63 0.729 . . . . 15.0 112.008 -174.109 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 448' ' ' TYR . . . . . 0.886 ' HA ' ' O ' ' A' ' 454' ' ' TYR . 60.6 t80 -107.43 107.57 18.51 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 114.636 -1.165 . . . . 15.0 108.657 171.64 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 1.044 ' HB3' ' CD1' ' A' ' 454' ' ' TYR . 1.3 t-20 -89.66 148.51 23.27 Favored 'General case' 0 CA--C 1.493 -1.215 0 O-C-N 122.19 -0.319 . . . . 15.0 110.469 -175.375 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -110.59 -0.44 17.27 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 113.244 0.831 . . . . 15.0 113.244 -159.679 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 0.714 ' HG2' ' HB2' ' A' ' 434' ' ' GLU . 3.4 ptm180 -104.18 -27.33 12.12 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.469 -0.492 . . . . 15.0 110.608 173.576 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 452' ' ' THR . . . . . 0.774 ' HB ' ' CE1' ' A' ' 454' ' ' TYR . 3.6 m -123.41 -7.47 8.13 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.912 -0.586 . . . . 15.0 110.027 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 453' ' ' LEU . . . . . 0.958 ' HA ' ' O ' ' A' ' 449' ' ' ASN 0.251 0.3 OUTLIER 50.61 94.3 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 122.809 1.29 . . . . 15.0 113.877 178.008 . . . . . . . . 4 4 . 1 . 010 nuclear build full ' A' A ' 454' ' ' TYR . . . . . 1.044 ' CD1' ' HB3' ' A' ' 449' ' ' ASN . 27.5 m-85 -116.26 147.96 40.97 Favored 'General case' 0 CA--C 1.507 -0.708 0 CA-C-N 112.943 -1.935 . . . . 15.0 108.788 -179.282 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 20.2 p -117.51 89.9 3.22 Favored 'General case' 0 C--N 1.314 -0.977 0 N-CA-C 108.508 -0.923 . . . . 15.0 108.508 160.153 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 4.0 m -115.25 110.13 18.98 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 114.57 -1.196 . . . . 15.0 110.586 -171.223 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.69 ' HZ3' ' HD2' ' A' ' 444' ' ' LYS . 86.2 m95 -77.31 -0.12 24.32 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.184 -0.462 . . . . 15.0 111.831 -178.25 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -121.09 151.72 39.52 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 116.257 -0.429 . . . . 15.0 110.078 -179.194 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 18.6 ttmm -76.31 118.35 70.76 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 116.467 -0.333 . . . . 15.0 110.397 -178.438 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.879 ' HG2' ' HB2' ' A' ' 463' ' ' LEU . 36.9 Cg_endo -66.24 148.56 84.93 Favored 'Trans proline' 0 C--O 1.234 0.303 0 C-N-CA 122.985 2.456 . . . . 15.0 112.251 179.478 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -66.51 -24.61 66.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 15.0 111.32 -177.232 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 5.2 pm0 -79.0 -11.59 60.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.281 0.562 . . . . 15.0 110.786 179.047 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.879 ' HB2' ' HG2' ' A' ' 460' ' ' PRO . 8.9 tp -96.28 -6.59 37.53 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.054 -0.521 . . . . 15.0 109.697 -179.68 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 9.2 mtpm? . . . . . 0 C--O 1.245 0.844 0 CA-C-O 118.241 -0.885 . . . . 15.0 109.908 179.693 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.496 0 N-CA-C 111.512 -0.635 . . . . 15.0 111.512 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 429' ' ' ALA . . . . . 0.439 ' HA ' ' O ' ' A' ' 432' ' ' VAL . . . -88.23 73.13 8.96 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.145 0.498 . . . . 15.0 111.34 -176.481 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 16.7 m -82.01 -38.36 25.16 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.846 -0.615 . . . . 15.0 109.775 175.284 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -150.2 -49.34 0.13 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.245 -0.889 . . . . 15.0 108.919 177.576 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 432' ' ' VAL . . . . . 0.553 ' HB ' ' OE1' ' A' ' 434' ' ' GLU . 27.3 m -93.36 160.5 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.272 -0.877 . . . . 15.0 109.24 171.745 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 22.6 t -146.33 3.39 0.89 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.679 0.276 . . . . 15.0 111.52 -175.555 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 434' ' ' GLU . . . . . 0.553 ' OE1' ' HB ' ' A' ' 432' ' ' VAL . 1.5 pm0 -71.44 -32.05 67.9 Favored 'General case' 0 CA--C 1.51 -0.568 0 CA-C-O 121.185 0.516 . . . . 15.0 111.107 176.86 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.432 ' CZ3' ' HG3' ' A' ' 460' ' ' PRO . 42.5 m95 -89.63 145.75 25.03 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 115.554 -0.748 . . . . 15.0 110.126 -174.343 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.703 ' HB ' ' O ' ' A' ' 448' ' ' TYR . 1.1 m -125.65 145.42 50.17 Favored 'General case' 0 N--CA 1.411 -2.414 0 N-CA-C 108.837 -0.801 . . . . 15.0 108.837 179.48 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -111.76 128.67 56.17 Favored 'General case' 0 C--N 1.306 -1.302 0 C-N-CA 119.718 -0.793 . . . . 15.0 110.273 169.089 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -116.31 149.93 38.48 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 115.917 -0.583 . . . . 15.0 110.148 178.148 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 0.626 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 0.1 OUTLIER -122.38 143.38 49.69 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 115.52 -0.763 . . . . 15.0 111.514 178.88 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 440' ' ' THR . . . . . 0.623 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 19.6 p -89.77 150.9 22.07 Favored 'General case' 0 C--N 1.31 -1.145 0 N-CA-C 107.072 -1.455 . . . . 15.0 107.072 166.311 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -46.66 -27.47 1.18 Allowed 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 112.771 0.656 . . . . 15.0 112.771 -176.769 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 442' ' ' ASP . . . . . 0.584 ' OD2' ' HG3' ' A' ' 444' ' ' LYS . 6.0 p-10 -79.73 -3.26 46.69 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-O 120.867 0.365 . . . . 15.0 111.889 178.826 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.45 30.04 12.91 Favored Glycine 0 CA--C 1.501 -0.791 0 CA-C-N 116.151 -0.477 . . . . 15.0 112.798 170.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.671 ' HD2' ' CZ3' ' A' ' 457' ' ' TRP . 29.8 mtmm -78.58 109.88 13.19 Favored 'General case' 0 CA--C 1.502 -0.873 0 C-N-CA 120.926 -0.31 . . . . 15.0 110.416 171.757 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 445' ' ' THR . . . . . 0.523 HG23 ' HD2' ' A' ' 439' ' ' LYS . 23.3 m -94.4 89.43 5.87 Favored 'General case' 0 N--CA 1.436 -1.144 0 N-CA-C 109.231 -0.655 . . . . 15.0 109.231 177.572 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 446' ' ' TYR . . . . . 0.582 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 10.5 p90 -103.01 148.13 26.08 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.684 -0.689 . . . . 15.0 110.28 173.288 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 447' ' ' TYR . . . . . 0.469 ' CD2' ' HD3' ' A' ' 460' ' ' PRO . 64.0 m-85 -96.9 113.23 24.76 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.926 0.87 . . . . 15.0 112.02 -173.456 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 448' ' ' TYR . . . . . 0.861 ' HA ' ' O ' ' A' ' 454' ' ' TYR . 45.9 t80 -112.68 111.15 21.75 Favored 'General case' 0 C--O 1.213 -0.843 0 CA-C-N 114.016 -1.447 . . . . 15.0 108.563 174.818 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 1.035 ' HB3' ' CD1' ' A' ' 454' ' ' TYR . 1.5 t-20 -89.81 146.91 24.11 Favored 'General case' 0 CA--C 1.491 -1.304 0 O-C-N 121.814 -0.554 . . . . 15.0 110.784 -176.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -111.46 1.68 17.09 Favored 'General case' 0 N--CA 1.443 -0.818 0 CA-C-N 115.372 -0.831 . . . . 15.0 112.312 -161.561 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 0.444 ' NH1' ' HB3' ' A' ' 434' ' ' GLU . 36.3 ttp180 -93.88 -37.44 11.72 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.943 0.877 . . . . 15.0 109.78 171.667 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 452' ' ' THR . . . . . 0.425 ' O ' ' HG ' ' A' ' 453' ' ' LEU . 0.1 OUTLIER -127.88 -3.28 5.86 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 114.784 -1.098 . . . . 15.0 110.724 -172.347 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 453' ' ' LEU . . . . . 0.943 ' HA ' ' O ' ' A' ' 449' ' ' ASN . 0.2 OUTLIER 51.01 93.34 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 122.852 1.311 . . . . 15.0 113.895 176.463 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 454' ' ' TYR . . . . . 1.035 ' CD1' ' HB3' ' A' ' 449' ' ' ASN . 28.5 m-85 -115.81 148.25 40.1 Favored 'General case' 0 CA--C 1.511 -0.554 0 CA-C-N 112.775 -2.011 . . . . 15.0 108.555 -179.682 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 2.4 p -124.03 97.68 5.45 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-O 121.273 0.558 . . . . 15.0 109.915 166.231 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 5.0 t -127.77 123.65 35.81 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 115.773 -0.649 . . . . 15.0 110.78 -178.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.671 ' CZ3' ' HD2' ' A' ' 444' ' ' LYS . 71.5 m95 -76.97 -5.4 48.47 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.652 -0.704 . . . . 15.0 110.842 175.777 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -112.26 143.01 44.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.719 0.295 . . . . 15.0 110.369 -179.299 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 459' ' ' LYS . . . . . 0.504 ' HA ' ' HD3' ' A' ' 460' ' ' PRO . 38.0 ttmt -60.43 133.4 91.02 Favored Pre-proline 0 CA--C 1.534 0.347 0 CA-C-N 115.633 -0.712 . . . . 15.0 112.194 -173.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.504 ' HD3' ' HA ' ' A' ' 459' ' ' LYS . 19.9 Cg_exo -65.53 152.66 81.18 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 123.56 2.84 . . . . 15.0 112.266 178.016 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -72.13 -22.75 61.28 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.198 -0.456 . . . . 15.0 111.497 -177.017 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -84.86 -5.14 59.34 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.717 0.294 . . . . 15.0 111.267 177.641 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 10.7 mp -105.94 9.75 32.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.965 0.412 . . . . 15.0 110.162 175.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 30.2 mmmt . . . . . 0 C--O 1.248 0.979 0 CA-C-O 118.52 -0.753 . . . . 15.0 111.117 -178.961 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.504 0 N-CA-C 112.018 -0.433 . . . . 15.0 112.018 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -87.67 152.33 22.24 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.918 0.389 . . . . 15.0 110.81 179.329 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 27.9 m -144.95 -56.73 0.34 Allowed 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.123 -0.695 . . . . 15.0 109.123 175.024 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -117.46 -61.84 1.65 Allowed 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.997 -0.742 . . . . 15.0 108.997 171.161 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 33.7 m -77.89 132.6 32.23 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.759 0 N-CA-C 108.442 -0.947 . . . . 15.0 108.442 173.107 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 34.1 m -118.06 6.55 12.11 Favored 'General case' 0 C--N 1.309 -1.19 0 CA-C-N 116.193 -0.458 . . . . 15.0 110.704 -175.522 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 434' ' ' GLU . . . . . 0.954 ' HB2' ' HG2' ' A' ' 451' ' ' ARG . 10.8 pt-20 -77.26 -33.94 55.86 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-N 115.829 -0.623 . . . . 15.0 111.468 -179.528 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.531 ' CD1' ' HG3' ' A' ' 434' ' ' GLU . 52.2 m95 -89.61 148.92 23.07 Favored 'General case' 0 CA--C 1.506 -0.719 0 CA-C-O 120.811 0.339 . . . . 15.0 110.182 -172.054 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.573 ' HB ' ' O ' ' A' ' 448' ' ' TYR . 1.1 m -135.42 149.93 49.74 Favored 'General case' 0 N--CA 1.417 -2.12 0 C-N-CA 120.143 -0.623 . . . . 15.0 109.615 177.246 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 437' ' ' GLU . . . . . 0.531 ' HB3' ' CD1' ' A' ' 447' ' ' TYR . 0.1 OUTLIER -119.5 136.15 54.46 Favored 'General case' 0 C--N 1.308 -1.202 0 CA-C-O 121.288 0.566 . . . . 15.0 111.178 171.867 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 36.2 m-85 -128.09 150.03 50.14 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.688 -0.687 . . . . 15.0 109.981 178.569 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 0.635 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 3.8 mppt? -111.64 146.85 36.72 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.679 0.752 . . . . 15.0 111.635 175.878 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 440' ' ' THR . . . . . 0.709 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 0.8 OUTLIER -101.66 150.21 23.34 Favored 'General case' 0 C--N 1.306 -1.305 0 CA-C-N 114.012 -1.449 . . . . 15.0 107.682 165.867 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -35.79 -40.62 0.19 Allowed 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 115.549 1.685 . . . . 15.0 115.549 -167.331 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -78.92 4.36 14.4 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 118.431 0.56 . . . . 15.0 111.752 -175.754 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.48 29.68 13.59 Favored Glycine 0 N--CA 1.448 -0.558 0 CA-C-N 116.048 -0.523 . . . . 15.0 112.381 174.455 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.709 ' HB2' ' OG1' ' A' ' 440' ' ' THR . 61.1 mttp -78.61 110.47 13.76 Favored 'General case' 0 CA--C 1.505 -0.785 0 CA-C-N 115.75 -0.225 . . . . 15.0 110.469 173.427 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 17.3 m -97.27 89.43 4.75 Favored 'General case' 0 N--CA 1.436 -1.126 0 C-N-CA 119.832 -0.747 . . . . 15.0 109.686 176.709 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 446' ' ' TYR . . . . . 0.516 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 26.2 p90 -95.24 142.04 28.12 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.444 -0.798 . . . . 15.0 109.819 170.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 447' ' ' TYR . . . . . 0.531 ' CD1' ' HB3' ' A' ' 437' ' ' GLU . 97.5 m-85 -92.47 106.0 18.07 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-O 121.815 0.817 . . . . 15.0 111.682 -174.334 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 448' ' ' TYR . . . . . 0.874 ' HA ' ' O ' ' A' ' 454' ' ' TYR . 50.1 t80 -98.34 111.5 23.82 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-N 114.361 -1.29 . . . . 15.0 109.118 173.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.999 ' HB3' ' CD1' ' A' ' 454' ' ' TYR . 1.4 t-20 -89.84 147.41 23.79 Favored 'General case' 0 CA--C 1.494 -1.197 0 O-C-N 121.657 -0.652 . . . . 15.0 110.686 -178.763 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -113.35 3.75 16.04 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-N 115.538 -0.756 . . . . 15.0 112.89 -159.764 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 0.954 ' HG2' ' HB2' ' A' ' 434' ' ' GLU . 0.9 OUTLIER -98.16 -28.76 13.58 Favored 'General case' 0 CA--C 1.519 -0.246 0 C-N-CA 120.381 -0.528 . . . . 15.0 109.834 171.407 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 452' ' ' THR . . . . . 0.667 ' HB ' ' CE1' ' A' ' 454' ' ' TYR . 27.1 m -132.54 -8.84 3.24 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.282 -0.872 . . . . 15.0 110.467 -173.276 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 453' ' ' LEU . . . . . 0.893 ' HA ' ' O ' ' A' ' 449' ' ' ASN 0.271 1.8 pp 57.26 96.3 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 123.185 1.469 . . . . 15.0 113.971 175.33 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 454' ' ' TYR . . . . . 0.999 ' CD1' ' HB3' ' A' ' 449' ' ' ASN . 29.8 m-85 -120.39 145.58 47.03 Favored 'General case' 0 CA--C 1.509 -0.601 0 CA-C-N 112.651 -2.068 . . . . 15.0 109.091 -177.566 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 4.1 p -119.62 98.61 6.2 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 121.132 0.491 . . . . 15.0 109.931 165.771 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 2.7 t -123.57 124.31 42.53 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.371 0.605 . . . . 15.0 110.722 179.555 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.516 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 83.7 m95 -80.16 -0.2 35.0 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.384 -0.825 . . . . 15.0 111.229 179.359 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -117.39 144.63 44.76 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.523 -0.547 . . . . 15.0 109.523 179.522 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 459' ' ' LYS . . . . . 0.775 ' HE3' ' HB3' ' A' ' 464' ' ' LYS . 38.6 ttpt -75.85 122.52 87.17 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 116.194 -0.457 . . . . 15.0 110.512 -178.35 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.513 ' CG ' HD12 ' A' ' 463' ' ' LEU . 74.2 Cg_endo -75.73 156.22 39.75 Favored 'Trans proline' 0 C--O 1.234 0.293 0 C-N-CA 122.876 2.384 . . . . 15.0 112.225 -178.764 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 461' ' ' GLN . . . . . 0.446 ' HA ' ' CG ' ' A' ' 464' ' ' LYS . 6.6 tp-100 -58.83 -28.42 66.03 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 115.997 -0.547 . . . . 15.0 112.084 -174.222 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 462' ' ' GLU . . . . . 0.494 ' OE2' ' HB2' ' A' ' 460' ' ' PRO . 2.3 pm0 -77.86 -10.78 59.74 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 111.821 0.304 . . . . 15.0 111.821 -179.667 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.513 HD12 ' CG ' ' A' ' 460' ' ' PRO . 30.4 mt -105.49 -7.52 18.62 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.965 0.412 . . . . 15.0 111.046 178.175 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 464' ' ' LYS . . . . . 0.775 ' HB3' ' HE3' ' A' ' 459' ' ' LYS . 18.2 ptmt . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.295 -0.86 . . . . 15.0 110.872 -177.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.731 0 N-CA-C 112.009 -0.436 . . . . 15.0 112.009 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -66.12 103.83 1.04 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.096 0.474 . . . . 15.0 110.898 -178.253 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 14.8 p -128.27 137.0 51.79 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.595 -0.73 . . . . 15.0 109.976 178.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -82.83 72.22 9.91 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.417 0.627 . . . . 15.0 110.348 -178.311 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 432' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 432' ' ' VAL . 17.0 m -80.62 86.89 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 121.931 0.872 . . . . 15.0 110.523 179.337 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 3.6 m -89.97 -0.57 57.65 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-O 121.271 0.558 . . . . 15.0 110.253 -178.532 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 434' ' ' GLU . . . . . 0.538 ' HB2' ' HB3' ' A' ' 451' ' ' ARG . 8.3 pt-20 -73.77 -25.9 60.38 Favored 'General case' 0 CA--C 1.513 -0.466 0 CA-C-N 115.432 -0.803 . . . . 15.0 110.287 175.005 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.481 ' CD1' ' HG3' ' A' ' 434' ' ' GLU . 43.2 m95 -89.9 141.7 28.39 Favored 'General case' 0 CA--C 1.504 -0.792 0 CA-C-N 115.553 -0.748 . . . . 15.0 109.837 -174.299 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.685 ' HB ' ' O ' ' A' ' 448' ' ' TYR . 1.1 m -126.97 142.53 51.53 Favored 'General case' 0 N--CA 1.417 -2.083 0 C-N-CA 119.662 -0.815 . . . . 15.0 109.351 -178.337 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -113.62 129.81 56.5 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-O 121.603 0.716 . . . . 15.0 111.031 173.84 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -123.84 150.16 44.9 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.358 -0.837 . . . . 15.0 110.167 178.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 0.586 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 3.3 mppt? -122.77 148.02 45.83 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-O 121.882 0.849 . . . . 15.0 111.458 172.899 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 440' ' ' THR . . . . . 0.578 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 17.7 p -94.94 150.48 20.12 Favored 'General case' 0 C--N 1.306 -1.324 0 CA-C-N 113.845 -1.525 . . . . 15.0 107.323 166.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -38.54 -33.96 0.12 Allowed 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 114.223 1.194 . . . . 15.0 114.223 -176.281 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 442' ' ' ASP . . . . . 0.423 ' OD2' ' HG3' ' A' ' 444' ' ' LYS . 8.0 p-10 -78.24 -3.85 44.87 Favored 'General case' 0 N--CA 1.469 0.524 0 O-C-N 122.122 -0.361 . . . . 15.0 111.649 -178.167 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.38 29.9 13.34 Favored Glycine 0 CA--C 1.505 -0.582 0 CA-C-N 116.362 -0.381 . . . . 15.0 112.743 174.008 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.586 ' O ' ' HA ' ' A' ' 439' ' ' LYS . 37.0 mttm -72.5 110.57 6.98 Favored 'General case' 0 CA--C 1.504 -0.815 0 N-CA-C 109.936 -0.394 . . . . 15.0 109.936 171.383 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 18.2 m -93.78 89.21 6.07 Favored 'General case' 0 N--CA 1.434 -1.244 0 C-N-CA 119.088 -1.045 . . . . 15.0 109.017 175.458 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 446' ' ' TYR . . . . . 0.579 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 4.4 p90 -102.56 141.45 35.36 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.73 -0.668 . . . . 15.0 110.102 171.434 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 68.4 m-85 -96.36 109.81 22.26 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-O 121.63 0.728 . . . . 15.0 111.173 -175.67 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 448' ' ' TYR . . . . . 0.831 ' HA ' ' O ' ' A' ' 454' ' ' TYR . 56.2 t80 -104.95 112.57 25.75 Favored 'General case' 0 C--O 1.21 -1.019 0 CA-C-N 114.451 -1.249 . . . . 15.0 108.633 174.776 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 1.045 ' HB3' ' HD1' ' A' ' 454' ' ' TYR . 1.0 OUTLIER -89.57 147.24 24.05 Favored 'General case' 0 CA--C 1.496 -1.128 0 O-C-N 121.804 -0.56 . . . . 15.0 110.455 -178.855 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -110.13 -4.11 15.99 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.522 -0.763 . . . . 15.0 111.61 -163.316 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 0.538 ' HB3' ' HB2' ' A' ' 434' ' ' GLU . 61.0 ttt180 -88.49 -46.99 8.66 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.557 -0.747 . . . . 15.0 109.829 174.753 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -119.54 -1.75 10.62 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 114.856 -1.065 . . . . 15.0 110.824 -175.433 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 453' ' ' LEU . . . . . 0.968 ' HA ' ' O ' ' A' ' 449' ' ' ASN . 0.3 OUTLIER 49.27 98.92 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 122.846 1.308 . . . . 15.0 114.327 179.485 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 454' ' ' TYR . . . . . 1.045 ' HD1' ' HB3' ' A' ' 449' ' ' ASN . 55.4 m-85 -121.12 149.38 42.85 Favored 'General case' 0 CA--C 1.51 -0.561 0 CA-C-N 113.11 -1.859 . . . . 15.0 109.112 -179.246 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 11.2 p -122.58 95.09 4.5 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-O 121.412 0.625 . . . . 15.0 109.635 164.662 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 4.6 t -121.84 121.34 36.95 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 115.575 -0.739 . . . . 15.0 110.775 -178.334 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.579 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 60.8 m95 -81.35 -4.95 57.23 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.506 -0.77 . . . . 15.0 109.857 177.01 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -103.21 142.84 33.47 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.608 -0.723 . . . . 15.0 109.85 179.143 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 459' ' ' LYS . . . . . 0.449 ' HE3' ' O ' ' A' ' 463' ' ' LEU . 44.0 tttp -80.72 120.67 79.72 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 116.109 -0.496 . . . . 15.0 110.746 -177.219 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.669 ' HD2' HD12 ' A' ' 463' ' ' LEU . 66.0 Cg_endo -76.05 158.31 38.13 Favored 'Trans proline' 0 C--O 1.237 0.427 0 C-N-CA 122.615 2.21 . . . . 15.0 111.809 178.506 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 76.8 mm-40 -73.42 -9.51 58.77 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.366 0.506 . . . . 15.0 112.366 -170.808 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 462' ' ' GLU . . . . . 0.561 ' OE2' ' HB2' ' A' ' 460' ' ' PRO . 1.9 pm0 -86.8 -11.46 50.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.972 0.415 . . . . 15.0 110.972 174.039 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.669 HD12 ' HD2' ' A' ' 460' ' ' PRO . 60.5 mt -100.98 -1.64 33.86 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.239 -0.437 . . . . 15.0 110.123 176.023 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 61.2 tttp . . . . . 0 C--O 1.248 0.99 0 CA-C-N 115.573 -0.739 . . . . 15.0 110.459 -176.834 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.818 0 N-CA-C 112.046 -0.422 . . . . 15.0 112.046 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -111.73 149.77 31.18 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 110.343 -0.243 . . . . 15.0 110.343 179.565 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 28.2 m -74.72 -51.09 15.18 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.359 -0.382 . . . . 15.0 110.776 179.706 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -103.06 136.79 42.21 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.293 -0.412 . . . . 15.0 110.697 179.738 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 432' ' ' VAL . . . . . 0.486 ' HB ' ' HG2' ' A' ' 434' ' ' GLU . 20.0 m -88.23 144.46 9.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.221 -0.445 . . . . 15.0 110.698 179.636 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 23.3 t -112.98 3.13 16.06 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.15 0.5 . . . . 15.0 110.108 -177.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 434' ' ' GLU . . . . . 0.544 ' HG3' ' CD1' ' A' ' 435' ' ' TRP . 10.0 pt-20 -69.0 -19.63 64.13 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.713 -0.676 . . . . 15.0 112.161 -178.379 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.544 ' CD1' ' HG3' ' A' ' 434' ' ' GLU . 56.8 m95 -89.68 143.38 26.85 Favored 'General case' 0 C--N 1.311 -1.089 0 CA-C-N 116.145 -0.48 . . . . 15.0 110.505 -171.822 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.67 ' HB ' ' O ' ' A' ' 448' ' ' TYR . 1.1 m -122.56 143.81 49.5 Favored 'General case' 0 N--CA 1.413 -2.28 0 N-CA-C 109.004 -0.739 . . . . 15.0 109.004 179.191 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -112.48 132.25 55.17 Favored 'General case' 0 C--N 1.308 -1.204 0 CA-C-O 121.635 0.731 . . . . 15.0 110.971 174.866 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -128.32 150.37 50.1 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.281 -0.872 . . . . 15.0 110.359 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 0.588 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 0.0 OUTLIER -121.93 146.27 47.29 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-O 121.87 0.843 . . . . 15.0 112.181 176.775 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 440' ' ' THR . . . . . 0.639 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 16.1 p -90.37 150.83 21.71 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-N 114.081 -1.418 . . . . 15.0 107.926 164.639 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -45.14 -25.67 0.38 Allowed 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 113.538 0.94 . . . . 15.0 113.538 -178.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 442' ' ' ASP . . . . . 0.525 ' OD2' ' HG3' ' A' ' 444' ' ' LYS . 6.3 p-10 -83.83 -3.16 57.66 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-O 120.921 0.391 . . . . 15.0 111.576 179.652 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.66 30.01 12.54 Favored Glycine 0 CA--C 1.504 -0.654 0 CA-C-N 116.108 -0.496 . . . . 15.0 112.92 172.485 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.639 ' HB2' ' OG1' ' A' ' 440' ' ' THR . 57.6 mttp -77.42 107.12 9.62 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.971 -0.381 . . . . 15.0 109.971 170.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 23.8 m -92.03 89.25 6.89 Favored 'General case' 0 N--CA 1.439 -1.009 0 C-N-CA 119.479 -0.888 . . . . 15.0 109.116 174.583 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 446' ' ' TYR . . . . . 0.529 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 21.7 p90 -99.8 146.0 27.08 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.465 -0.789 . . . . 15.0 109.776 172.131 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 -96.31 105.08 17.09 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.821 0.819 . . . . 15.0 111.715 -176.186 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 448' ' ' TYR . . . . . 0.891 ' HA ' ' O ' ' A' ' 454' ' ' TYR . 50.5 t80 -96.73 108.18 20.78 Favored 'General case' 0 N--CA 1.44 -0.93 0 CA-C-N 114.203 -1.362 . . . . 15.0 109.015 173.801 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 1.009 ' HB3' ' CD1' ' A' ' 454' ' ' TYR . 2.8 t-20 -90.01 146.57 24.26 Favored 'General case' 0 CA--C 1.491 -1.308 0 O-C-N 121.955 -0.466 . . . . 15.0 110.48 -177.843 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -110.65 4.94 20.59 Favored 'General case' 0 N--CA 1.445 -0.725 0 O-C-N 124.085 0.866 . . . . 15.0 113.208 -156.557 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 0.445 ' HD3' ' OE1' ' A' ' 434' ' ' GLU . 2.3 ptm180 -104.8 -24.29 12.92 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.196 0.522 . . . . 15.0 110.276 171.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 452' ' ' THR . . . . . 0.769 ' HB ' ' CE1' ' A' ' 454' ' ' TYR . 11.8 m -129.2 -14.16 4.36 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.666 -0.697 . . . . 15.0 110.41 -176.395 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 453' ' ' LEU . . . . . 0.869 ' HA ' ' O ' ' A' ' 449' ' ' ASN 0.303 2.8 pp 58.49 88.59 0.06 Allowed 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 123.465 1.602 . . . . 15.0 113.319 177.576 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 454' ' ' TYR . . . . . 1.009 ' CD1' ' HB3' ' A' ' 449' ' ' ASN . 27.9 m-85 -109.8 142.7 40.69 Favored 'General case' 0 CA--C 1.511 -0.545 0 CA-C-N 112.139 -2.3 . . . . 15.0 109.085 -179.133 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 5.1 p -117.59 97.89 6.11 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.76 -0.459 . . . . 15.0 109.76 165.487 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 5.1 t -125.65 125.14 42.62 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.433 0.635 . . . . 15.0 110.849 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.549 ' CZ3' ' HD3' ' A' ' 444' ' ' LYS . 30.1 m95 -81.01 -2.84 49.6 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.278 -0.874 . . . . 15.0 110.718 177.449 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -112.75 140.22 47.72 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 108.788 -0.819 . . . . 15.0 108.788 176.323 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -68.56 125.6 91.89 Favored Pre-proline 0 C--N 1.324 -0.538 0 N-CA-C 110.049 -0.352 . . . . 15.0 110.049 -179.061 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.633 ' HG2' ' HB2' ' A' ' 463' ' ' LEU . 11.0 Cg_endo -55.89 143.99 79.61 Favored 'Trans proline' 0 C--O 1.234 0.288 0 C-N-CA 123.028 2.485 . . . . 15.0 112.43 177.725 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 25.7 tp60 -65.32 -22.13 66.79 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.983 -0.553 . . . . 15.0 111.107 -177.502 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -91.15 0.13 57.59 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.317 -0.402 . . . . 15.0 111.469 179.062 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.633 ' HB2' ' HG2' ' A' ' 460' ' ' PRO . 12.1 tp -114.29 -10.71 12.67 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.907 0.384 . . . . 15.0 110.779 179.816 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt . . . . . 0 C--O 1.247 0.943 0 CA-C-O 118.379 -0.819 . . . . 15.0 110.37 -179.958 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.565 0 N-CA-C 111.951 -0.46 . . . . 15.0 111.951 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -99.88 139.18 35.92 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.693 0.283 . . . . 15.0 110.361 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 5.0 m -77.86 88.72 4.06 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.069 0.462 . . . . 15.0 110.621 179.675 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -112.07 126.97 55.75 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.985 -0.552 . . . . 15.0 110.098 178.805 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 29.3 m -83.1 136.7 22.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 120.977 0.417 . . . . 15.0 110.426 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 21.4 m -110.09 2.41 19.49 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.239 -0.437 . . . . 15.0 110.824 179.348 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 434' ' ' GLU . . . . . 0.489 ' OE1' ' HD3' ' A' ' 451' ' ' ARG . 11.5 pt-20 -77.84 -27.95 50.01 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-O 121.088 0.47 . . . . 15.0 110.911 178.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.59 ' HA ' ' HB2' ' A' ' 449' ' ' ASN . 52.3 m95 -89.67 138.02 31.83 Favored 'General case' 0 CA--C 1.502 -0.877 0 N-CA-C 108.744 -0.836 . . . . 15.0 108.744 -176.615 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.621 ' HB ' ' O ' ' A' ' 448' ' ' TYR . 1.1 m -121.12 113.79 20.52 Favored 'General case' 0 N--CA 1.417 -2.078 0 C-N-CA 118.897 -1.121 . . . . 15.0 110.198 -174.532 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.98 128.98 36.36 Favored 'General case' 0 C--N 1.312 -1.064 0 C-N-CA 118.876 -1.129 . . . . 15.0 111.275 -176.609 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -118.95 150.18 40.36 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.176 -0.92 . . . . 15.0 110.137 179.394 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 0.61 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 2.4 mppt? -121.91 147.83 45.52 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.734 0.778 . . . . 15.0 111.489 176.51 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 440' ' ' THR . . . . . 0.471 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 81.2 p -90.03 150.91 21.9 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-N 114.149 -1.387 . . . . 15.0 107.661 167.384 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -46.94 -24.27 0.58 Allowed 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 112.85 0.685 . . . . 15.0 112.85 177.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 442' ' ' ASP . . . . . 0.42 ' OD2' ' HG3' ' A' ' 444' ' ' LYS . 6.5 p-10 -89.9 -0.56 57.64 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-O 121.062 0.458 . . . . 15.0 111.443 178.068 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.88 29.85 12.35 Favored Glycine 0 CA--C 1.504 -0.618 0 CA-C-N 116.09 -0.504 . . . . 15.0 112.937 170.26 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.61 ' O ' ' HA ' ' A' ' 439' ' ' LYS . 59.7 mttp -73.93 107.95 6.46 Favored 'General case' 0 CA--C 1.503 -0.854 0 N-CA-C 109.68 -0.489 . . . . 15.0 109.68 169.58 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 23.5 m -93.77 89.35 6.13 Favored 'General case' 0 N--CA 1.437 -1.118 0 C-N-CA 119.479 -0.888 . . . . 15.0 109.033 175.091 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 446' ' ' TYR . . . . . 0.589 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 7.2 p90 -102.85 145.52 29.67 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.237 -0.892 . . . . 15.0 110.066 172.497 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -98.57 117.79 33.8 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.473 0.654 . . . . 15.0 111.929 -174.255 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 448' ' ' TYR . . . . . 0.902 ' HA ' ' O ' ' A' ' 454' ' ' TYR . 54.7 t80 -115.16 106.51 14.16 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.663 -1.153 . . . . 15.0 109.261 174.655 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 1.025 ' HB3' ' CD1' ' A' ' 454' ' ' TYR . 1.5 t-20 -89.66 147.38 23.92 Favored 'General case' 0 CA--C 1.492 -1.275 0 O-C-N 122.298 -0.251 . . . . 15.0 110.535 -173.556 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -109.92 3.8 20.91 Favored 'General case' 0 N--CA 1.447 -0.6 0 N-CA-C 113.337 0.866 . . . . 15.0 113.337 -158.594 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 0.489 ' HD3' ' OE1' ' A' ' 434' ' ' GLU . 8.0 ptm180 -103.45 -27.46 12.38 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.382 0.611 . . . . 15.0 110.265 172.164 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 452' ' ' THR . . . . . 0.787 ' HB ' ' CE1' ' A' ' 454' ' ' TYR . 13.3 m -127.58 -8.93 5.66 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.504 -0.771 . . . . 15.0 110.352 -176.809 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 453' ' ' LEU . . . . . 0.904 ' HA ' ' O ' ' A' ' 449' ' ' ASN 0.262 0.3 OUTLIER 53.6 89.16 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 122.92 1.343 . . . . 15.0 113.372 176.602 . . . . . . . . 4 4 . 1 . 015 nuclear build full ' A' A ' 454' ' ' TYR . . . . . 1.025 ' CD1' ' HB3' ' A' ' 449' ' ' ASN . 29.6 m-85 -110.5 147.07 34.86 Favored 'General case' 0 CA--C 1.508 -0.645 0 CA-C-N 112.436 -2.165 . . . . 15.0 108.769 -179.451 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 3.7 p -125.56 103.18 7.73 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 109.637 -0.505 . . . . 15.0 109.637 165.481 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 8.7 t -136.86 127.15 26.44 Favored 'General case' 0 N--CA 1.441 -0.89 0 CA-C-O 121.669 0.747 . . . . 15.0 111.557 -179.45 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.589 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 24.1 m95 -77.75 -0.37 26.73 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.962 -1.017 . . . . 15.0 110.355 173.169 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -104.0 124.84 49.75 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.227 -0.442 . . . . 15.0 110.029 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 459' ' ' LYS . . . . . 1.105 ' HD3' ' HA ' ' A' ' 464' ' ' LYS . 8.6 ttmm -63.31 116.93 29.05 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 115.896 -0.593 . . . . 15.0 110.505 179.546 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.845 ' HG2' ' HB2' ' A' ' 463' ' ' LEU . 30.7 Cg_endo -65.26 158.53 51.83 Favored 'Trans proline' 0 CA--C 1.528 0.224 0 C-N-CA 122.818 2.345 . . . . 15.0 112.132 178.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -65.63 -30.47 71.18 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.995 -0.548 . . . . 15.0 111.727 -173.12 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 462' ' ' GLU . . . . . 0.483 ' OE2' ' HB2' ' A' ' 460' ' ' PRO . 1.5 pm0 -85.58 0.29 52.96 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.947 0.403 . . . . 15.0 110.745 179.819 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.845 ' HB2' ' HG2' ' A' ' 460' ' ' PRO . 0.5 OUTLIER -123.89 8.74 8.74 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.148 -0.478 . . . . 15.0 109.744 179.868 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 464' ' ' LYS . . . . . 1.105 ' HA ' ' HD3' ' A' ' 459' ' ' LYS . 62.8 tttp . . . . . 0 C--O 1.251 1.18 0 CA-C-O 118.457 -0.782 . . . . 15.0 110.856 -175.772 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.787 0 N-CA-C 112.21 -0.356 . . . . 15.0 112.21 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -159.32 170.25 22.24 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.887 -0.412 . . . . 15.0 109.887 -178.493 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 27.6 m -55.69 114.01 1.7 Allowed 'General case' 0 C--N 1.321 -0.647 0 O-C-N 123.672 0.607 . . . . 15.0 110.863 178.284 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . 64.84 84.82 0.15 Allowed 'General case' 0 N--CA 1.463 0.219 0 O-C-N 123.769 0.668 . . . . 15.0 111.481 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 18.4 m -88.49 140.86 15.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 121.338 0.59 . . . . 15.0 110.931 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 8.0 t -138.12 12.15 2.84 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.782 -0.645 . . . . 15.0 109.409 179.006 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 434' ' ' GLU . . . . . 0.712 ' HB2' ' HG2' ' A' ' 451' ' ' ARG . 8.6 pt-20 -73.93 -23.92 59.6 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-N 115.873 -0.603 . . . . 15.0 111.729 -176.425 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.46 ' CD1' ' HG3' ' A' ' 434' ' ' GLU . 34.0 m95 -89.81 133.31 34.79 Favored 'General case' 0 CA--C 1.5 -0.953 0 CA-C-N 116.096 -0.502 . . . . 15.0 109.705 -174.323 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.747 ' HB ' ' O ' ' A' ' 448' ' ' TYR . 1.1 m -114.17 138.09 50.9 Favored 'General case' 0 N--CA 1.413 -2.304 0 N-CA-C 108.525 -0.917 . . . . 15.0 108.525 -176.51 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -112.0 130.28 55.91 Favored 'General case' 0 C--N 1.305 -1.343 0 CA-C-O 121.748 0.785 . . . . 15.0 110.565 176.654 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -128.71 150.14 50.39 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 114.917 -1.038 . . . . 15.0 109.93 -177.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 0.527 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 8.6 mptt -113.94 144.51 42.95 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-O 122.159 0.98 . . . . 15.0 112.18 173.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 440' ' ' THR . . . . . 0.623 HG23 ' CE1' ' A' ' 446' ' ' TYR . 10.5 p -90.31 150.69 21.81 Favored 'General case' 0 C--N 1.306 -1.308 0 CA-C-N 113.543 -1.662 . . . . 15.0 107.864 169.08 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -51.42 -22.87 3.29 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.785 0.661 . . . . 15.0 112.785 -177.043 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -86.11 -0.32 55.35 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-O 120.767 0.318 . . . . 15.0 111.269 179.204 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.45 30.33 12.31 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 121.284 -0.484 . . . . 15.0 112.889 169.492 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.61 ' HB2' ' OG1' ' A' ' 440' ' ' THR . 45.0 mmtm -82.82 127.76 33.78 Favored 'General case' 0 CA--C 1.494 -1.187 0 N-CA-C 109.839 -0.43 . . . . 15.0 109.839 169.861 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 445' ' ' THR . . . . . 0.49 HG23 ' HE3' ' A' ' 439' ' ' LYS . 21.9 m -94.38 89.23 5.8 Favored 'General case' 0 N--CA 1.429 -1.52 0 C-N-CA 118.474 -1.29 . . . . 15.0 107.867 166.787 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 446' ' ' TYR . . . . . 0.623 ' CE1' HG23 ' A' ' 440' ' ' THR . 5.1 p90 -96.07 144.19 26.55 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.757 -0.656 . . . . 15.0 110.377 170.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -100.95 116.89 33.87 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-O 121.545 0.688 . . . . 15.0 111.39 -175.66 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 448' ' ' TYR . . . . . 0.852 ' HA ' ' O ' ' A' ' 454' ' ' TYR . 80.3 t80 -113.79 110.58 20.38 Favored 'General case' 0 C--O 1.211 -0.932 0 CA-C-N 114.609 -1.178 . . . . 15.0 109.05 174.746 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 1.097 ' HB3' ' HD1' ' A' ' 454' ' ' TYR . 2.5 t-20 -89.86 149.53 22.61 Favored 'General case' 0 CA--C 1.493 -1.245 0 O-C-N 121.811 -0.556 . . . . 15.0 110.165 -178.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -114.62 1.03 14.12 Favored 'General case' 0 N--CA 1.439 -0.994 0 CA-C-N 115.352 -0.84 . . . . 15.0 113.25 -157.603 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 0.712 ' HG2' ' HB2' ' A' ' 434' ' ' GLU . 2.3 ptm180 -107.7 -28.54 9.65 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.371 -0.532 . . . . 15.0 110.704 173.535 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 452' ' ' THR . . . . . 0.642 ' HB ' ' CE1' ' A' ' 454' ' ' TYR . 4.7 m -122.83 -6.73 8.49 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.981 -0.554 . . . . 15.0 109.554 179.571 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 453' ' ' LEU . . . . . 0.972 ' HA ' ' O ' ' A' ' 449' ' ' ASN . 0.3 OUTLIER 50.62 102.45 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 122.844 1.307 . . . . 15.0 114.284 176.655 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 454' ' ' TYR . . . . . 1.097 ' HD1' ' HB3' ' A' ' 449' ' ' ASN . 26.2 m-85 -124.7 145.44 49.68 Favored 'General case' 0 C--O 1.22 -0.463 0 CA-C-N 112.821 -1.99 . . . . 15.0 108.411 -178.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 4.4 p -124.71 96.87 5.05 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-O 121.492 0.663 . . . . 15.0 110.072 167.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 4.2 t -128.86 120.24 25.88 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.707 -0.679 . . . . 15.0 111.309 -177.355 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.53 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 20.8 m95 -74.41 -9.47 58.62 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.768 -0.651 . . . . 15.0 110.142 174.671 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -101.42 133.04 46.66 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.502 -0.772 . . . . 15.0 110.032 -177.666 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 459' ' ' LYS . . . . . 0.624 ' HD3' ' HA ' ' A' ' 464' ' ' LYS . 23.2 ttmm -67.69 121.08 77.85 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 116.044 -0.525 . . . . 15.0 111.125 -178.231 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.486 ' HB2' ' OE2' ' A' ' 462' ' ' GLU . 96.1 Cg_endo -78.0 172.83 14.91 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 123.216 2.611 . . . . 15.0 112.97 -178.194 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -66.09 -21.55 66.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.403 -0.817 . . . . 15.0 113.168 -170.069 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 462' ' ' GLU . . . . . 0.486 ' OE2' ' HB2' ' A' ' 460' ' ' PRO . 1.9 pm0 -99.93 2.53 43.75 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 122.269 -0.27 . . . . 15.0 111.659 -178.638 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 70.5 mt -117.49 1.36 12.31 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.917 0.389 . . . . 15.0 110.679 176.703 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 464' ' ' LYS . . . . . 0.624 ' HA ' ' HD3' ' A' ' 459' ' ' LYS . 2.6 ptmm? . . . . . 0 C--O 1.248 0.976 0 CA-C-O 118.338 -0.839 . . . . 15.0 110.646 179.558 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.709 0 N-CA-C 112.502 -0.239 . . . . 15.0 112.502 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 429' ' ' ALA . . . . . 0.406 ' HB3' ' HA ' ' A' ' 462' ' ' GLU . . . -93.98 97.04 10.08 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.703 -0.48 . . . . 15.0 109.703 177.818 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 26.6 m 74.5 144.43 0.08 Allowed 'General case' 0 N--CA 1.466 0.366 0 O-C-N 123.808 0.693 . . . . 15.0 110.2 -175.32 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -76.28 78.93 3.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.211 0.529 . . . . 15.0 110.49 -179.734 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 432' ' ' VAL . . . . . 0.484 ' HB ' ' HG2' ' A' ' 434' ' ' GLU . 30.9 m -84.48 143.86 10.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.712 -0.677 . . . . 15.0 111.233 -178.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 19.1 t -119.88 -2.98 10.24 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.466 0.65 . . . . 15.0 109.348 177.506 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 434' ' ' GLU . . . . . 0.588 ' HB2' ' HG2' ' A' ' 451' ' ' ARG . 6.4 pt-20 -64.7 -33.81 76.83 Favored 'General case' 0 CA--C 1.511 -0.522 0 CA-C-N 115.168 -0.924 . . . . 15.0 110.704 177.385 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.514 ' HA ' ' HB2' ' A' ' 449' ' ' ASN . 43.4 m95 -89.51 141.45 28.56 Favored 'General case' 0 CA--C 1.501 -0.918 0 CA-C-N 115.785 -0.643 . . . . 15.0 109.476 -175.386 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.682 ' HB ' ' O ' ' A' ' 448' ' ' TYR . 1.1 m -124.99 142.42 51.5 Favored 'General case' 0 N--CA 1.414 -2.249 0 C-N-CA 119.643 -0.823 . . . . 15.0 109.108 -178.315 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -110.34 131.22 55.24 Favored 'General case' 0 C--N 1.308 -1.199 0 C-N-CA 119.62 -0.832 . . . . 15.0 110.437 172.693 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -127.48 150.28 49.73 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.498 -0.774 . . . . 15.0 110.267 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 0.55 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 0.0 OUTLIER -121.0 142.1 50.11 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-O 121.784 0.802 . . . . 15.0 111.532 175.813 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 440' ' ' THR . . . . . 0.695 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 6.0 p -90.17 150.89 21.82 Favored 'General case' 0 C--N 1.308 -1.228 0 CA-C-N 114.086 -1.415 . . . . 15.0 107.452 166.866 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -45.42 -24.9 0.35 Allowed 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 113.95 1.093 . . . . 15.0 113.95 -174.757 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 442' ' ' ASP . . . . . 0.458 ' OD2' ' HG3' ' A' ' 444' ' ' LYS . 8.0 p-10 -83.8 -2.51 56.51 Favored 'General case' 0 CA--C 1.534 0.336 0 O-C-N 121.938 -0.476 . . . . 15.0 111.303 179.829 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.28 29.77 13.86 Favored Glycine 0 CA--C 1.505 -0.566 0 CA-C-N 116.074 -0.512 . . . . 15.0 112.597 172.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.695 ' HB2' ' OG1' ' A' ' 440' ' ' THR . 95.0 mttt -76.86 106.53 8.59 Favored 'General case' 0 CA--C 1.503 -0.84 0 N-CA-C 110.054 -0.35 . . . . 15.0 110.054 172.096 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 17.9 m -90.68 89.23 7.43 Favored 'General case' 0 N--CA 1.434 -1.243 0 C-N-CA 119.6 -0.84 . . . . 15.0 109.055 175.05 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 446' ' ' TYR . . . . . 0.561 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 24.7 p90 -104.06 150.02 24.67 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 115.419 -0.81 . . . . 15.0 109.84 172.356 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -101.71 104.77 15.6 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-O 121.804 0.811 . . . . 15.0 111.637 -173.267 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 448' ' ' TYR . . . . . 0.856 ' HA ' ' O ' ' A' ' 454' ' ' TYR . 53.6 t80 -101.07 111.13 23.26 Favored 'General case' 0 C--O 1.215 -0.756 0 CA-C-N 114.245 -1.343 . . . . 15.0 108.966 175.832 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 1.055 ' HB3' ' HD1' ' A' ' 454' ' ' TYR . 1.3 t-20 -89.6 148.09 23.55 Favored 'General case' 0 CA--C 1.49 -1.341 0 O-C-N 122.108 -0.37 . . . . 15.0 110.599 -177.775 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -112.23 4.44 17.8 Favored 'General case' 0 N--CA 1.447 -0.6 0 O-C-N 123.92 0.762 . . . . 15.0 113.018 -158.66 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 0.588 ' HG2' ' HB2' ' A' ' 434' ' ' GLU . 3.5 ptt180 -100.01 -32.55 10.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.354 0.597 . . . . 15.0 109.621 171.149 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 452' ' ' THR . . . . . 0.73 ' HB ' ' CE1' ' A' ' 454' ' ' TYR . 10.6 m -123.53 -11.46 7.82 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.218 -0.901 . . . . 15.0 110.38 -174.83 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 453' ' ' LEU . . . . . 0.935 ' HA ' ' O ' ' A' ' 449' ' ' ASN . 0.4 OUTLIER 54.38 86.63 0.05 OUTLIER 'General case' 0 CA--C 1.518 -0.257 0 CA-C-O 122.865 1.317 . . . . 15.0 113.085 179.764 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 454' ' ' TYR . . . . . 1.055 ' HD1' ' HB3' ' A' ' 449' ' ' ASN . 39.5 m-85 -104.73 142.74 34.16 Favored 'General case' 0 CA--C 1.505 -0.779 0 CA-C-N 112.813 -1.994 . . . . 15.0 108.842 179.046 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 3.5 p -118.98 96.86 5.42 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-O 121.123 0.487 . . . . 15.0 109.704 169.333 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 3.4 t -128.42 122.07 30.49 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.464 0.65 . . . . 15.0 110.554 178.743 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.615 ' CZ3' ' HD3' ' A' ' 444' ' ' LYS . 76.1 m95 -79.94 -5.63 55.99 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.214 -0.903 . . . . 15.0 111.208 -178.577 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -117.12 141.57 48.1 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.856 -0.424 . . . . 15.0 109.856 179.279 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 459' ' ' LYS . . . . . 0.74 ' HE3' ' HA ' ' A' ' 464' ' ' LYS . 38.4 ttpt -65.78 123.04 83.72 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 115.65 -0.705 . . . . 15.0 111.299 -174.332 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.566 ' HB2' ' OE1' ' A' ' 462' ' ' GLU . 87.4 Cg_endo -77.86 167.76 23.27 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 123.17 2.58 . . . . 15.0 112.596 -178.032 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 27.7 mp0 -61.3 -26.46 67.8 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.169 -0.923 . . . . 15.0 112.868 -171.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 462' ' ' GLU . . . . . 0.566 ' OE1' ' HB2' ' A' ' 460' ' ' PRO . 1.6 pm0 -83.25 -13.68 54.78 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.757 0.313 . . . . 15.0 111.783 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.526 ' O ' ' HD2' ' A' ' 459' ' ' LYS . 43.8 mt -110.12 1.42 18.8 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.647 -0.252 . . . . 15.0 110.917 -178.753 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 464' ' ' LYS . . . . . 0.74 ' HA ' ' HE3' ' A' ' 459' ' ' LYS . 12.7 mmmm . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.221 -0.895 . . . . 15.0 111.303 -178.356 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.675 0 N-CA-C 111.953 -0.459 . . . . 15.0 111.953 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -111.32 109.86 20.06 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.72 0.295 . . . . 15.0 110.408 179.442 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 23.7 p -93.19 106.14 18.14 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.989 0.423 . . . . 15.0 111.24 -178.486 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -82.28 96.03 7.77 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.064 -0.516 . . . . 15.0 109.888 176.64 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 432' ' ' VAL . . . . . 0.645 ' HB ' ' HG2' ' A' ' 434' ' ' GLU . 16.9 m -88.04 144.24 9.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 121.209 0.528 . . . . 15.0 111.236 -177.805 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 19.8 t -110.31 2.04 18.88 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.758 -0.655 . . . . 15.0 109.726 -178.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 434' ' ' GLU . . . . . 0.645 ' HG2' ' HB ' ' A' ' 432' ' ' VAL . 7.9 pt-20 -65.57 -18.4 65.3 Favored 'General case' 0 CA--C 1.51 -0.591 0 CA-C-N 115.901 -0.59 . . . . 15.0 111.246 178.222 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.496 ' HA ' ' HB2' ' A' ' 449' ' ' ASN . 29.1 m95 -89.62 135.68 33.47 Favored 'General case' 0 N--CA 1.438 -1.068 0 CA-C-N 115.613 -0.721 . . . . 15.0 109.521 -174.656 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.752 ' HB ' ' O ' ' A' ' 448' ' ' TYR . 1.1 m -115.57 145.5 42.6 Favored 'General case' 0 N--CA 1.415 -2.207 0 N-CA-C 108.238 -1.023 . . . . 15.0 108.238 -173.116 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -115.16 150.82 35.45 Favored 'General case' 0 C--N 1.302 -1.5 0 C-N-CA 119.15 -1.02 . . . . 15.0 113.236 173.227 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -149.57 149.99 31.56 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-N 113.65 -1.614 . . . . 15.0 109.35 -173.454 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 0.533 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 0.0 OUTLIER -117.17 144.76 44.39 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-O 121.917 0.865 . . . . 15.0 111.727 175.013 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 440' ' ' THR . . . . . 0.624 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 1.3 p -99.31 150.33 22.23 Favored 'General case' 0 C--N 1.304 -1.391 0 CA-C-N 113.901 -1.499 . . . . 15.0 108.019 168.239 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -60.48 -7.99 2.47 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 113.104 0.779 . . . . 15.0 113.104 -171.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -88.72 -2.02 58.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.073 0.463 . . . . 15.0 110.272 176.415 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.45 29.88 13.25 Favored Glycine 0 N--CA 1.449 -0.498 0 CA-C-N 115.895 -0.593 . . . . 15.0 112.665 173.05 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.738 ' HE2' ' HA ' ' A' ' 444' ' ' LYS . 9.7 mmpt? -85.39 130.4 34.6 Favored 'General case' 0 CA--C 1.497 -1.067 0 N-CA-C 110.103 -0.332 . . . . 15.0 110.103 169.545 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 58.8 m -102.5 89.14 3.44 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 107.563 -1.273 . . . . 15.0 107.563 163.639 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 446' ' ' TYR . . . . . 0.494 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 13.7 p90 -94.72 148.17 22.55 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.391 -0.822 . . . . 15.0 110.361 175.075 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -99.71 116.15 31.14 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.469 0.652 . . . . 15.0 110.908 -175.188 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 448' ' ' TYR . . . . . 0.893 ' HA ' ' O ' ' A' ' 454' ' ' TYR . 49.8 t80 -117.51 110.99 18.65 Favored 'General case' 0 C--O 1.206 -1.197 0 CA-C-N 114.674 -1.148 . . . . 15.0 108.879 178.342 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 1.032 ' HB3' ' CD1' ' A' ' 454' ' ' TYR . 2.5 t-20 -89.71 147.97 23.55 Favored 'General case' 0 C--O 1.206 -1.228 0 O-C-N 121.966 -0.459 . . . . 15.0 110.878 -176.191 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -107.63 -5.68 17.34 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 113.505 0.928 . . . . 15.0 113.505 -158.758 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 0.416 ' HG2' ' HB2' ' A' ' 434' ' ' GLU . 7.8 ptm180 -99.13 -20.78 16.48 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.092 -0.643 . . . . 15.0 110.613 176.252 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 452' ' ' THR . . . . . 0.764 ' HB ' ' CE1' ' A' ' 454' ' ' TYR . 4.4 m -132.36 -10.9 3.24 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.604 -0.725 . . . . 15.0 110.258 -178.185 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 453' ' ' LEU . . . . . 0.897 ' HA ' ' O ' ' A' ' 449' ' ' ASN 0.264 1.4 pp 54.96 92.63 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 123.269 1.509 . . . . 15.0 113.666 176.146 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 454' ' ' TYR . . . . . 1.032 ' CD1' ' HB3' ' A' ' 449' ' ' ASN . 31.6 m-85 -114.43 136.65 52.77 Favored 'General case' 0 CA--C 1.504 -0.802 0 CA-C-N 112.354 -2.203 . . . . 15.0 108.942 -177.882 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 3.8 p -111.36 101.28 9.75 Favored 'General case' 0 C--N 1.315 -0.921 0 N-CA-C 109.734 -0.469 . . . . 15.0 109.734 167.577 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 7.4 t -135.41 124.81 24.83 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.739 0.781 . . . . 15.0 111.061 178.445 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.494 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 27.1 m95 -77.75 -7.14 56.13 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.892 -1.049 . . . . 15.0 110.984 178.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -102.62 138.22 39.82 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.185 -0.461 . . . . 15.0 109.916 178.818 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 459' ' ' LYS . . . . . 0.867 ' HD3' ' HA ' ' A' ' 464' ' ' LYS . 66.9 tttt -70.97 121.24 83.5 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 115.909 -0.587 . . . . 15.0 110.386 -177.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.478 ' HG2' ' HB2' ' A' ' 463' ' ' LEU . 11.1 Cg_endo -53.59 143.25 57.53 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 123.138 2.559 . . . . 15.0 111.317 177.103 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 54.6 tp60 -65.91 -21.1 66.42 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.044 0.45 . . . . 15.0 111.159 -173.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 462' ' ' GLU . . . . . 0.477 ' H ' ' CD ' ' A' ' 462' ' ' GLU . 2.2 pm0 -77.43 -12.52 59.97 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.359 -0.382 . . . . 15.0 111.08 176.786 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.478 ' HB2' ' HG2' ' A' ' 460' ' ' PRO . 10.1 mp -115.04 -25.43 8.13 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.28 -0.418 . . . . 15.0 111.255 178.05 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 464' ' ' LYS . . . . . 0.867 ' HA ' ' HD3' ' A' ' 459' ' ' LYS . 24.1 ttmm . . . . . 0 C--O 1.252 1.212 0 CA-C-O 117.993 -1.003 . . . . 15.0 111.82 -171.376 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.584 0 N-CA-C 111.672 -0.571 . . . . 15.0 111.672 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -99.26 161.29 13.71 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.879 -0.415 . . . . 15.0 109.879 176.597 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 40.1 p 51.39 101.34 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.596 0 O-C-N 124.1 0.875 . . . . 15.0 112.566 -178.447 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -70.22 -27.94 64.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.957 -0.565 . . . . 15.0 111.014 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 12.9 m 49.29 -178.92 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 124.939 1.296 . . . . 15.0 113.552 178.058 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 18.4 t -136.14 -4.09 2.18 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.676 -0.693 . . . . 15.0 110.007 176.259 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 434' ' ' GLU . . . . . 0.463 ' HG3' ' CD1' ' A' ' 435' ' ' TRP . 9.1 pt-20 -67.02 -29.68 69.56 Favored 'General case' 0 CA--C 1.512 -0.492 0 CA-C-N 116.02 -0.536 . . . . 15.0 111.217 -178.465 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.463 ' CD1' ' HG3' ' A' ' 434' ' ' GLU . 42.6 m95 -89.61 138.1 31.76 Favored 'General case' 0 CA--C 1.502 -0.904 0 CA-C-N 116.243 -0.435 . . . . 15.0 109.926 -174.732 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.728 ' HB ' ' O ' ' A' ' 448' ' ' TYR . 1.1 m -122.85 137.05 55.04 Favored 'General case' 0 N--CA 1.414 -2.273 0 N-CA-C 108.752 -0.832 . . . . 15.0 108.752 -177.152 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 437' ' ' GLU . . . . . 0.403 ' O ' ' HG2' ' A' ' 437' ' ' GLU . 1.1 pm0 -109.99 130.49 55.52 Favored 'General case' 0 C--N 1.307 -1.268 0 C-N-CA 119.757 -0.777 . . . . 15.0 110.399 174.642 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -123.03 150.22 43.35 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.217 -0.901 . . . . 15.0 109.936 178.396 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 0.651 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 37.3 ttpt -128.53 133.69 48.47 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-N 115.448 -0.796 . . . . 15.0 110.363 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 440' ' ' THR . . . . . 0.689 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 9.6 p -89.93 145.92 24.77 Favored 'General case' 0 N--CA 1.436 -1.161 0 N-CA-C 104.888 -2.264 . . . . 15.0 104.888 165.904 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -65.77 -2.31 3.6 Favored 'General case' 0 C--N 1.308 -1.229 0 N-CA-C 113.121 0.786 . . . . 15.0 113.121 -165.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -84.91 0.99 49.24 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.525 0.679 . . . . 15.0 109.317 171.069 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.71 30.23 12.03 Favored Glycine 0 N--CA 1.443 -0.85 0 CA-C-N 114.976 -1.011 . . . . 15.0 112.997 171.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.689 ' HB2' ' OG1' ' A' ' 440' ' ' THR . 46.7 mttm -86.72 100.41 12.46 Favored 'General case' 0 C--N 1.315 -0.896 0 N-CA-C 109.95 -0.389 . . . . 15.0 109.95 171.68 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 17.3 m -91.95 89.28 6.93 Favored 'General case' 0 N--CA 1.439 -0.992 0 C-N-CA 119.322 -0.951 . . . . 15.0 108.908 172.231 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 446' ' ' TYR . . . . . 0.474 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 11.1 p90 -96.11 141.36 29.59 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.004 -0.998 . . . . 15.0 109.832 173.233 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 -96.92 109.43 22.16 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-O 121.799 0.809 . . . . 15.0 111.54 -173.584 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 448' ' ' TYR . . . . . 0.787 ' HA ' ' O ' ' A' ' 454' ' ' TYR . 43.3 t80 -107.48 112.17 24.81 Favored 'General case' 0 C--O 1.212 -0.915 0 CA-C-N 114.308 -1.315 . . . . 15.0 108.563 175.651 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 1.093 ' HB3' ' HD1' ' A' ' 454' ' ' TYR . 1.3 t-20 -89.92 145.72 24.92 Favored 'General case' 0 C--N 1.311 -1.086 0 O-C-N 121.813 -0.554 . . . . 15.0 110.583 -178.58 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -108.09 1.69 22.5 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 114.974 -1.012 . . . . 15.0 111.468 -163.253 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 73.1 ttt180 -94.11 -64.31 1.09 Allowed 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.346 -0.843 . . . . 15.0 109.234 174.349 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 452' ' ' THR . . . . . 0.402 ' C ' ' HG ' ' A' ' 453' ' ' LEU . 0.0 OUTLIER -98.47 -3.9 35.65 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 114.597 -1.183 . . . . 15.0 110.697 -177.56 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 453' ' ' LEU . . . . . 0.97 ' HA ' ' O ' ' A' ' 449' ' ' ASN 0.258 2.3 pp 49.46 98.82 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 123.283 1.516 . . . . 15.0 114.239 179.866 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 454' ' ' TYR . . . . . 1.093 ' HD1' ' HB3' ' A' ' 449' ' ' ASN . 34.7 m-85 -120.27 150.14 41.18 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 112.631 -2.077 . . . . 15.0 108.305 -178.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 13.8 p -126.08 95.82 4.53 Favored 'General case' 0 C--N 1.315 -0.926 0 C-N-CA 119.782 -0.767 . . . . 15.0 109.636 162.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 6.0 t -118.83 122.34 42.14 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.538 -0.755 . . . . 15.0 110.894 -177.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.474 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 67.1 m95 -81.13 0.1 37.76 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.11 -0.95 . . . . 15.0 110.555 177.07 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -114.41 134.45 54.98 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.962 -0.563 . . . . 15.0 110.095 178.114 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 459' ' ' LYS . . . . . 0.503 ' HE3' ' O ' ' A' ' 463' ' ' LEU . 33.0 tttp -62.22 122.86 75.55 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 115.454 -0.794 . . . . 15.0 111.143 -177.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.638 ' HD2' HD12 ' A' ' 463' ' ' LEU . 60.2 Cg_endo -75.62 160.33 38.22 Favored 'Trans proline' 0 CA--C 1.529 0.267 0 C-N-CA 122.977 2.451 . . . . 15.0 111.761 179.428 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 53.3 tp60 -62.59 -27.39 69.16 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 112.173 0.435 . . . . 15.0 112.173 -172.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 462' ' ' GLU . . . . . 0.517 ' OE1' ' HB2' ' A' ' 460' ' ' PRO . 2.0 pm0 -75.89 -7.0 53.48 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.669 0.271 . . . . 15.0 111.414 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.638 HD12 ' HD2' ' A' ' 460' ' ' PRO . 72.0 mt -110.24 -5.64 15.24 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.588 0.233 . . . . 15.0 111.251 178.261 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 464' ' ' LYS . . . . . 0.49 ' HB3' ' HD3' ' A' ' 459' ' ' LYS . 55.6 pttt . . . . . 0 C--O 1.247 0.924 0 CA-C-O 119.305 -0.378 . . . . 15.0 110.913 -177.455 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.72 0 N-CA-C 112.137 -0.385 . . . . 15.0 112.137 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -78.5 134.6 37.28 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.424 0.154 . . . . 15.0 111.0 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 58.9 m 67.54 96.58 0.06 Allowed 'General case' 0 C--O 1.234 0.253 0 O-C-N 123.976 0.798 . . . . 15.0 111.254 179.709 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -94.28 109.47 21.29 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.738 -0.665 . . . . 15.0 110.73 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 22.8 m -77.21 137.54 22.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.164 -0.471 . . . . 15.0 110.363 177.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 41.6 m -150.08 -1.19 0.42 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.442 -0.345 . . . . 15.0 111.548 -177.712 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 434' ' ' GLU . . . . . 0.465 ' HB2' ' HG2' ' A' ' 451' ' ' ARG . 1.4 pm0 -75.2 -28.25 59.92 Favored 'General case' 0 CA--C 1.514 -0.438 0 CA-C-O 120.798 0.332 . . . . 15.0 111.691 -175.688 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.457 ' CD1' ' HG2' ' A' ' 434' ' ' GLU . 53.5 m95 -89.64 144.76 25.74 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 116.326 -0.397 . . . . 15.0 110.518 -172.663 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.693 ' HB ' ' O ' ' A' ' 448' ' ' TYR . 1.1 m -123.67 144.18 49.79 Favored 'General case' 0 N--CA 1.417 -2.076 0 C-N-CA 119.888 -0.725 . . . . 15.0 109.496 179.807 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -113.35 132.08 55.72 Favored 'General case' 0 C--N 1.31 -1.138 0 CA-C-O 121.406 0.622 . . . . 15.0 111.201 177.234 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 46.8 m-85 -126.75 150.08 49.28 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.617 -0.72 . . . . 15.0 110.046 177.105 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 0.699 ' HE3' HG23 ' A' ' 445' ' ' THR . 4.2 mptt -121.41 150.15 41.95 Favored 'General case' 0 CA--C 1.504 -0.808 0 CA-C-O 122.297 1.046 . . . . 15.0 112.147 175.334 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 440' ' ' THR . . . . . 0.494 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 71.5 p -93.78 150.83 20.06 Favored 'General case' 0 C--N 1.307 -1.26 0 CA-C-N 113.243 -1.799 . . . . 15.0 107.91 169.337 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -50.98 -22.51 2.32 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 112.533 0.568 . . . . 15.0 112.533 177.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 442' ' ' ASP . . . . . 0.454 ' OD2' ' HG3' ' A' ' 444' ' ' LYS . 3.4 p-10 -87.86 -0.42 56.95 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 120.959 0.409 . . . . 15.0 111.171 178.122 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.61 30.04 12.57 Favored Glycine 0 N--CA 1.448 -0.524 0 CA-C-N 115.995 -0.548 . . . . 15.0 113.045 171.79 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.598 ' O ' ' HA ' ' A' ' 439' ' ' LYS . 62.4 mttp -77.49 115.63 17.41 Favored 'General case' 0 CA--C 1.504 -0.812 0 N-CA-C 110.321 -0.251 . . . . 15.0 110.321 171.327 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 445' ' ' THR . . . . . 0.699 HG23 ' HE3' ' A' ' 439' ' ' LYS . 17.4 m -99.81 89.42 4.09 Favored 'General case' 0 N--CA 1.435 -1.207 0 C-N-CA 119.952 -0.699 . . . . 15.0 109.132 174.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 446' ' ' TYR . . . . . 0.628 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 17.3 p90 -104.21 145.4 30.26 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.395 -0.82 . . . . 15.0 110.107 173.649 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -101.52 108.86 20.55 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 121.581 0.705 . . . . 15.0 111.502 -175.255 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 448' ' ' TYR . . . . . 0.847 ' HA ' ' O ' ' A' ' 454' ' ' TYR . 39.2 t80 -101.88 110.21 22.14 Favored 'General case' 0 C--O 1.213 -0.846 0 CA-C-N 114.55 -1.204 . . . . 15.0 108.69 175.156 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 1.014 ' HB3' ' CD1' ' A' ' 454' ' ' TYR . 2.0 t-20 -90.02 147.56 23.6 Favored 'General case' 0 C--O 1.206 -1.215 0 O-C-N 122.015 -0.428 . . . . 15.0 110.793 -176.498 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -110.28 0.34 18.04 Favored 'General case' 0 N--CA 1.445 -0.703 0 N-CA-C 113.26 0.837 . . . . 15.0 113.26 -160.418 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 0.482 ' HG3' ' OG1' ' A' ' 452' ' ' THR . 14.3 ptt180 -95.12 -30.82 13.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.457 0.646 . . . . 15.0 109.99 172.563 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 452' ' ' THR . . . . . 0.759 ' HB ' ' CE1' ' A' ' 454' ' ' TYR . 21.9 m -129.93 -8.02 4.44 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.195 -0.911 . . . . 15.0 110.3 -173.697 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 453' ' ' LEU . . . . . 0.909 ' HA ' ' O ' ' A' ' 449' ' ' ASN . 0.3 OUTLIER 54.76 91.36 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 122.751 1.263 . . . . 15.0 113.129 176.74 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 454' ' ' TYR . . . . . 1.014 ' CD1' ' HB3' ' A' ' 449' ' ' ASN . 16.7 m-85 -113.03 149.42 33.39 Favored 'General case' 0 CA--C 1.51 -0.568 0 CA-C-N 112.933 -1.939 . . . . 15.0 108.427 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 5.1 p -125.98 97.33 5.07 Favored 'General case' 0 C--N 1.313 -0.981 0 N-CA-C 109.465 -0.568 . . . . 15.0 109.465 167.25 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 4.8 t -126.96 124.3 39.16 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.767 -0.651 . . . . 15.0 111.094 -179.283 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.628 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 24.6 m95 -77.29 -7.02 55.29 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.328 -0.851 . . . . 15.0 109.961 173.616 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -103.15 140.85 36.8 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.201 -0.666 . . . . 15.0 109.201 -178.838 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 459' ' ' LYS . . . . . 0.46 ' HA ' ' HD2' ' A' ' 460' ' ' PRO . 37.9 ttpt -75.72 123.47 88.37 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-O 120.813 0.339 . . . . 15.0 111.686 -173.113 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.659 ' HG2' HD13 ' A' ' 463' ' ' LEU . 19.2 Cg_endo -59.16 157.51 29.69 Favored 'Trans proline' 0 CA--C 1.531 0.369 0 C-N-CA 123.419 2.746 . . . . 15.0 112.797 178.029 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.48 -22.09 61.11 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 115.717 -0.674 . . . . 15.0 110.75 -175.692 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -79.14 -11.79 59.98 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.029 0.442 . . . . 15.0 111.153 177.488 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.659 HD13 ' HG2' ' A' ' 460' ' ' PRO . 9.2 mp -113.22 19.59 16.96 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.218 -0.66 . . . . 15.0 109.218 175.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 27.6 tptp . . . . . 0 C--O 1.251 1.137 0 CA-C-N 115.021 -0.991 . . . . 15.0 112.078 -178.998 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 434' ' ' GLU . . . . . 0.729 ' HB2' ' HG2' ' A' ' 451' ' ' ARG . 10.0 pt-20 . . . . . 0 CA--C 1.51 -0.572 0 CA-C-O 121.015 0.435 . . . . 15.0 111.068 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.51 ' HA ' ' HB2' ' A' ' 449' ' ' ASN . 31.2 m95 -89.63 139.84 30.15 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.668 -0.696 . . . . 15.0 109.368 -176.596 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.754 ' HB ' ' O ' ' A' ' 448' ' ' TYR . 1.1 m -120.58 140.26 51.78 Favored 'General case' 0 N--CA 1.413 -2.312 0 C-N-CA 119.382 -0.927 . . . . 15.0 109.315 -178.233 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -108.29 130.92 55.16 Favored 'General case' 0 C--N 1.309 -1.165 0 C-N-CA 119.835 -0.746 . . . . 15.0 111.101 173.778 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -122.97 150.06 43.47 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.978 -0.556 . . . . 15.0 110.132 177.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 0.97 ' HE3' ' HA2' ' A' ' 443' ' ' GLY . 31.4 tttp -121.93 142.18 50.55 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 116.079 -0.51 . . . . 15.0 109.84 176.256 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . 0.699 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 3.0 p -98.8 147.36 24.99 Favored 'General case' 0 N--CA 1.435 -1.193 0 N-CA-C 105.3 -2.111 . . . . 15.0 105.3 164.234 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -69.56 0.04 5.96 Favored 'General case' 0 C--N 1.317 -0.814 0 C-N-CA 120.008 -0.677 . . . . 15.0 112.286 -166.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -83.4 0.43 46.09 Favored 'General case' 0 C--N 1.333 -0.128 0 N-CA-C 108.903 -0.777 . . . . 15.0 108.903 171.348 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . 0.97 ' HA2' ' HE3' ' A' ' 439' ' ' LYS . . . 90.05 30.07 13.65 Favored Glycine 0 N--CA 1.439 -1.117 0 CA-C-N 114.888 -1.051 . . . . 15.0 112.544 174.394 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.699 ' HB2' ' OG1' ' A' ' 440' ' ' THR . 29.5 mtmm -96.34 107.19 19.53 Favored 'General case' 0 CA--C 1.498 -1.026 0 CA-C-O 120.956 0.408 . . . . 15.0 110.79 173.71 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 1.8 m -100.47 89.27 3.89 Favored 'General case' 0 C--N 1.309 -1.157 0 N-CA-C 108.673 -0.862 . . . . 15.0 108.673 176.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . 0.611 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 10.8 p90 -98.5 149.19 22.98 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.44 -0.8 . . . . 15.0 110.637 176.014 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -97.55 116.11 29.14 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.795 0.807 . . . . 15.0 111.744 -175.085 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . 0.916 ' HA ' ' O ' ' A' ' 454' ' ' TYR . 71.4 t80 -112.34 111.21 21.91 Favored 'General case' 0 N--CA 1.44 -0.927 0 CA-C-N 114.346 -1.297 . . . . 15.0 108.572 173.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 1.082 ' HB3' ' HD1' ' A' ' 454' ' ' TYR . 1.3 t-20 -89.62 146.66 24.39 Favored 'General case' 0 CA--C 1.493 -1.248 0 O-C-N 122.03 -0.419 . . . . 15.0 110.093 -177.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -110.02 2.12 19.41 Favored 'General case' 0 N--CA 1.441 -0.88 0 N-CA-C 113.298 0.851 . . . . 15.0 113.298 -158.206 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . 0.729 ' HG2' ' HB2' ' A' ' 434' ' ' GLU . 3.8 ptm180 -105.64 -25.72 12.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.144 0.497 . . . . 15.0 110.636 173.483 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . 0.673 ' HB ' ' CE1' ' A' ' 454' ' ' TYR . 4.1 m -125.44 -10.3 6.89 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.748 -0.66 . . . . 15.0 109.926 -178.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . 0.903 ' HA ' ' O ' ' A' ' 449' ' ' ASN 0.262 2.5 pp 53.45 93.1 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 123.446 1.593 . . . . 15.0 113.804 177.514 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 454' ' ' TYR . . . . . 1.082 ' HD1' ' HB3' ' A' ' 449' ' ' ASN . 50.7 m-85 -115.55 133.78 55.7 Favored 'General case' 0 CA--C 1.509 -0.604 0 CA-C-N 112.392 -2.185 . . . . 15.0 108.973 -178.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 13.2 p -107.26 101.08 10.49 Favored 'General case' 0 C--N 1.314 -0.936 0 C-N-CA 119.717 -0.793 . . . . 15.0 109.366 164.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 9.8 t -130.85 126.49 36.36 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-O 121.899 0.857 . . . . 15.0 111.485 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.676 ' CZ3' ' HD2' ' A' ' 444' ' ' LYS . 47.0 m95 -82.92 -0.14 47.04 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 114.725 -1.125 . . . . 15.0 109.995 174.019 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -101.97 144.91 29.99 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.665 -0.698 . . . . 15.0 110.26 -177.608 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 30.3 tttm -89.05 112.46 51.09 Favored Pre-proline 0 C--N 1.322 -0.625 0 CA-C-N 115.857 -0.611 . . . . 15.0 109.526 -176.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 31.0 Cg_endo . . . . . 0 C--O 1.225 -0.145 0 C-N-CA 123.246 2.631 . . . . 15.0 111.817 -174.242 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 434' ' ' GLU . . . . . 0.677 ' HB2' ' HG2' ' A' ' 451' ' ' ARG . 13.2 pt-20 . . . . . 0 CA--C 1.514 -0.421 0 CA-C-O 120.933 0.397 . . . . 15.0 111.285 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.457 ' CD1' ' HG3' ' A' ' 434' ' ' GLU . 35.5 m95 -89.78 139.78 30.24 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 116.079 -0.509 . . . . 15.0 110.004 -174.326 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.675 ' HB ' ' O ' ' A' ' 448' ' ' TYR . 1.1 m -123.83 143.41 50.35 Favored 'General case' 0 N--CA 1.417 -2.088 0 C-N-CA 119.771 -0.772 . . . . 15.0 109.67 -178.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -111.5 131.21 55.39 Favored 'General case' 0 C--N 1.31 -1.116 0 CA-C-O 121.495 0.664 . . . . 15.0 110.697 173.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -129.57 150.3 50.96 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.331 -0.849 . . . . 15.0 110.622 -178.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 0.518 ' HE2' ' HA2' ' A' ' 443' ' ' GLY . 55.6 tttt -124.51 137.57 54.41 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 115.314 -0.857 . . . . 15.0 109.606 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . 0.738 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 2.2 p -90.3 149.39 22.36 Favored 'General case' 0 N--CA 1.437 -1.123 0 N-CA-C 105.228 -2.138 . . . . 15.0 105.228 164.121 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -69.07 -2.45 10.13 Favored 'General case' 0 C--N 1.312 -1.056 0 C-N-CA 120.1 -0.64 . . . . 15.0 112.193 -168.211 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -84.29 -1.8 55.93 Favored 'General case' 0 CA--C 1.528 0.113 0 N-CA-C 109.01 -0.737 . . . . 15.0 109.01 172.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . 0.518 ' HA2' ' HE2' ' A' ' 439' ' ' LYS . . . 90.81 25.16 25.79 Favored Glycine 0 N--CA 1.441 -0.993 0 CA-C-N 114.639 -1.164 . . . . 15.0 113.25 173.323 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.738 ' HB2' ' OG1' ' A' ' 440' ' ' THR . 40.6 mttp -84.3 104.62 14.48 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 109.854 -0.424 . . . . 15.0 109.854 168.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 7.2 m -95.94 89.22 5.15 Favored 'General case' 0 N--CA 1.437 -1.107 0 C-N-CA 119.224 -0.99 . . . . 15.0 108.824 173.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . 0.577 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 27.2 p90 -94.41 150.01 20.68 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.439 -0.8 . . . . 15.0 110.171 172.796 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 79.3 m-85 -100.73 108.09 19.84 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.692 0.758 . . . . 15.0 111.371 -175.053 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . 0.865 ' HA ' ' O ' ' A' ' 454' ' ' TYR . 38.5 t80 -102.82 112.98 26.03 Favored 'General case' 0 C--O 1.212 -0.917 0 CA-C-N 114.306 -1.315 . . . . 15.0 109.234 178.332 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 1.041 ' HB3' ' CD1' ' A' ' 454' ' ' TYR . 1.3 t-20 -89.89 148.01 23.41 Favored 'General case' 0 CA--C 1.493 -1.219 0 O-C-N 121.941 -0.474 . . . . 15.0 110.078 -179.575 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -110.89 -1.11 16.6 Favored 'General case' 0 N--CA 1.444 -0.74 0 N-CA-C 113.621 0.971 . . . . 15.0 113.621 -157.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . 0.677 ' HG2' ' HB2' ' A' ' 434' ' ' GLU . 3.6 ptm180 -101.61 -32.28 10.43 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.194 -0.603 . . . . 15.0 110.397 172.638 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . 0.694 ' HB ' ' CE1' ' A' ' 454' ' ' TYR . 10.1 m -118.23 -10.85 10.18 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.881 -0.6 . . . . 15.0 110.308 -178.521 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . 0.966 ' HA ' ' O ' ' A' ' 449' ' ' ASN . 0.3 OUTLIER 53.91 96.83 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 122.96 1.362 . . . . 15.0 113.546 178.25 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 454' ' ' TYR . . . . . 1.041 ' CD1' ' HB3' ' A' ' 449' ' ' ASN . 36.0 m-85 -116.83 143.86 45.18 Favored 'General case' 0 CA--C 1.51 -0.589 0 CA-C-N 112.764 -2.016 . . . . 15.0 108.831 -179.697 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 3.8 p -119.29 94.65 4.5 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-O 121.232 0.539 . . . . 15.0 109.904 165.288 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 4.1 t -117.75 125.37 50.51 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.48 0.657 . . . . 15.0 110.647 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.577 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 63.4 m95 -82.65 -8.22 59.61 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.95 -1.023 . . . . 15.0 110.399 178.401 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -104.69 133.03 50.21 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.44 -0.948 . . . . 15.0 108.44 177.039 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 19.9 ttmm -56.56 120.72 38.64 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 123.504 0.503 . . . . 15.0 110.007 -179.055 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_endo . . . . . 0 N--CA 1.462 -0.377 0 C-N-CA 122.19 1.926 . . . . 15.0 111.033 -174.367 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 434' ' ' GLU . . . . . 0.542 ' HB2' ' HG2' ' A' ' 451' ' ' ARG . 2.0 pm0 . . . . . 0 CA--C 1.513 -0.464 0 CA-C-O 120.957 0.408 . . . . 15.0 111.303 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.417 ' HA ' ' HB2' ' A' ' 449' ' ' ASN . 35.0 m95 -89.62 150.09 22.53 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 115.961 -0.563 . . . . 15.0 110.053 -172.704 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.596 ' HB ' ' O ' ' A' ' 448' ' ' TYR . 1.1 m -132.62 144.33 50.29 Favored 'General case' 0 N--CA 1.418 -2.065 0 C-N-CA 119.814 -0.755 . . . . 15.0 110.035 178.122 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . 0.408 ' O ' ' HG2' ' A' ' 437' ' ' GLU . 1.3 pm0 -110.28 126.6 54.36 Favored 'General case' 0 C--N 1.312 -1.031 0 CA-C-O 121.649 0.738 . . . . 15.0 110.691 170.605 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -119.56 150.3 40.5 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.492 -0.776 . . . . 15.0 110.225 179.269 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 0.494 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 2.2 mppt? -119.14 145.44 45.96 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 122.044 0.926 . . . . 15.0 112.086 179.701 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . 0.448 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 67.3 p -89.81 150.93 22.04 Favored 'General case' 0 C--N 1.309 -1.185 0 CA-C-N 113.586 -1.643 . . . . 15.0 107.324 168.075 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -47.07 -26.88 1.17 Allowed 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 112.936 0.717 . . . . 15.0 112.936 178.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -88.4 -0.69 57.46 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-O 121.101 0.477 . . . . 15.0 111.474 178.178 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.01 30.32 13.11 Favored Glycine 0 CA--C 1.502 -0.779 0 CA-C-N 116.099 -0.5 . . . . 15.0 112.919 170.35 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.494 ' O ' ' HA ' ' A' ' 439' ' ' LYS . 64.9 mttm -71.72 103.17 2.99 Favored 'General case' 0 CA--C 1.502 -0.873 0 N-CA-C 109.117 -0.697 . . . . 15.0 109.117 168.057 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 13.2 m -89.88 89.31 7.68 Favored 'General case' 0 N--CA 1.431 -1.404 0 C-N-CA 119.245 -0.982 . . . . 15.0 108.526 173.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . 0.57 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 7.5 p90 -102.6 143.76 31.87 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.688 -0.687 . . . . 15.0 110.078 172.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -92.62 99.91 12.53 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 121.83 0.824 . . . . 15.0 111.528 -174.083 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . 0.8 ' HA ' ' O ' ' A' ' 454' ' ' TYR . 43.4 t80 -96.69 111.97 23.91 Favored 'General case' 0 N--CA 1.443 -0.81 0 CA-C-N 114.439 -1.255 . . . . 15.0 108.829 174.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.985 ' HB3' ' CD1' ' A' ' 454' ' ' TYR . 1.6 t-20 -89.72 145.98 24.83 Favored 'General case' 0 CA--C 1.491 -1.302 0 O-C-N 121.825 -0.547 . . . . 15.0 110.292 -179.364 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -109.97 -1.31 17.75 Favored 'General case' 0 N--CA 1.444 -0.759 0 N-CA-C 113.135 0.791 . . . . 15.0 113.135 -159.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . 0.549 ' HG3' ' N ' ' A' ' 452' ' ' THR . 7.9 ptt180 -91.52 -34.56 14.73 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.532 0.682 . . . . 15.0 109.837 172.689 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . 0.761 ' HB ' ' CE1' ' A' ' 454' ' ' TYR . 26.4 m -126.26 -11.35 6.37 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.067 -0.97 . . . . 15.0 110.144 -172.522 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . 0.928 ' HA ' ' O ' ' A' ' 449' ' ' ASN 0.256 0.3 OUTLIER 56.61 92.91 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 122.734 1.254 . . . . 15.0 113.059 178.218 . . . . . . . . 4 4 . 1 . 003 nuclear nobuild core ' A' A ' 454' ' ' TYR . . . . . 0.985 ' CD1' ' HB3' ' A' ' 449' ' ' ASN . 22.0 m-85 -113.3 134.24 54.71 Favored 'General case' 0 CA--C 1.512 -0.493 0 CA-C-N 112.803 -1.999 . . . . 15.0 108.905 -179.059 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 3.4 p -105.97 98.71 8.36 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.682 -0.488 . . . . 15.0 109.682 167.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 4.5 t -130.2 124.78 33.36 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.671 0.748 . . . . 15.0 111.02 179.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.57 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 29.4 m95 -86.9 -5.88 58.96 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 114.976 -1.011 . . . . 15.0 109.296 175.047 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -92.27 136.56 33.1 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.008 -0.996 . . . . 15.0 109.453 175.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 56.3 tttt -77.96 118.95 75.37 Favored Pre-proline 0 C--N 1.321 -0.632 0 N-CA-C 109.326 -0.62 . . . . 15.0 109.326 -179.261 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_endo . . . . . 0 N--CA 1.461 -0.427 0 C-N-CA 122.208 1.939 . . . . 15.0 111.87 -173.485 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 434' ' ' GLU . . . . . 0.488 ' HG3' ' CD1' ' A' ' 435' ' ' TRP . 6.9 pt-20 . . . . . 0 CA--C 1.517 -0.31 0 CA-C-O 120.925 0.393 . . . . 15.0 111.388 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.507 ' CZ3' ' HG3' ' A' ' 460' ' ' PRO . 43.8 m95 -89.56 147.43 23.95 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.976 -0.556 . . . . 15.0 110.406 -170.724 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.701 ' HB ' ' O ' ' A' ' 448' ' ' TYR . 1.1 m -124.77 140.5 52.87 Favored 'General case' 0 N--CA 1.42 -1.93 0 N-CA-C 108.804 -0.813 . . . . 15.0 108.804 179.794 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -110.45 132.17 54.41 Favored 'General case' 0 C--N 1.309 -1.166 0 C-N-CA 119.935 -0.706 . . . . 15.0 110.864 176.749 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -123.94 150.29 44.92 Favored 'General case' 0 CA--C 1.512 -0.506 0 CA-C-N 115.558 -0.747 . . . . 15.0 110.481 178.124 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 0.634 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 0.0 OUTLIER -120.51 145.81 46.92 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 115.229 -0.896 . . . . 15.0 110.905 172.704 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . 0.409 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 63.9 p -89.79 150.98 22.03 Favored 'General case' 0 C--N 1.307 -1.266 0 N-CA-C 107.061 -1.459 . . . . 15.0 107.061 167.14 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -45.13 -33.03 2.02 Favored 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 112.413 0.523 . . . . 15.0 112.413 178.02 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -81.34 -0.6 41.85 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-O 120.934 0.397 . . . . 15.0 111.669 179.067 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.32 30.33 12.54 Favored Glycine 0 CA--C 1.503 -0.668 0 CA-C-N 116.366 -0.379 . . . . 15.0 113.004 170.438 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.634 ' O ' ' HA ' ' A' ' 439' ' ' LYS . 48.0 mttm -73.99 108.33 6.74 Favored 'General case' 0 CA--C 1.503 -0.859 0 N-CA-C 109.487 -0.56 . . . . 15.0 109.487 169.523 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 18.7 m -93.57 89.37 6.23 Favored 'General case' 0 N--CA 1.435 -1.187 0 C-N-CA 119.213 -0.995 . . . . 15.0 108.782 174.088 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . 0.538 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 26.8 p90 -104.7 147.76 27.32 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.611 -0.722 . . . . 15.0 110.071 172.715 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -102.14 112.86 25.68 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-O 121.625 0.726 . . . . 15.0 111.518 -174.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . 0.762 ' HA ' ' O ' ' A' ' 454' ' ' TYR . 63.2 t80 -108.39 112.68 25.23 Favored 'General case' 0 C--O 1.214 -0.812 0 CA-C-N 114.587 -1.188 . . . . 15.0 108.647 174.468 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 1.019 ' HB3' ' HD1' ' A' ' 454' ' ' TYR . 2.1 t-20 -90.01 149.66 22.45 Favored 'General case' 0 CA--C 1.495 -1.141 0 O-C-N 122.13 -0.356 . . . . 15.0 110.475 -177.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -113.4 -2.81 13.86 Favored 'General case' 0 N--CA 1.445 -0.702 0 O-C-N 124.231 0.957 . . . . 15.0 112.294 -160.466 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 26.1 ttp180 -93.82 -42.23 9.22 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.611 0.72 . . . . 15.0 109.918 173.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . 0.445 ' O ' ' HG ' ' A' ' 453' ' ' LEU . 0.0 OUTLIER -116.8 -7.92 11.42 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 114.992 -1.004 . . . . 15.0 110.734 -176.403 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . 0.972 ' HA ' ' O ' ' A' ' 449' ' ' ASN 0.257 2.1 pp 52.36 100.12 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 123.122 1.439 . . . . 15.0 113.983 -179.567 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 454' ' ' TYR . . . . . 1.019 ' HD1' ' HB3' ' A' ' 449' ' ' ASN . 26.2 m-85 -121.54 148.67 44.18 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-N 112.857 -1.974 . . . . 15.0 108.77 -179.03 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 13.2 p -123.69 103.68 8.54 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 109.979 -0.378 . . . . 15.0 109.979 166.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 5.5 t -135.07 123.54 23.37 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.339 0.59 . . . . 15.0 111.215 -178.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.538 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 45.5 m95 -75.49 -16.77 60.26 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.451 -0.795 . . . . 15.0 110.18 173.801 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -84.72 139.42 32.01 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.463 -0.79 . . . . 15.0 109.917 176.315 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 24.5 tttm -71.88 121.32 84.23 Favored Pre-proline 0 C--N 1.323 -0.58 0 N-CA-C 109.214 -0.661 . . . . 15.0 109.214 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . 0.507 ' HG3' ' CZ3' ' A' ' 435' ' ' TRP . 82.0 Cg_exo . . . . . 0 C--N 1.344 0.322 0 C-N-CA 124.27 3.313 . . . . 15.0 113.994 -175.571 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 434' ' ' GLU . . . . . 0.484 ' HG3' ' CD1' ' A' ' 435' ' ' TRP . 9.5 pt-20 . . . . . 0 CA--C 1.519 -0.24 0 N-CA-C 112.146 0.424 . . . . 15.0 112.146 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.484 ' CD1' ' HG3' ' A' ' 434' ' ' GLU . 42.5 m95 -89.76 140.71 29.32 Favored 'General case' 0 C--N 1.319 -0.761 0 N-CA-C 109.7 -0.482 . . . . 15.0 109.7 -173.764 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.78 ' HB ' ' O ' ' A' ' 448' ' ' TYR . 1.1 m -119.27 139.49 51.83 Favored 'General case' 0 N--CA 1.416 -2.156 0 N-CA-C 108.334 -0.987 . . . . 15.0 108.334 -177.608 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -109.94 133.45 53.16 Favored 'General case' 0 C--N 1.311 -1.107 0 C-N-CA 119.668 -0.813 . . . . 15.0 111.695 178.567 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -126.08 150.31 48.26 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-N 115.777 -0.647 . . . . 15.0 110.746 178.202 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 0.613 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 0.0 OUTLIER -122.89 146.29 47.71 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 115.318 -0.855 . . . . 15.0 110.882 171.283 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . 0.462 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 81.9 p -89.98 150.95 21.91 Favored 'General case' 0 C--N 1.308 -1.205 0 N-CA-C 107.429 -1.323 . . . . 15.0 107.429 166.655 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -47.86 -24.04 0.9 Allowed 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 112.802 0.667 . . . . 15.0 112.802 177.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . 0.408 ' OD2' ' HG3' ' A' ' 444' ' ' LYS . 3.7 p-10 -87.4 -1.01 57.62 Favored 'General case' 0 N--CA 1.468 0.439 0 O-C-N 121.992 -0.443 . . . . 15.0 111.598 177.812 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.52 29.88 13.09 Favored Glycine 0 CA--C 1.504 -0.61 0 CA-C-N 116.36 -0.382 . . . . 15.0 112.937 171.178 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.613 ' O ' ' HA ' ' A' ' 439' ' ' LYS . 63.3 mttp -75.74 104.64 6.38 Favored 'General case' 0 CA--C 1.505 -0.756 0 N-CA-C 109.916 -0.401 . . . . 15.0 109.916 169.304 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 23.9 m -90.03 89.41 7.69 Favored 'General case' 0 N--CA 1.438 -1.069 0 C-N-CA 119.224 -0.991 . . . . 15.0 108.769 173.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . 0.545 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 11.3 p90 -104.42 145.51 30.17 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.607 -0.724 . . . . 15.0 109.815 172.133 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -102.55 113.68 27.26 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-O 121.723 0.773 . . . . 15.0 111.522 -173.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . 0.904 ' HA ' ' O ' ' A' ' 454' ' ' TYR . 57.5 t80 -106.63 109.21 21.06 Favored 'General case' 0 C--O 1.209 -1.076 0 CA-C-N 114.438 -1.255 . . . . 15.0 108.842 176.626 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 1.04 ' HB3' ' CD1' ' A' ' 454' ' ' TYR . 1.5 t-20 -89.91 147.71 23.57 Favored 'General case' 0 CA--C 1.491 -1.313 0 O-C-N 121.839 -0.538 . . . . 15.0 110.881 -176.519 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -110.02 3.27 20.23 Favored 'General case' 0 N--CA 1.445 -0.676 0 N-CA-C 113.129 0.789 . . . . 15.0 113.129 -159.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . 0.45 ' HG3' ' OG1' ' A' ' 452' ' ' THR . 16.8 ptm180 -101.14 -30.63 11.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.281 0.562 . . . . 15.0 110.015 171.799 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . 0.782 ' HB ' ' CE1' ' A' ' 454' ' ' TYR . 4.9 m -124.27 -9.11 7.56 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.384 -0.825 . . . . 15.0 110.344 -176.301 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . 0.915 ' HA ' ' O ' ' A' ' 449' ' ' ASN 0.254 0.2 OUTLIER 53.2 88.83 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 122.787 1.279 . . . . 15.0 113.155 177.998 . . . . . . . . 4 4 . 1 . 005 nuclear nobuild core ' A' A ' 454' ' ' TYR . . . . . 1.04 ' CD1' ' HB3' ' A' ' 449' ' ' ASN . 46.7 m-85 -109.9 138.06 46.8 Favored 'General case' 0 CA--C 1.507 -0.705 0 CA-C-N 112.686 -2.052 . . . . 15.0 109.168 -179.031 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 3.8 p -113.28 105.19 13.12 Favored 'General case' 0 C--N 1.314 -0.935 0 N-CA-C 109.36 -0.607 . . . . 15.0 109.36 164.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 9.1 t -137.55 124.77 21.71 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.308 0.575 . . . . 15.0 110.744 179.657 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.554 ' CZ3' ' HD3' ' A' ' 444' ' ' LYS . 36.6 m95 -74.4 -6.48 48.45 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.623 -0.717 . . . . 15.0 110.994 175.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -101.23 143.64 31.06 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.999 0.428 . . . . 15.0 110.677 -176.159 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 33.7 ttmt -82.79 118.6 72.33 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 115.792 -0.64 . . . . 15.0 110.261 179.508 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo . . . . . 0 C--O 1.235 0.338 0 C-N-CA 122.891 2.394 . . . . 15.0 112.735 -177.979 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 434' ' ' GLU . . . . . 0.498 ' HB2' ' HG2' ' A' ' 451' ' ' ARG . 1.2 pm0 . . . . . 0 CA--C 1.512 -0.482 0 CA-C-O 120.88 0.371 . . . . 15.0 111.705 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.47 ' CD1' ' HG2' ' A' ' 434' ' ' GLU . 45.0 m95 -89.46 138.96 31.0 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 116.208 -0.451 . . . . 15.0 109.877 -173.251 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.803 ' HB ' ' O ' ' A' ' 448' ' ' TYR . 1.1 m -118.26 131.51 56.35 Favored 'General case' 0 N--CA 1.415 -2.202 0 N-CA-C 108.435 -0.95 . . . . 15.0 108.435 -176.728 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.17 130.15 50.28 Favored 'General case' 0 C--N 1.309 -1.156 0 C-N-CA 118.975 -1.09 . . . . 15.0 111.223 177.236 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -122.77 150.11 43.23 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.666 -0.697 . . . . 15.0 110.882 178.096 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 0.607 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 0.1 OUTLIER -125.8 145.88 50.03 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.418 -0.81 . . . . 15.0 110.74 173.021 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . 0.521 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 65.6 p -89.67 150.78 22.2 Favored 'General case' 0 C--N 1.31 -1.135 0 N-CA-C 107.093 -1.447 . . . . 15.0 107.093 167.264 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -46.64 -24.9 0.61 Allowed 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 113.183 0.809 . . . . 15.0 113.183 -179.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . 0.513 ' OD2' ' HG3' ' A' ' 444' ' ' LYS . 7.1 p-10 -85.98 -2.02 57.89 Favored 'General case' 0 N--CA 1.47 0.531 0 O-C-N 122.031 -0.418 . . . . 15.0 111.393 178.012 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.08 30.36 12.89 Favored Glycine 0 CA--C 1.505 -0.583 0 CA-C-N 115.981 -0.554 . . . . 15.0 113.132 171.53 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.607 ' O ' ' HA ' ' A' ' 439' ' ' LYS . 51.9 mttp -73.46 107.48 5.77 Favored 'General case' 0 CA--C 1.504 -0.794 0 N-CA-C 109.93 -0.396 . . . . 15.0 109.93 169.546 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . 0.59 HG23 ' HD2' ' A' ' 439' ' ' LYS . 14.0 m -92.47 89.4 6.75 Favored 'General case' 0 N--CA 1.435 -1.203 0 C-N-CA 119.338 -0.945 . . . . 15.0 109.29 176.15 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . 0.622 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 5.4 p90 -105.81 144.05 33.1 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.424 -0.807 . . . . 15.0 110.562 171.691 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -99.26 117.91 34.76 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-O 121.6 0.714 . . . . 15.0 111.405 -175.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . 0.847 ' HA ' ' O ' ' A' ' 454' ' ' TYR . 47.3 t80 -112.75 108.9 18.09 Favored 'General case' 0 C--O 1.209 -1.048 0 CA-C-N 114.539 -1.21 . . . . 15.0 108.502 175.203 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 1.029 ' HB3' ' CD1' ' A' ' 454' ' ' TYR . 2.2 t-20 -90.07 144.93 25.46 Favored 'General case' 0 C--O 1.203 -1.374 0 O-C-N 121.69 -0.631 . . . . 15.0 111.361 -176.636 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -107.11 2.55 24.98 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 115.317 -0.856 . . . . 15.0 113.107 -162.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . 0.564 ' HG3' ' OG1' ' A' ' 452' ' ' THR . 10.8 ptt180 -93.47 -25.96 17.4 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 121.467 0.651 . . . . 15.0 109.77 172.568 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . 0.76 ' HB ' ' CE1' ' A' ' 454' ' ' TYR . 16.1 m -136.67 -12.76 1.75 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.137 -0.938 . . . . 15.0 110.585 -171.684 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . 0.867 ' HA ' ' O ' ' A' ' 449' ' ' ASN 0.267 0.3 OUTLIER 57.18 86.0 0.08 Allowed 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 122.886 1.326 . . . . 15.0 112.764 179.846 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild core ' A' A ' 454' ' ' TYR . . . . . 1.029 ' CD1' ' HB3' ' A' ' 449' ' ' ASN . 32.4 m-85 -106.56 146.34 30.77 Favored 'General case' 0 CA--C 1.511 -0.519 0 CA-C-N 112.635 -2.075 . . . . 15.0 108.586 178.36 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 5.7 p -122.34 96.74 5.16 Favored 'General case' 0 C--N 1.319 -0.739 0 C-N-CA 120.535 -0.466 . . . . 15.0 109.876 166.048 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 4.2 t -123.6 123.79 41.36 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.548 0.69 . . . . 15.0 110.93 -178.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.622 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 51.8 m95 -82.91 -0.16 47.11 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.197 -0.91 . . . . 15.0 110.175 175.498 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -108.98 142.4 39.7 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.865 -0.607 . . . . 15.0 109.962 179.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 23.4 ttmm -74.06 121.59 85.55 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.469 -0.332 . . . . 15.0 110.597 -178.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_endo . . . . . 0 C--O 1.235 0.347 0 C-N-CA 122.866 2.377 . . . . 15.0 112.655 -179.436 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 434' ' ' GLU . . . . . 0.411 ' CB ' ' HD3' ' A' ' 451' ' ' ARG . 1.5 pm0 . . . . . 0 CA--C 1.512 -0.496 0 CA-C-O 121.091 0.472 . . . . 15.0 110.48 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.484 ' HA ' ' HB2' ' A' ' 449' ' ' ASN . 43.7 m95 -89.55 138.54 31.37 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.491 -0.777 . . . . 15.0 109.586 -175.162 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.763 ' HB ' ' O ' ' A' ' 448' ' ' TYR . 1.1 m -120.3 139.48 52.66 Favored 'General case' 0 N--CA 1.417 -2.116 0 C-N-CA 119.432 -0.907 . . . . 15.0 108.931 -177.435 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -110.44 133.79 52.94 Favored 'General case' 0 C--N 1.306 -1.308 0 CA-C-O 121.522 0.677 . . . . 15.0 110.692 176.232 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -129.08 150.14 50.6 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.439 -0.8 . . . . 15.0 110.1 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 0.567 ' HE3' ' OG1' ' A' ' 445' ' ' THR . 3.6 mptt -120.98 150.1 41.64 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-O 122.37 1.081 . . . . 15.0 112.065 174.671 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . 0.628 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 1.6 p -106.05 150.23 25.95 Favored 'General case' 0 C--N 1.301 -1.513 0 CA-C-N 113.159 -1.837 . . . . 15.0 107.847 167.298 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -57.08 -12.55 2.21 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 113.159 0.8 . . . . 15.0 113.159 -172.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 21.0 p30 -86.57 -0.26 55.78 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.903 0.382 . . . . 15.0 111.107 177.176 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.05 30.24 13.24 Favored Glycine 0 CA--C 1.507 -0.407 0 CA-C-N 115.945 -0.571 . . . . 15.0 112.71 171.265 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.628 ' HB2' ' OG1' ' A' ' 440' ' ' THR . 62.5 mttt -90.73 113.57 25.7 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.4 -0.4 . . . . 15.0 110.521 174.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . 0.567 ' OG1' ' HE3' ' A' ' 439' ' ' LYS . 4.4 m -96.85 89.57 4.93 Favored 'General case' 0 N--CA 1.437 -1.078 0 C-N-CA 119.619 -0.833 . . . . 15.0 108.863 171.618 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . 0.621 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 21.7 p90 -99.41 144.85 28.05 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 116.052 -0.522 . . . . 15.0 110.191 173.52 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 59.7 m-85 -98.38 114.25 26.52 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.506 0.67 . . . . 15.0 111.838 -173.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . 0.887 ' HA ' ' O ' ' A' ' 454' ' ' TYR . 71.7 t80 -108.25 108.96 20.19 Favored 'General case' 0 C--O 1.211 -0.951 0 CA-C-N 114.464 -1.244 . . . . 15.0 108.482 174.205 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.976 ' HB3' ' CD1' ' A' ' 454' ' ' TYR . 1.6 t-20 -89.7 143.01 27.15 Favored 'General case' 0 CA--C 1.49 -1.362 0 O-C-N 121.837 -0.539 . . . . 15.0 110.705 -177.014 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -105.96 0.71 25.98 Favored 'General case' 0 N--CA 1.442 -0.846 0 CA-C-N 114.899 -1.046 . . . . 15.0 113.134 -162.597 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . 0.517 ' HG2' ' OD1' ' A' ' 449' ' ' ASN . 27.2 ptt180 -92.19 -20.49 21.15 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 121.413 0.625 . . . . 15.0 110.111 174.585 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . 0.674 ' HB ' ' CE1' ' A' ' 454' ' ' TYR . 57.9 m -148.26 -9.94 0.38 Allowed 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.394 -0.821 . . . . 15.0 110.569 -171.026 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . 0.858 ' HA ' ' O ' ' A' ' 449' ' ' ASN 0.286 3.2 pp 60.01 94.8 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 123.327 1.537 . . . . 15.0 113.417 175.001 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 454' ' ' TYR . . . . . 0.976 ' CD1' ' HB3' ' A' ' 449' ' ' ASN . 18.2 m-85 -118.55 146.09 44.85 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 112.298 -2.228 . . . . 15.0 108.218 -178.772 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 3.4 p -123.77 94.38 4.22 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-O 121.17 0.51 . . . . 15.0 110.208 167.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 3.0 t -122.25 123.07 40.59 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.651 -0.704 . . . . 15.0 110.556 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.621 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 40.7 m95 -80.8 -8.4 59.68 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.491 -0.777 . . . . 15.0 109.857 177.12 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -97.06 141.36 30.3 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.516 -0.765 . . . . 15.0 110.178 179.382 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 38.2 tttt -72.89 120.15 79.32 Favored Pre-proline 0 C--N 1.322 -0.61 0 CA-C-N 115.42 -0.809 . . . . 15.0 110.353 -177.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo . . . . . 0 N--CA 1.461 -0.394 0 C-N-CA 122.896 2.398 . . . . 15.0 112.053 -177.503 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 434' ' ' GLU . . . . . 0.484 ' HG3' ' CD1' ' A' ' 435' ' ' TRP . 8.7 pt-20 . . . . . 0 CA--C 1.51 -0.589 0 CA-C-O 121.084 0.469 . . . . 15.0 110.769 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.484 ' CD1' ' HG3' ' A' ' 434' ' ' GLU . 45.1 m95 -89.51 141.14 28.85 Favored 'General case' 0 N--CA 1.44 -0.963 0 CA-C-N 115.575 -0.738 . . . . 15.0 109.35 -174.558 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.688 ' HB ' ' O ' ' A' ' 448' ' ' TYR . 1.1 m -123.35 142.67 50.72 Favored 'General case' 0 N--CA 1.412 -2.343 0 C-N-CA 119.522 -0.871 . . . . 15.0 109.378 -178.551 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 3.5 pm0 -113.32 130.33 56.3 Favored 'General case' 0 C--N 1.309 -1.19 0 CA-C-O 121.634 0.73 . . . . 15.0 111.09 173.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -125.53 150.24 47.6 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.338 -0.846 . . . . 15.0 110.11 177.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 0.559 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 11.8 mptt -118.59 150.1 40.24 Favored 'General case' 0 CA--C 1.503 -0.851 0 CA-C-O 121.963 0.887 . . . . 15.0 111.704 174.737 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . 0.456 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 66.3 p -91.47 150.76 21.08 Favored 'General case' 0 C--N 1.304 -1.409 0 CA-C-N 113.507 -1.679 . . . . 15.0 107.769 169.315 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -44.61 -30.42 0.91 Allowed 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 112.581 0.586 . . . . 15.0 112.581 175.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . 0.408 ' OD2' ' HG3' ' A' ' 444' ' ' LYS . 5.3 p-10 -86.16 0.6 53.23 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-O 120.772 0.32 . . . . 15.0 111.579 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.6 29.87 12.94 Favored Glycine 0 CA--C 1.508 -0.384 0 CA-C-N 116.368 -0.378 . . . . 15.0 113.137 169.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.559 ' O ' ' HA ' ' A' ' 439' ' ' LYS . 57.6 mttp -75.97 108.98 9.23 Favored 'General case' 0 CA--C 1.508 -0.661 0 N-CA-C 110.261 -0.274 . . . . 15.0 110.261 172.214 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 31.9 m -91.76 89.53 7.13 Favored 'General case' 0 N--CA 1.438 -1.035 0 C-N-CA 119.538 -0.865 . . . . 15.0 109.096 174.03 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . 0.593 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 20.3 p90 -106.04 146.05 30.62 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.594 -0.73 . . . . 15.0 110.081 173.229 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -99.58 110.66 23.08 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.849 0.833 . . . . 15.0 111.231 -175.105 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . 0.888 ' HA ' ' O ' ' A' ' 454' ' ' TYR . 56.5 t80 -108.23 110.23 21.79 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 114.106 -1.407 . . . . 15.0 108.839 177.147 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.984 ' HB3' ' CD1' ' A' ' 454' ' ' TYR . 1.4 t-20 -89.71 147.4 23.88 Favored 'General case' 0 CA--C 1.494 -1.194 0 O-C-N 122.057 -0.402 . . . . 15.0 110.596 -177.07 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -112.34 6.43 18.79 Favored 'General case' 0 N--CA 1.447 -0.62 0 O-C-N 123.91 0.756 . . . . 15.0 112.853 -159.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . 0.438 ' HG2' ' OD1' ' A' ' 449' ' ' ASN . 12.3 ptm180 -100.54 -26.77 13.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.561 0.696 . . . . 15.0 109.822 171.7 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . 0.699 ' HB ' ' CE1' ' A' ' 454' ' ' TYR . 39.2 m -136.04 -7.0 2.09 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.089 -0.959 . . . . 15.0 110.347 -173.332 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . 0.915 ' HA ' ' O ' ' A' ' 449' ' ' ASN 0.252 0.3 OUTLIER 54.79 92.11 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 122.96 1.362 . . . . 15.0 113.216 174.534 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild core ' A' A ' 454' ' ' TYR . . . . . 0.984 ' CD1' ' HB3' ' A' ' 449' ' ' ASN . 32.1 m-85 -113.61 142.18 46.29 Favored 'General case' 0 CA--C 1.508 -0.635 0 CA-C-N 112.538 -2.119 . . . . 15.0 108.8 -178.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 4.4 p -118.25 90.65 3.38 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 121.42 0.629 . . . . 15.0 110.227 168.158 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 3.5 t -117.84 123.16 45.23 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.345 -0.843 . . . . 15.0 110.691 -178.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.593 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 55.0 m95 -81.79 0.22 40.24 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 114.921 -1.036 . . . . 15.0 111.184 179.36 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -120.8 141.02 50.91 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.943 -0.571 . . . . 15.0 110.517 179.323 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 4.0 ttmp? -75.84 121.86 85.87 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.126 -0.488 . . . . 15.0 111.813 -176.017 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo . . . . . 0 CA--C 1.53 0.32 0 C-N-CA 122.733 2.288 . . . . 15.0 111.296 172.271 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 434' ' ' GLU . . . . . 0.476 ' HG3' ' CD1' ' A' ' 435' ' ' TRP . 7.7 pt-20 . . . . . 0 N--CA 1.452 -0.357 0 CA-C-O 120.869 0.366 . . . . 15.0 111.45 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.526 ' HA ' ' HB2' ' A' ' 449' ' ' ASN . 47.4 m95 -89.55 145.71 25.09 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.211 -0.449 . . . . 15.0 110.057 -172.17 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.559 ' HB ' ' O ' ' A' ' 448' ' ' TYR . 1.1 m -127.6 123.76 36.47 Favored 'General case' 0 N--CA 1.415 -2.218 0 C-N-CA 119.731 -0.788 . . . . 15.0 109.283 -178.001 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . 0.478 ' HB3' ' CD1' ' A' ' 447' ' ' TYR . 0.5 OUTLIER -101.06 128.99 46.87 Favored 'General case' 0 C--N 1.304 -1.399 0 C-N-CA 118.355 -1.338 . . . . 15.0 111.088 176.678 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 47.6 m-85 -111.67 150.03 30.73 Favored 'General case' 0 C--N 1.31 -1.14 0 CA-C-N 114.632 -1.167 . . . . 15.0 109.371 179.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 0.591 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 0.0 OUTLIER -118.51 144.58 45.94 Favored 'General case' 0 CA--C 1.498 -1.053 0 CA-C-O 122.107 0.956 . . . . 15.0 112.279 176.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . 0.508 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 70.1 p -92.32 150.49 20.82 Favored 'General case' 0 C--N 1.301 -1.528 0 CA-C-N 113.537 -1.665 . . . . 15.0 107.653 169.303 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -57.14 -15.69 6.12 Favored 'General case' 0 C--N 1.314 -0.962 0 N-CA-C 112.463 0.542 . . . . 15.0 112.463 -179.19 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -93.58 3.68 55.13 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 121.132 0.491 . . . . 15.0 111.166 176.47 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.73 29.77 12.84 Favored Glycine 0 N--CA 1.449 -0.497 0 CA-C-N 115.98 -0.554 . . . . 15.0 113.227 170.443 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.591 ' O ' ' HA ' ' A' ' 439' ' ' LYS . 53.2 mttp -81.66 111.55 18.04 Favored 'General case' 0 CA--C 1.507 -0.694 0 N-CA-C 110.089 -0.337 . . . . 15.0 110.089 170.045 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 26.4 m -99.25 89.47 4.23 Favored 'General case' 0 N--CA 1.439 -0.976 0 C-N-CA 119.63 -0.828 . . . . 15.0 108.893 171.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . 0.539 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 18.1 p90 -102.08 150.02 23.67 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.425 -0.807 . . . . 15.0 110.138 175.495 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . 0.613 ' CD2' ' HD3' ' A' ' 460' ' ' PRO . 87.5 m-85 -103.42 109.13 20.65 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-O 122.098 0.951 . . . . 15.0 112.255 -171.565 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . 0.805 ' HA ' ' O ' ' A' ' 454' ' ' TYR . 37.4 t80 -109.83 111.09 22.3 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 113.833 -1.53 . . . . 15.0 108.537 173.155 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 1.062 ' HB3' ' HD1' ' A' ' 454' ' ' TYR . 1.3 t-20 -89.62 149.26 22.9 Favored 'General case' 0 CA--C 1.493 -1.233 0 O-C-N 121.804 -0.56 . . . . 15.0 110.477 -176.568 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 10.0 p30 -109.99 -3.67 16.37 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.193 -0.912 . . . . 15.0 111.473 -162.046 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 69.3 ttt180 -88.97 -64.4 1.15 Allowed 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.692 0.758 . . . . 15.0 109.166 173.527 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . 0.405 ' O ' ' HG ' ' A' ' 453' ' ' LEU . 0.0 OUTLIER -97.64 -4.91 36.52 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 114.49 -1.232 . . . . 15.0 110.87 -177.166 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . 0.999 ' HA ' ' O ' ' A' ' 449' ' ' ASN . 0.3 OUTLIER 49.21 100.61 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 122.762 1.268 . . . . 15.0 114.13 -178.936 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 454' ' ' TYR . . . . . 1.062 ' HD1' ' HB3' ' A' ' 449' ' ' ASN . 29.0 m-85 -120.61 150.17 41.33 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 113.028 -1.896 . . . . 15.0 108.931 -178.151 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 12.4 p -124.51 103.51 8.2 Favored 'General case' 0 C--N 1.317 -0.835 0 C-N-CA 120.289 -0.565 . . . . 15.0 109.963 162.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . 0.487 ' OG1' ' HG3' ' A' ' 458' ' ' GLU . 6.4 t -128.65 128.42 44.11 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.552 0.692 . . . . 15.0 110.551 176.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.539 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 95.5 m95 -81.22 0.09 38.2 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.1 -0.954 . . . . 15.0 111.636 178.681 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . 0.487 ' HG3' ' OG1' ' A' ' 456' ' ' THR . 0.5 OUTLIER -116.93 152.43 34.55 Favored 'General case' 0 N--CA 1.44 -0.927 0 CA-C-N 116.203 -0.453 . . . . 15.0 110.166 177.322 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . 0.48 ' HA ' ' CE2' ' A' ' 447' ' ' TYR . 22.9 ttmm -61.6 125.54 84.79 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 115.797 -0.638 . . . . 15.0 110.26 -178.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . 0.613 ' HD3' ' CD2' ' A' ' 447' ' ' TYR . 54.5 Cg_exo . . . . . 0 C--N 1.345 0.347 0 C-N-CA 123.326 2.684 . . . . 15.0 112.95 -175.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 434' ' ' GLU . . . . . 0.714 ' HB2' ' HG2' ' A' ' 451' ' ' ARG . 8.4 pt-20 . . . . . 0 CA--C 1.511 -0.528 0 CA-C-O 121.011 0.434 . . . . 15.0 111.17 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.547 ' HA ' ' HB2' ' A' ' 449' ' ' ASN . 50.7 m95 -89.6 137.71 32.09 Favored 'General case' 0 CA--C 1.499 -1.018 0 N-CA-C 109.1 -0.704 . . . . 15.0 109.1 -177.581 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.711 ' HB ' ' O ' ' A' ' 448' ' ' TYR . 1.1 m -117.01 114.16 23.39 Favored 'General case' 0 N--CA 1.417 -2.099 0 C-N-CA 118.803 -1.159 . . . . 15.0 109.666 -175.331 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -89.8 131.52 35.7 Favored 'General case' 0 C--N 1.309 -1.156 0 C-N-CA 119.699 -0.801 . . . . 15.0 110.793 -175.622 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . 0.467 ' O ' ' HA ' ' A' ' 445' ' ' THR . 50.7 m-85 -119.43 150.03 40.89 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.249 -0.887 . . . . 15.0 110.051 177.434 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 1.034 ' HE2' ' HA2' ' A' ' 443' ' ' GLY . 41.4 tttm -132.21 127.54 36.02 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-N 115.304 -0.862 . . . . 15.0 109.352 176.018 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . 0.651 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 7.8 p -89.59 144.46 26.0 Favored 'General case' 0 N--CA 1.431 -1.385 0 N-CA-C 104.359 -2.46 . . . . 15.0 104.359 168.564 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -66.41 -1.3 3.35 Favored 'General case' 0 C--N 1.306 -1.285 0 N-CA-C 113.364 0.876 . . . . 15.0 113.364 -163.658 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . 0.461 ' OD2' ' HG3' ' A' ' 444' ' ' LYS . 7.8 p-10 -81.76 -0.62 43.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.799 0.809 . . . . 15.0 108.903 169.566 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . 1.034 ' HA2' ' HE2' ' A' ' 439' ' ' LYS . . . 90.59 26.04 23.91 Favored Glycine 0 CA--C 1.502 -0.726 0 CA-C-N 114.398 -1.274 . . . . 15.0 112.857 172.534 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.69 ' HD2' ' HZ3' ' A' ' 457' ' ' TRP . 30.3 mtmm -83.37 108.91 16.87 Favored 'General case' 0 CA--C 1.5 -0.966 0 C-N-CA 120.854 -0.338 . . . . 15.0 110.564 173.716 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . 0.467 ' HA ' ' O ' ' A' ' 438' ' ' TYR . 7.4 m -100.12 89.35 3.99 Favored 'General case' 0 C--N 1.311 -1.084 0 N-CA-C 109.072 -0.714 . . . . 15.0 109.072 177.543 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . 0.528 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 6.5 p90 -102.28 143.21 32.35 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 114.927 -1.033 . . . . 15.0 110.446 174.692 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -99.16 114.78 27.72 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.63 0.729 . . . . 15.0 112.008 -174.109 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . 0.886 ' HA ' ' O ' ' A' ' 454' ' ' TYR . 60.6 t80 -107.43 107.57 18.51 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 114.636 -1.165 . . . . 15.0 108.657 171.64 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 1.044 ' HB3' ' CD1' ' A' ' 454' ' ' TYR . 1.3 t-20 -89.66 148.51 23.27 Favored 'General case' 0 CA--C 1.493 -1.215 0 O-C-N 122.19 -0.319 . . . . 15.0 110.469 -175.375 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -110.59 -0.44 17.27 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 113.244 0.831 . . . . 15.0 113.244 -159.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . 0.714 ' HG2' ' HB2' ' A' ' 434' ' ' GLU . 3.4 ptm180 -104.18 -27.33 12.12 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.469 -0.492 . . . . 15.0 110.608 173.576 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . 0.774 ' HB ' ' CE1' ' A' ' 454' ' ' TYR . 3.6 m -123.41 -7.47 8.13 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.912 -0.586 . . . . 15.0 110.027 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . 0.958 ' HA ' ' O ' ' A' ' 449' ' ' ASN 0.251 0.3 OUTLIER 50.61 94.3 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 122.809 1.29 . . . . 15.0 113.877 178.008 . . . . . . . . 4 4 . 1 . 010 nuclear nobuild core ' A' A ' 454' ' ' TYR . . . . . 1.044 ' CD1' ' HB3' ' A' ' 449' ' ' ASN . 27.5 m-85 -116.26 147.96 40.97 Favored 'General case' 0 CA--C 1.507 -0.708 0 CA-C-N 112.943 -1.935 . . . . 15.0 108.788 -179.282 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 20.2 p -117.51 89.9 3.22 Favored 'General case' 0 C--N 1.314 -0.977 0 N-CA-C 108.508 -0.923 . . . . 15.0 108.508 160.153 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 4.0 m -115.25 110.13 18.98 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 114.57 -1.196 . . . . 15.0 110.586 -171.223 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.69 ' HZ3' ' HD2' ' A' ' 444' ' ' LYS . 86.2 m95 -77.31 -0.12 24.32 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.184 -0.462 . . . . 15.0 111.831 -178.25 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -121.09 151.72 39.52 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 116.257 -0.429 . . . . 15.0 110.078 -179.194 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 18.6 ttmm -76.31 118.35 70.76 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 116.467 -0.333 . . . . 15.0 110.397 -178.438 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo . . . . . 0 C--O 1.234 0.303 0 C-N-CA 122.985 2.456 . . . . 15.0 112.251 179.478 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 434' ' ' GLU . . . . . 0.444 ' HB3' ' NH1' ' A' ' 451' ' ' ARG . 1.5 pm0 . . . . . 0 CA--C 1.51 -0.568 0 CA-C-O 121.185 0.516 . . . . 15.0 111.107 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.432 ' CZ3' ' HG3' ' A' ' 460' ' ' PRO . 42.5 m95 -89.63 145.75 25.03 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 115.554 -0.748 . . . . 15.0 110.126 -174.343 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.703 ' HB ' ' O ' ' A' ' 448' ' ' TYR . 1.1 m -125.65 145.42 50.17 Favored 'General case' 0 N--CA 1.411 -2.414 0 N-CA-C 108.837 -0.801 . . . . 15.0 108.837 179.48 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -111.76 128.67 56.17 Favored 'General case' 0 C--N 1.306 -1.302 0 C-N-CA 119.718 -0.793 . . . . 15.0 110.273 169.089 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -116.31 149.93 38.48 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 115.917 -0.583 . . . . 15.0 110.148 178.148 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 0.626 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 0.1 OUTLIER -122.38 143.38 49.69 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 115.52 -0.763 . . . . 15.0 111.514 178.88 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . 0.623 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 19.6 p -89.77 150.9 22.07 Favored 'General case' 0 C--N 1.31 -1.145 0 N-CA-C 107.072 -1.455 . . . . 15.0 107.072 166.311 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -46.66 -27.47 1.18 Allowed 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 112.771 0.656 . . . . 15.0 112.771 -176.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . 0.584 ' OD2' ' HG3' ' A' ' 444' ' ' LYS . 6.0 p-10 -79.73 -3.26 46.69 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-O 120.867 0.365 . . . . 15.0 111.889 178.826 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.45 30.04 12.91 Favored Glycine 0 CA--C 1.501 -0.791 0 CA-C-N 116.151 -0.477 . . . . 15.0 112.798 170.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.671 ' HD2' ' CZ3' ' A' ' 457' ' ' TRP . 29.8 mtmm -78.58 109.88 13.19 Favored 'General case' 0 CA--C 1.502 -0.873 0 C-N-CA 120.926 -0.31 . . . . 15.0 110.416 171.757 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . 0.523 HG23 ' HD2' ' A' ' 439' ' ' LYS . 23.3 m -94.4 89.43 5.87 Favored 'General case' 0 N--CA 1.436 -1.144 0 N-CA-C 109.231 -0.655 . . . . 15.0 109.231 177.572 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . 0.582 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 10.5 p90 -103.01 148.13 26.08 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.684 -0.689 . . . . 15.0 110.28 173.288 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . 0.469 ' CD2' ' HD3' ' A' ' 460' ' ' PRO . 64.0 m-85 -96.9 113.23 24.76 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.926 0.87 . . . . 15.0 112.02 -173.456 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . 0.861 ' HA ' ' O ' ' A' ' 454' ' ' TYR . 45.9 t80 -112.68 111.15 21.75 Favored 'General case' 0 C--O 1.213 -0.843 0 CA-C-N 114.016 -1.447 . . . . 15.0 108.563 174.818 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 1.035 ' HB3' ' CD1' ' A' ' 454' ' ' TYR . 1.5 t-20 -89.81 146.91 24.11 Favored 'General case' 0 CA--C 1.491 -1.304 0 O-C-N 121.814 -0.554 . . . . 15.0 110.784 -176.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -111.46 1.68 17.09 Favored 'General case' 0 N--CA 1.443 -0.818 0 CA-C-N 115.372 -0.831 . . . . 15.0 112.312 -161.561 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . 0.444 ' NH1' ' HB3' ' A' ' 434' ' ' GLU . 36.3 ttp180 -93.88 -37.44 11.72 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.943 0.877 . . . . 15.0 109.78 171.667 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . 0.425 ' O ' ' HG ' ' A' ' 453' ' ' LEU . 0.1 OUTLIER -127.88 -3.28 5.86 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 114.784 -1.098 . . . . 15.0 110.724 -172.347 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . 0.943 ' HA ' ' O ' ' A' ' 449' ' ' ASN . 0.2 OUTLIER 51.01 93.34 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 122.852 1.311 . . . . 15.0 113.895 176.463 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 454' ' ' TYR . . . . . 1.035 ' CD1' ' HB3' ' A' ' 449' ' ' ASN . 28.5 m-85 -115.81 148.25 40.1 Favored 'General case' 0 CA--C 1.511 -0.554 0 CA-C-N 112.775 -2.011 . . . . 15.0 108.555 -179.682 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 2.4 p -124.03 97.68 5.45 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-O 121.273 0.558 . . . . 15.0 109.915 166.231 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 5.0 t -127.77 123.65 35.81 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 115.773 -0.649 . . . . 15.0 110.78 -178.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.671 ' CZ3' ' HD2' ' A' ' 444' ' ' LYS . 71.5 m95 -76.97 -5.4 48.47 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.652 -0.704 . . . . 15.0 110.842 175.777 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -112.26 143.01 44.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.719 0.295 . . . . 15.0 110.369 -179.299 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . 0.504 ' HA ' ' HD3' ' A' ' 460' ' ' PRO . 38.0 ttmt -60.43 133.4 91.02 Favored Pre-proline 0 CA--C 1.534 0.347 0 CA-C-N 115.633 -0.712 . . . . 15.0 112.194 -173.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . 0.504 ' HD3' ' HA ' ' A' ' 459' ' ' LYS . 19.9 Cg_exo . . . . . 0 C--N 1.346 0.413 0 C-N-CA 123.56 2.84 . . . . 15.0 112.266 178.016 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 434' ' ' GLU . . . . . 0.954 ' HB2' ' HG2' ' A' ' 451' ' ' ARG . 10.8 pt-20 . . . . . 0 CA--C 1.515 -0.391 0 CA-C-O 120.535 0.207 . . . . 15.0 111.468 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.531 ' CD1' ' HG3' ' A' ' 434' ' ' GLU . 52.2 m95 -89.61 148.92 23.07 Favored 'General case' 0 CA--C 1.506 -0.719 0 CA-C-O 120.811 0.339 . . . . 15.0 110.182 -172.054 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.573 ' HB ' ' O ' ' A' ' 448' ' ' TYR . 1.1 m -135.42 149.93 49.74 Favored 'General case' 0 N--CA 1.417 -2.12 0 C-N-CA 120.143 -0.623 . . . . 15.0 109.615 177.246 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . 0.531 ' HB3' ' CD1' ' A' ' 447' ' ' TYR . 0.1 OUTLIER -119.5 136.15 54.46 Favored 'General case' 0 C--N 1.308 -1.202 0 CA-C-O 121.288 0.566 . . . . 15.0 111.178 171.867 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 36.2 m-85 -128.09 150.03 50.14 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.688 -0.687 . . . . 15.0 109.981 178.569 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 0.635 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 3.8 mppt? -111.64 146.85 36.72 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.679 0.752 . . . . 15.0 111.635 175.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . 0.709 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 0.8 OUTLIER -101.66 150.21 23.34 Favored 'General case' 0 C--N 1.306 -1.305 0 CA-C-N 114.012 -1.449 . . . . 15.0 107.682 165.867 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -35.79 -40.62 0.19 Allowed 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 115.549 1.685 . . . . 15.0 115.549 -167.331 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -78.92 4.36 14.4 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 118.431 0.56 . . . . 15.0 111.752 -175.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.48 29.68 13.59 Favored Glycine 0 N--CA 1.448 -0.558 0 CA-C-N 116.048 -0.523 . . . . 15.0 112.381 174.455 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.709 ' HB2' ' OG1' ' A' ' 440' ' ' THR . 61.1 mttp -78.61 110.47 13.76 Favored 'General case' 0 CA--C 1.505 -0.785 0 CA-C-N 115.75 -0.225 . . . . 15.0 110.469 173.427 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 17.3 m -97.27 89.43 4.75 Favored 'General case' 0 N--CA 1.436 -1.126 0 C-N-CA 119.832 -0.747 . . . . 15.0 109.686 176.709 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . 0.516 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 26.2 p90 -95.24 142.04 28.12 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.444 -0.798 . . . . 15.0 109.819 170.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . 0.531 ' CD1' ' HB3' ' A' ' 437' ' ' GLU . 97.5 m-85 -92.47 106.0 18.07 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-O 121.815 0.817 . . . . 15.0 111.682 -174.334 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . 0.874 ' HA ' ' O ' ' A' ' 454' ' ' TYR . 50.1 t80 -98.34 111.5 23.82 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-N 114.361 -1.29 . . . . 15.0 109.118 173.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.999 ' HB3' ' CD1' ' A' ' 454' ' ' TYR . 1.4 t-20 -89.84 147.41 23.79 Favored 'General case' 0 CA--C 1.494 -1.197 0 O-C-N 121.657 -0.652 . . . . 15.0 110.686 -178.763 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -113.35 3.75 16.04 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-N 115.538 -0.756 . . . . 15.0 112.89 -159.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . 0.954 ' HG2' ' HB2' ' A' ' 434' ' ' GLU . 0.9 OUTLIER -98.16 -28.76 13.58 Favored 'General case' 0 CA--C 1.519 -0.246 0 C-N-CA 120.381 -0.528 . . . . 15.0 109.834 171.407 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . 0.667 ' HB ' ' CE1' ' A' ' 454' ' ' TYR . 27.1 m -132.54 -8.84 3.24 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.282 -0.872 . . . . 15.0 110.467 -173.276 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . 0.893 ' HA ' ' O ' ' A' ' 449' ' ' ASN 0.271 1.8 pp 57.26 96.3 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 123.185 1.469 . . . . 15.0 113.971 175.33 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 454' ' ' TYR . . . . . 0.999 ' CD1' ' HB3' ' A' ' 449' ' ' ASN . 29.8 m-85 -120.39 145.58 47.03 Favored 'General case' 0 CA--C 1.509 -0.601 0 CA-C-N 112.651 -2.068 . . . . 15.0 109.091 -177.566 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 4.1 p -119.62 98.61 6.2 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 121.132 0.491 . . . . 15.0 109.931 165.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 2.7 t -123.57 124.31 42.53 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.371 0.605 . . . . 15.0 110.722 179.555 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.516 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 83.7 m95 -80.16 -0.2 35.0 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.384 -0.825 . . . . 15.0 111.229 179.359 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -117.39 144.63 44.76 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.523 -0.547 . . . . 15.0 109.523 179.522 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -75.85 122.52 87.17 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 116.194 -0.457 . . . . 15.0 110.512 -178.35 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo . . . . . 0 C--O 1.234 0.293 0 C-N-CA 122.876 2.384 . . . . 15.0 112.225 -178.764 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 434' ' ' GLU . . . . . 0.538 ' HB2' ' HB3' ' A' ' 451' ' ' ARG . 8.3 pt-20 . . . . . 0 CA--C 1.513 -0.466 0 CA-C-O 121.125 0.488 . . . . 15.0 110.287 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.481 ' CD1' ' HG3' ' A' ' 434' ' ' GLU . 43.2 m95 -89.9 141.7 28.39 Favored 'General case' 0 CA--C 1.504 -0.792 0 CA-C-N 115.553 -0.748 . . . . 15.0 109.837 -174.299 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.685 ' HB ' ' O ' ' A' ' 448' ' ' TYR . 1.1 m -126.97 142.53 51.53 Favored 'General case' 0 N--CA 1.417 -2.083 0 C-N-CA 119.662 -0.815 . . . . 15.0 109.351 -178.337 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -113.62 129.81 56.5 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-O 121.603 0.716 . . . . 15.0 111.031 173.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -123.84 150.16 44.9 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.358 -0.837 . . . . 15.0 110.167 178.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 0.586 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 3.3 mppt? -122.77 148.02 45.83 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-O 121.882 0.849 . . . . 15.0 111.458 172.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . 0.578 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 17.7 p -94.94 150.48 20.12 Favored 'General case' 0 C--N 1.306 -1.324 0 CA-C-N 113.845 -1.525 . . . . 15.0 107.323 166.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -38.54 -33.96 0.12 Allowed 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 114.223 1.194 . . . . 15.0 114.223 -176.281 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . 0.423 ' OD2' ' HG3' ' A' ' 444' ' ' LYS . 8.0 p-10 -78.24 -3.85 44.87 Favored 'General case' 0 N--CA 1.469 0.524 0 O-C-N 122.122 -0.361 . . . . 15.0 111.649 -178.167 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.38 29.9 13.34 Favored Glycine 0 CA--C 1.505 -0.582 0 CA-C-N 116.362 -0.381 . . . . 15.0 112.743 174.008 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.586 ' O ' ' HA ' ' A' ' 439' ' ' LYS . 37.0 mttm -72.5 110.57 6.98 Favored 'General case' 0 CA--C 1.504 -0.815 0 N-CA-C 109.936 -0.394 . . . . 15.0 109.936 171.383 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 18.2 m -93.78 89.21 6.07 Favored 'General case' 0 N--CA 1.434 -1.244 0 C-N-CA 119.088 -1.045 . . . . 15.0 109.017 175.458 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . 0.579 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 4.4 p90 -102.56 141.45 35.36 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.73 -0.668 . . . . 15.0 110.102 171.434 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 68.4 m-85 -96.36 109.81 22.26 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-O 121.63 0.728 . . . . 15.0 111.173 -175.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . 0.831 ' HA ' ' O ' ' A' ' 454' ' ' TYR . 56.2 t80 -104.95 112.57 25.75 Favored 'General case' 0 C--O 1.21 -1.019 0 CA-C-N 114.451 -1.249 . . . . 15.0 108.633 174.776 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 1.045 ' HB3' ' HD1' ' A' ' 454' ' ' TYR . 1.0 OUTLIER -89.57 147.24 24.05 Favored 'General case' 0 CA--C 1.496 -1.128 0 O-C-N 121.804 -0.56 . . . . 15.0 110.455 -178.855 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -110.13 -4.11 15.99 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.522 -0.763 . . . . 15.0 111.61 -163.316 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . 0.538 ' HB3' ' HB2' ' A' ' 434' ' ' GLU . 61.0 ttt180 -88.49 -46.99 8.66 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.557 -0.747 . . . . 15.0 109.829 174.753 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -119.54 -1.75 10.62 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 114.856 -1.065 . . . . 15.0 110.824 -175.433 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . 0.968 ' HA ' ' O ' ' A' ' 449' ' ' ASN . 0.3 OUTLIER 49.27 98.92 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 122.846 1.308 . . . . 15.0 114.327 179.485 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 454' ' ' TYR . . . . . 1.045 ' HD1' ' HB3' ' A' ' 449' ' ' ASN . 55.4 m-85 -121.12 149.38 42.85 Favored 'General case' 0 CA--C 1.51 -0.561 0 CA-C-N 113.11 -1.859 . . . . 15.0 109.112 -179.246 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 11.2 p -122.58 95.09 4.5 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-O 121.412 0.625 . . . . 15.0 109.635 164.662 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 4.6 t -121.84 121.34 36.95 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 115.575 -0.739 . . . . 15.0 110.775 -178.334 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.579 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 60.8 m95 -81.35 -4.95 57.23 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.506 -0.77 . . . . 15.0 109.857 177.01 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -103.21 142.84 33.47 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.608 -0.723 . . . . 15.0 109.85 179.143 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 44.0 tttp -80.72 120.67 79.72 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 116.109 -0.496 . . . . 15.0 110.746 -177.219 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo . . . . . 0 C--O 1.237 0.427 0 C-N-CA 122.615 2.21 . . . . 15.0 111.809 178.506 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 434' ' ' GLU . . . . . 0.544 ' HG3' ' CD1' ' A' ' 435' ' ' TRP . 10.0 pt-20 . . . . . 0 CA--C 1.515 -0.402 0 N-CA-C 112.161 0.43 . . . . 15.0 112.161 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.544 ' CD1' ' HG3' ' A' ' 434' ' ' GLU . 56.8 m95 -89.68 143.38 26.85 Favored 'General case' 0 C--N 1.311 -1.089 0 CA-C-N 116.145 -0.48 . . . . 15.0 110.505 -171.822 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.67 ' HB ' ' O ' ' A' ' 448' ' ' TYR . 1.1 m -122.56 143.81 49.5 Favored 'General case' 0 N--CA 1.413 -2.28 0 N-CA-C 109.004 -0.739 . . . . 15.0 109.004 179.191 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -112.48 132.25 55.17 Favored 'General case' 0 C--N 1.308 -1.204 0 CA-C-O 121.635 0.731 . . . . 15.0 110.971 174.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -128.32 150.37 50.1 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.281 -0.872 . . . . 15.0 110.359 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 0.588 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 0.0 OUTLIER -121.93 146.27 47.29 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-O 121.87 0.843 . . . . 15.0 112.181 176.775 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . 0.639 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 16.1 p -90.37 150.83 21.71 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-N 114.081 -1.418 . . . . 15.0 107.926 164.639 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -45.14 -25.67 0.38 Allowed 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 113.538 0.94 . . . . 15.0 113.538 -178.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . 0.525 ' OD2' ' HG3' ' A' ' 444' ' ' LYS . 6.3 p-10 -83.83 -3.16 57.66 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-O 120.921 0.391 . . . . 15.0 111.576 179.652 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.66 30.01 12.54 Favored Glycine 0 CA--C 1.504 -0.654 0 CA-C-N 116.108 -0.496 . . . . 15.0 112.92 172.485 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.639 ' HB2' ' OG1' ' A' ' 440' ' ' THR . 57.6 mttp -77.42 107.12 9.62 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.971 -0.381 . . . . 15.0 109.971 170.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 23.8 m -92.03 89.25 6.89 Favored 'General case' 0 N--CA 1.439 -1.009 0 C-N-CA 119.479 -0.888 . . . . 15.0 109.116 174.583 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . 0.529 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 21.7 p90 -99.8 146.0 27.08 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.465 -0.789 . . . . 15.0 109.776 172.131 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 -96.31 105.08 17.09 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.821 0.819 . . . . 15.0 111.715 -176.186 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . 0.891 ' HA ' ' O ' ' A' ' 454' ' ' TYR . 50.5 t80 -96.73 108.18 20.78 Favored 'General case' 0 N--CA 1.44 -0.93 0 CA-C-N 114.203 -1.362 . . . . 15.0 109.015 173.801 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 1.009 ' HB3' ' CD1' ' A' ' 454' ' ' TYR . 2.8 t-20 -90.01 146.57 24.26 Favored 'General case' 0 CA--C 1.491 -1.308 0 O-C-N 121.955 -0.466 . . . . 15.0 110.48 -177.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -110.65 4.94 20.59 Favored 'General case' 0 N--CA 1.445 -0.725 0 O-C-N 124.085 0.866 . . . . 15.0 113.208 -156.557 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . 0.445 ' HD3' ' OE1' ' A' ' 434' ' ' GLU . 2.3 ptm180 -104.8 -24.29 12.92 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.196 0.522 . . . . 15.0 110.276 171.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . 0.769 ' HB ' ' CE1' ' A' ' 454' ' ' TYR . 11.8 m -129.2 -14.16 4.36 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.666 -0.697 . . . . 15.0 110.41 -176.395 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . 0.869 ' HA ' ' O ' ' A' ' 449' ' ' ASN 0.303 2.8 pp 58.49 88.59 0.06 Allowed 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 123.465 1.602 . . . . 15.0 113.319 177.576 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 454' ' ' TYR . . . . . 1.009 ' CD1' ' HB3' ' A' ' 449' ' ' ASN . 27.9 m-85 -109.8 142.7 40.69 Favored 'General case' 0 CA--C 1.511 -0.545 0 CA-C-N 112.139 -2.3 . . . . 15.0 109.085 -179.133 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 5.1 p -117.59 97.89 6.11 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.76 -0.459 . . . . 15.0 109.76 165.487 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 5.1 t -125.65 125.14 42.62 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.433 0.635 . . . . 15.0 110.849 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.549 ' CZ3' ' HD3' ' A' ' 444' ' ' LYS . 30.1 m95 -81.01 -2.84 49.6 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.278 -0.874 . . . . 15.0 110.718 177.449 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -112.75 140.22 47.72 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 108.788 -0.819 . . . . 15.0 108.788 176.323 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -68.56 125.6 91.89 Favored Pre-proline 0 C--N 1.324 -0.538 0 N-CA-C 110.049 -0.352 . . . . 15.0 110.049 -179.061 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . 0.416 ' HG3' ' CE3' ' A' ' 435' ' ' TRP . 11.0 Cg_endo . . . . . 0 C--O 1.234 0.288 0 C-N-CA 123.028 2.485 . . . . 15.0 112.43 177.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 434' ' ' GLU . . . . . 0.489 ' OE1' ' HD3' ' A' ' 451' ' ' ARG . 11.5 pt-20 . . . . . 0 CA--C 1.515 -0.377 0 CA-C-O 121.088 0.47 . . . . 15.0 110.911 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.59 ' HA ' ' HB2' ' A' ' 449' ' ' ASN . 52.3 m95 -89.67 138.02 31.83 Favored 'General case' 0 CA--C 1.502 -0.877 0 N-CA-C 108.744 -0.836 . . . . 15.0 108.744 -176.615 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.621 ' HB ' ' O ' ' A' ' 448' ' ' TYR . 1.1 m -121.12 113.79 20.52 Favored 'General case' 0 N--CA 1.417 -2.078 0 C-N-CA 118.897 -1.121 . . . . 15.0 110.198 -174.532 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.98 128.98 36.36 Favored 'General case' 0 C--N 1.312 -1.064 0 C-N-CA 118.876 -1.129 . . . . 15.0 111.275 -176.609 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -118.95 150.18 40.36 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.176 -0.92 . . . . 15.0 110.137 179.394 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 0.61 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 2.4 mppt? -121.91 147.83 45.52 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.734 0.778 . . . . 15.0 111.489 176.51 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . 0.471 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 81.2 p -90.03 150.91 21.9 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-N 114.149 -1.387 . . . . 15.0 107.661 167.384 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -46.94 -24.27 0.58 Allowed 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 112.85 0.685 . . . . 15.0 112.85 177.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . 0.42 ' OD2' ' HG3' ' A' ' 444' ' ' LYS . 6.5 p-10 -89.9 -0.56 57.64 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-O 121.062 0.458 . . . . 15.0 111.443 178.068 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.88 29.85 12.35 Favored Glycine 0 CA--C 1.504 -0.618 0 CA-C-N 116.09 -0.504 . . . . 15.0 112.937 170.26 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.61 ' O ' ' HA ' ' A' ' 439' ' ' LYS . 59.7 mttp -73.93 107.95 6.46 Favored 'General case' 0 CA--C 1.503 -0.854 0 N-CA-C 109.68 -0.489 . . . . 15.0 109.68 169.58 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 23.5 m -93.77 89.35 6.13 Favored 'General case' 0 N--CA 1.437 -1.118 0 C-N-CA 119.479 -0.888 . . . . 15.0 109.033 175.091 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . 0.589 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 7.2 p90 -102.85 145.52 29.67 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.237 -0.892 . . . . 15.0 110.066 172.497 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -98.57 117.79 33.8 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.473 0.654 . . . . 15.0 111.929 -174.255 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . 0.902 ' HA ' ' O ' ' A' ' 454' ' ' TYR . 54.7 t80 -115.16 106.51 14.16 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.663 -1.153 . . . . 15.0 109.261 174.655 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 1.025 ' HB3' ' CD1' ' A' ' 454' ' ' TYR . 1.5 t-20 -89.66 147.38 23.92 Favored 'General case' 0 CA--C 1.492 -1.275 0 O-C-N 122.298 -0.251 . . . . 15.0 110.535 -173.556 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . 0.405 ' ND2' ' OG1' ' A' ' 436' ' ' THR . 9.2 p30 -109.92 3.8 20.91 Favored 'General case' 0 N--CA 1.447 -0.6 0 N-CA-C 113.337 0.866 . . . . 15.0 113.337 -158.594 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . 0.489 ' HD3' ' OE1' ' A' ' 434' ' ' GLU . 8.0 ptm180 -103.45 -27.46 12.38 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.382 0.611 . . . . 15.0 110.265 172.164 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . 0.787 ' HB ' ' CE1' ' A' ' 454' ' ' TYR . 13.3 m -127.58 -8.93 5.66 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.504 -0.771 . . . . 15.0 110.352 -176.809 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . 0.904 ' HA ' ' O ' ' A' ' 449' ' ' ASN 0.262 0.3 OUTLIER 53.6 89.16 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 122.92 1.343 . . . . 15.0 113.372 176.602 . . . . . . . . 4 4 . 1 . 015 nuclear nobuild core ' A' A ' 454' ' ' TYR . . . . . 1.025 ' CD1' ' HB3' ' A' ' 449' ' ' ASN . 29.6 m-85 -110.5 147.07 34.86 Favored 'General case' 0 CA--C 1.508 -0.645 0 CA-C-N 112.436 -2.165 . . . . 15.0 108.769 -179.451 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 3.7 p -125.56 103.18 7.73 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 109.637 -0.505 . . . . 15.0 109.637 165.481 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 8.7 t -136.86 127.15 26.44 Favored 'General case' 0 N--CA 1.441 -0.89 0 CA-C-O 121.669 0.747 . . . . 15.0 111.557 -179.45 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.589 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 24.1 m95 -77.75 -0.37 26.73 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.962 -1.017 . . . . 15.0 110.355 173.169 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -104.0 124.84 49.75 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.227 -0.442 . . . . 15.0 110.029 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . 0.407 ' HA ' ' HD2' ' A' ' 460' ' ' PRO . 8.6 ttmm -63.31 116.93 29.05 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 115.896 -0.593 . . . . 15.0 110.505 179.546 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 459' ' ' LYS . 30.7 Cg_endo . . . . . 0 CA--C 1.528 0.224 0 C-N-CA 122.818 2.345 . . . . 15.0 112.132 178.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 434' ' ' GLU . . . . . 0.712 ' HB2' ' HG2' ' A' ' 451' ' ' ARG . 8.6 pt-20 . . . . . 0 CA--C 1.515 -0.387 0 CA-C-O 120.805 0.336 . . . . 15.0 111.729 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.46 ' CD1' ' HG3' ' A' ' 434' ' ' GLU . 34.0 m95 -89.81 133.31 34.79 Favored 'General case' 0 CA--C 1.5 -0.953 0 CA-C-N 116.096 -0.502 . . . . 15.0 109.705 -174.323 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.747 ' HB ' ' O ' ' A' ' 448' ' ' TYR . 1.1 m -114.17 138.09 50.9 Favored 'General case' 0 N--CA 1.413 -2.304 0 N-CA-C 108.525 -0.917 . . . . 15.0 108.525 -176.51 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -112.0 130.28 55.91 Favored 'General case' 0 C--N 1.305 -1.343 0 CA-C-O 121.748 0.785 . . . . 15.0 110.565 176.654 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -128.71 150.14 50.39 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 114.917 -1.038 . . . . 15.0 109.93 -177.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 0.527 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 8.6 mptt -113.94 144.51 42.95 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-O 122.159 0.98 . . . . 15.0 112.18 173.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . 0.623 HG23 ' CE1' ' A' ' 446' ' ' TYR . 10.5 p -90.31 150.69 21.81 Favored 'General case' 0 C--N 1.306 -1.308 0 CA-C-N 113.543 -1.662 . . . . 15.0 107.864 169.08 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -51.42 -22.87 3.29 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.785 0.661 . . . . 15.0 112.785 -177.043 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -86.11 -0.32 55.35 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-O 120.767 0.318 . . . . 15.0 111.269 179.204 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.45 30.33 12.31 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 121.284 -0.484 . . . . 15.0 112.889 169.492 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.61 ' HB2' ' OG1' ' A' ' 440' ' ' THR . 45.0 mmtm -82.82 127.76 33.78 Favored 'General case' 0 CA--C 1.494 -1.187 0 N-CA-C 109.839 -0.43 . . . . 15.0 109.839 169.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . 0.49 HG23 ' HE3' ' A' ' 439' ' ' LYS . 21.9 m -94.38 89.23 5.8 Favored 'General case' 0 N--CA 1.429 -1.52 0 C-N-CA 118.474 -1.29 . . . . 15.0 107.867 166.787 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . 0.623 ' CE1' HG23 ' A' ' 440' ' ' THR . 5.1 p90 -96.07 144.19 26.55 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.757 -0.656 . . . . 15.0 110.377 170.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -100.95 116.89 33.87 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-O 121.545 0.688 . . . . 15.0 111.39 -175.66 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . 0.852 ' HA ' ' O ' ' A' ' 454' ' ' TYR . 80.3 t80 -113.79 110.58 20.38 Favored 'General case' 0 C--O 1.211 -0.932 0 CA-C-N 114.609 -1.178 . . . . 15.0 109.05 174.746 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 1.097 ' HB3' ' HD1' ' A' ' 454' ' ' TYR . 2.5 t-20 -89.86 149.53 22.61 Favored 'General case' 0 CA--C 1.493 -1.245 0 O-C-N 121.811 -0.556 . . . . 15.0 110.165 -178.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -114.62 1.03 14.12 Favored 'General case' 0 N--CA 1.439 -0.994 0 CA-C-N 115.352 -0.84 . . . . 15.0 113.25 -157.603 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . 0.712 ' HG2' ' HB2' ' A' ' 434' ' ' GLU . 2.3 ptm180 -107.7 -28.54 9.65 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.371 -0.532 . . . . 15.0 110.704 173.535 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . 0.642 ' HB ' ' CE1' ' A' ' 454' ' ' TYR . 4.7 m -122.83 -6.73 8.49 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.981 -0.554 . . . . 15.0 109.554 179.571 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . 0.972 ' HA ' ' O ' ' A' ' 449' ' ' ASN . 0.3 OUTLIER 50.62 102.45 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 122.844 1.307 . . . . 15.0 114.284 176.655 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 454' ' ' TYR . . . . . 1.097 ' HD1' ' HB3' ' A' ' 449' ' ' ASN . 26.2 m-85 -124.7 145.44 49.68 Favored 'General case' 0 C--O 1.22 -0.463 0 CA-C-N 112.821 -1.99 . . . . 15.0 108.411 -178.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 4.4 p -124.71 96.87 5.05 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-O 121.492 0.663 . . . . 15.0 110.072 167.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 4.2 t -128.86 120.24 25.88 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.707 -0.679 . . . . 15.0 111.309 -177.355 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.53 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 20.8 m95 -74.41 -9.47 58.62 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.768 -0.651 . . . . 15.0 110.142 174.671 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -101.42 133.04 46.66 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.502 -0.772 . . . . 15.0 110.032 -177.666 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 23.2 ttmm -67.69 121.08 77.85 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 116.044 -0.525 . . . . 15.0 111.125 -178.231 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . 0.411 ' HG3' ' CZ3' ' A' ' 435' ' ' TRP . 96.1 Cg_endo . . . . . 0 C--N 1.346 0.4 0 C-N-CA 123.216 2.611 . . . . 15.0 112.97 -178.194 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 434' ' ' GLU . . . . . 0.588 ' HB2' ' HG2' ' A' ' 451' ' ' ARG . 6.4 pt-20 . . . . . 0 CA--C 1.511 -0.522 0 CA-C-O 120.893 0.378 . . . . 15.0 110.704 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.514 ' HA ' ' HB2' ' A' ' 449' ' ' ASN . 43.4 m95 -89.51 141.45 28.56 Favored 'General case' 0 CA--C 1.501 -0.918 0 CA-C-N 115.785 -0.643 . . . . 15.0 109.476 -175.386 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.682 ' HB ' ' O ' ' A' ' 448' ' ' TYR . 1.1 m -124.99 142.42 51.5 Favored 'General case' 0 N--CA 1.414 -2.249 0 C-N-CA 119.643 -0.823 . . . . 15.0 109.108 -178.315 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -110.34 131.22 55.24 Favored 'General case' 0 C--N 1.308 -1.199 0 C-N-CA 119.62 -0.832 . . . . 15.0 110.437 172.693 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -127.48 150.28 49.73 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.498 -0.774 . . . . 15.0 110.267 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 0.55 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 0.0 OUTLIER -121.0 142.1 50.11 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-O 121.784 0.802 . . . . 15.0 111.532 175.813 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . 0.695 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 6.0 p -90.17 150.89 21.82 Favored 'General case' 0 C--N 1.308 -1.228 0 CA-C-N 114.086 -1.415 . . . . 15.0 107.452 166.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -45.42 -24.9 0.35 Allowed 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 113.95 1.093 . . . . 15.0 113.95 -174.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . 0.458 ' OD2' ' HG3' ' A' ' 444' ' ' LYS . 8.0 p-10 -83.8 -2.51 56.51 Favored 'General case' 0 CA--C 1.534 0.336 0 O-C-N 121.938 -0.476 . . . . 15.0 111.303 179.829 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.28 29.77 13.86 Favored Glycine 0 CA--C 1.505 -0.566 0 CA-C-N 116.074 -0.512 . . . . 15.0 112.597 172.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.695 ' HB2' ' OG1' ' A' ' 440' ' ' THR . 95.0 mttt -76.86 106.53 8.59 Favored 'General case' 0 CA--C 1.503 -0.84 0 N-CA-C 110.054 -0.35 . . . . 15.0 110.054 172.096 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 17.9 m -90.68 89.23 7.43 Favored 'General case' 0 N--CA 1.434 -1.243 0 C-N-CA 119.6 -0.84 . . . . 15.0 109.055 175.05 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . 0.561 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 24.7 p90 -104.06 150.02 24.67 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 115.419 -0.81 . . . . 15.0 109.84 172.356 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -101.71 104.77 15.6 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-O 121.804 0.811 . . . . 15.0 111.637 -173.267 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . 0.856 ' HA ' ' O ' ' A' ' 454' ' ' TYR . 53.6 t80 -101.07 111.13 23.26 Favored 'General case' 0 C--O 1.215 -0.756 0 CA-C-N 114.245 -1.343 . . . . 15.0 108.966 175.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 1.055 ' HB3' ' HD1' ' A' ' 454' ' ' TYR . 1.3 t-20 -89.6 148.09 23.55 Favored 'General case' 0 CA--C 1.49 -1.341 0 O-C-N 122.108 -0.37 . . . . 15.0 110.599 -177.775 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -112.23 4.44 17.8 Favored 'General case' 0 N--CA 1.447 -0.6 0 O-C-N 123.92 0.762 . . . . 15.0 113.018 -158.66 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . 0.588 ' HG2' ' HB2' ' A' ' 434' ' ' GLU . 3.5 ptt180 -100.01 -32.55 10.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.354 0.597 . . . . 15.0 109.621 171.149 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . 0.73 ' HB ' ' CE1' ' A' ' 454' ' ' TYR . 10.6 m -123.53 -11.46 7.82 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.218 -0.901 . . . . 15.0 110.38 -174.83 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . 0.935 ' HA ' ' O ' ' A' ' 449' ' ' ASN . 0.4 OUTLIER 54.38 86.63 0.05 OUTLIER 'General case' 0 CA--C 1.518 -0.257 0 CA-C-O 122.865 1.317 . . . . 15.0 113.085 179.764 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 454' ' ' TYR . . . . . 1.055 ' HD1' ' HB3' ' A' ' 449' ' ' ASN . 39.5 m-85 -104.73 142.74 34.16 Favored 'General case' 0 CA--C 1.505 -0.779 0 CA-C-N 112.813 -1.994 . . . . 15.0 108.842 179.046 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 3.5 p -118.98 96.86 5.42 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-O 121.123 0.487 . . . . 15.0 109.704 169.333 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 3.4 t -128.42 122.07 30.49 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.464 0.65 . . . . 15.0 110.554 178.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.615 ' CZ3' ' HD3' ' A' ' 444' ' ' LYS . 76.1 m95 -79.94 -5.63 55.99 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.214 -0.903 . . . . 15.0 111.208 -178.577 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -117.12 141.57 48.1 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.856 -0.424 . . . . 15.0 109.856 179.279 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -65.78 123.04 83.72 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 115.65 -0.705 . . . . 15.0 111.299 -174.332 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo . . . . . 0 C--N 1.342 0.23 0 C-N-CA 123.17 2.58 . . . . 15.0 112.596 -178.032 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 434' ' ' GLU . . . . . 0.416 ' HB2' ' HG2' ' A' ' 451' ' ' ARG . 7.9 pt-20 . . . . . 0 CA--C 1.51 -0.591 0 CA-C-O 121.179 0.514 . . . . 15.0 111.246 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.496 ' HA ' ' HB2' ' A' ' 449' ' ' ASN . 29.1 m95 -89.62 135.68 33.47 Favored 'General case' 0 N--CA 1.438 -1.068 0 CA-C-N 115.613 -0.721 . . . . 15.0 109.521 -174.656 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.752 ' HB ' ' O ' ' A' ' 448' ' ' TYR . 1.1 m -115.57 145.5 42.6 Favored 'General case' 0 N--CA 1.415 -2.207 0 N-CA-C 108.238 -1.023 . . . . 15.0 108.238 -173.116 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -115.16 150.82 35.45 Favored 'General case' 0 C--N 1.302 -1.5 0 C-N-CA 119.15 -1.02 . . . . 15.0 113.236 173.227 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -149.57 149.99 31.56 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-N 113.65 -1.614 . . . . 15.0 109.35 -173.454 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 0.533 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 0.0 OUTLIER -117.17 144.76 44.39 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-O 121.917 0.865 . . . . 15.0 111.727 175.013 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . 0.624 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 1.3 p -99.31 150.33 22.23 Favored 'General case' 0 C--N 1.304 -1.391 0 CA-C-N 113.901 -1.499 . . . . 15.0 108.019 168.239 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -60.48 -7.99 2.47 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 113.104 0.779 . . . . 15.0 113.104 -171.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -88.72 -2.02 58.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.073 0.463 . . . . 15.0 110.272 176.415 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.45 29.88 13.25 Favored Glycine 0 N--CA 1.449 -0.498 0 CA-C-N 115.895 -0.593 . . . . 15.0 112.665 173.05 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.738 ' HA ' ' HE2' ' A' ' 444' ' ' LYS . 9.7 mmpt? -85.39 130.4 34.6 Favored 'General case' 0 CA--C 1.497 -1.067 0 N-CA-C 110.103 -0.332 . . . . 15.0 110.103 169.545 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 58.8 m -102.5 89.14 3.44 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 107.563 -1.273 . . . . 15.0 107.563 163.639 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . 0.494 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 13.7 p90 -94.72 148.17 22.55 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.391 -0.822 . . . . 15.0 110.361 175.075 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -99.71 116.15 31.14 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.469 0.652 . . . . 15.0 110.908 -175.188 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . 0.893 ' HA ' ' O ' ' A' ' 454' ' ' TYR . 49.8 t80 -117.51 110.99 18.65 Favored 'General case' 0 C--O 1.206 -1.197 0 CA-C-N 114.674 -1.148 . . . . 15.0 108.879 178.342 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 1.032 ' HB3' ' CD1' ' A' ' 454' ' ' TYR . 2.5 t-20 -89.71 147.97 23.55 Favored 'General case' 0 C--O 1.206 -1.228 0 O-C-N 121.966 -0.459 . . . . 15.0 110.878 -176.191 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -107.63 -5.68 17.34 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 113.505 0.928 . . . . 15.0 113.505 -158.758 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . 0.416 ' HG2' ' HB2' ' A' ' 434' ' ' GLU . 7.8 ptm180 -99.13 -20.78 16.48 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.092 -0.643 . . . . 15.0 110.613 176.252 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . 0.764 ' HB ' ' CE1' ' A' ' 454' ' ' TYR . 4.4 m -132.36 -10.9 3.24 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.604 -0.725 . . . . 15.0 110.258 -178.185 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . 0.897 ' HA ' ' O ' ' A' ' 449' ' ' ASN 0.264 1.4 pp 54.96 92.63 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 123.269 1.509 . . . . 15.0 113.666 176.146 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 454' ' ' TYR . . . . . 1.032 ' CD1' ' HB3' ' A' ' 449' ' ' ASN . 31.6 m-85 -114.43 136.65 52.77 Favored 'General case' 0 CA--C 1.504 -0.802 0 CA-C-N 112.354 -2.203 . . . . 15.0 108.942 -177.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 3.8 p -111.36 101.28 9.75 Favored 'General case' 0 C--N 1.315 -0.921 0 N-CA-C 109.734 -0.469 . . . . 15.0 109.734 167.577 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 7.4 t -135.41 124.81 24.83 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.739 0.781 . . . . 15.0 111.061 178.445 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.494 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 27.1 m95 -77.75 -7.14 56.13 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.892 -1.049 . . . . 15.0 110.984 178.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -102.62 138.22 39.82 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.185 -0.461 . . . . 15.0 109.916 178.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . 0.465 ' HA ' ' HD2' ' A' ' 460' ' ' PRO . 66.9 tttt -70.97 121.24 83.5 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 115.909 -0.587 . . . . 15.0 110.386 -177.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . 0.465 ' HD2' ' HA ' ' A' ' 459' ' ' LYS . 11.1 Cg_endo . . . . . 0 C--N 1.342 0.2 0 C-N-CA 123.138 2.559 . . . . 15.0 111.317 177.103 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 434' ' ' GLU . . . . . 0.463 ' HG3' ' CD1' ' A' ' 435' ' ' TRP . 9.1 pt-20 . . . . . 0 CA--C 1.512 -0.492 0 CA-C-O 120.793 0.33 . . . . 15.0 111.217 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.463 ' CD1' ' HG3' ' A' ' 434' ' ' GLU . 42.6 m95 -89.61 138.1 31.76 Favored 'General case' 0 CA--C 1.502 -0.904 0 CA-C-N 116.243 -0.435 . . . . 15.0 109.926 -174.732 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.728 ' HB ' ' O ' ' A' ' 448' ' ' TYR . 1.1 m -122.85 137.05 55.04 Favored 'General case' 0 N--CA 1.414 -2.273 0 N-CA-C 108.752 -0.832 . . . . 15.0 108.752 -177.152 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . 0.403 ' O ' ' HG2' ' A' ' 437' ' ' GLU . 1.1 pm0 -109.99 130.49 55.52 Favored 'General case' 0 C--N 1.307 -1.268 0 C-N-CA 119.757 -0.777 . . . . 15.0 110.399 174.642 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -123.03 150.22 43.35 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.217 -0.901 . . . . 15.0 109.936 178.396 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 0.651 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 37.3 ttpt -128.53 133.69 48.47 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-N 115.448 -0.796 . . . . 15.0 110.363 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . 0.689 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 9.6 p -89.93 145.92 24.77 Favored 'General case' 0 N--CA 1.436 -1.161 0 N-CA-C 104.888 -2.264 . . . . 15.0 104.888 165.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -65.77 -2.31 3.6 Favored 'General case' 0 C--N 1.308 -1.229 0 N-CA-C 113.121 0.786 . . . . 15.0 113.121 -165.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -84.91 0.99 49.24 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.525 0.679 . . . . 15.0 109.317 171.069 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.71 30.23 12.03 Favored Glycine 0 N--CA 1.443 -0.85 0 CA-C-N 114.976 -1.011 . . . . 15.0 112.997 171.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.689 ' HB2' ' OG1' ' A' ' 440' ' ' THR . 46.7 mttm -86.72 100.41 12.46 Favored 'General case' 0 C--N 1.315 -0.896 0 N-CA-C 109.95 -0.389 . . . . 15.0 109.95 171.68 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 17.3 m -91.95 89.28 6.93 Favored 'General case' 0 N--CA 1.439 -0.992 0 C-N-CA 119.322 -0.951 . . . . 15.0 108.908 172.231 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . 0.474 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 11.1 p90 -96.11 141.36 29.59 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.004 -0.998 . . . . 15.0 109.832 173.233 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 -96.92 109.43 22.16 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-O 121.799 0.809 . . . . 15.0 111.54 -173.584 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . 0.787 ' HA ' ' O ' ' A' ' 454' ' ' TYR . 43.3 t80 -107.48 112.17 24.81 Favored 'General case' 0 C--O 1.212 -0.915 0 CA-C-N 114.308 -1.315 . . . . 15.0 108.563 175.651 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 1.093 ' HB3' ' HD1' ' A' ' 454' ' ' TYR . 1.3 t-20 -89.92 145.72 24.92 Favored 'General case' 0 C--N 1.311 -1.086 0 O-C-N 121.813 -0.554 . . . . 15.0 110.583 -178.58 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -108.09 1.69 22.5 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 114.974 -1.012 . . . . 15.0 111.468 -163.253 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 73.1 ttt180 -94.11 -64.31 1.09 Allowed 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.346 -0.843 . . . . 15.0 109.234 174.349 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . 0.402 ' C ' ' HG ' ' A' ' 453' ' ' LEU . 0.0 OUTLIER -98.47 -3.9 35.65 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 114.597 -1.183 . . . . 15.0 110.697 -177.56 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . 0.97 ' HA ' ' O ' ' A' ' 449' ' ' ASN 0.258 2.3 pp 49.46 98.82 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 123.283 1.516 . . . . 15.0 114.239 179.866 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 454' ' ' TYR . . . . . 1.093 ' HD1' ' HB3' ' A' ' 449' ' ' ASN . 34.7 m-85 -120.27 150.14 41.18 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 112.631 -2.077 . . . . 15.0 108.305 -178.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 13.8 p -126.08 95.82 4.53 Favored 'General case' 0 C--N 1.315 -0.926 0 C-N-CA 119.782 -0.767 . . . . 15.0 109.636 162.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 6.0 t -118.83 122.34 42.14 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.538 -0.755 . . . . 15.0 110.894 -177.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.474 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 67.1 m95 -81.13 0.1 37.76 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.11 -0.95 . . . . 15.0 110.555 177.07 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -114.41 134.45 54.98 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.962 -0.563 . . . . 15.0 110.095 178.114 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 33.0 tttp -62.22 122.86 75.55 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 115.454 -0.794 . . . . 15.0 111.143 -177.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo . . . . . 0 CA--C 1.529 0.267 0 C-N-CA 122.977 2.451 . . . . 15.0 111.761 179.428 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 434' ' ' GLU . . . . . 0.465 ' HB2' ' HG2' ' A' ' 451' ' ' ARG . 1.4 pm0 . . . . . 0 CA--C 1.514 -0.438 0 CA-C-O 120.798 0.332 . . . . 15.0 111.691 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.457 ' CD1' ' HG2' ' A' ' 434' ' ' GLU . 53.5 m95 -89.64 144.76 25.74 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 116.326 -0.397 . . . . 15.0 110.518 -172.663 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.693 ' HB ' ' O ' ' A' ' 448' ' ' TYR . 1.1 m -123.67 144.18 49.79 Favored 'General case' 0 N--CA 1.417 -2.076 0 C-N-CA 119.888 -0.725 . . . . 15.0 109.496 179.807 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -113.35 132.08 55.72 Favored 'General case' 0 C--N 1.31 -1.138 0 CA-C-O 121.406 0.622 . . . . 15.0 111.201 177.234 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 46.8 m-85 -126.75 150.08 49.28 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.617 -0.72 . . . . 15.0 110.046 177.105 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 0.699 ' HE3' HG23 ' A' ' 445' ' ' THR . 4.2 mptt -121.41 150.15 41.95 Favored 'General case' 0 CA--C 1.504 -0.808 0 CA-C-O 122.297 1.046 . . . . 15.0 112.147 175.334 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . 0.494 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 71.5 p -93.78 150.83 20.06 Favored 'General case' 0 C--N 1.307 -1.26 0 CA-C-N 113.243 -1.799 . . . . 15.0 107.91 169.337 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -50.98 -22.51 2.32 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 112.533 0.568 . . . . 15.0 112.533 177.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . 0.454 ' OD2' ' HG3' ' A' ' 444' ' ' LYS . 3.4 p-10 -87.86 -0.42 56.95 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 120.959 0.409 . . . . 15.0 111.171 178.122 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.61 30.04 12.57 Favored Glycine 0 N--CA 1.448 -0.524 0 CA-C-N 115.995 -0.548 . . . . 15.0 113.045 171.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.598 ' O ' ' HA ' ' A' ' 439' ' ' LYS . 62.4 mttp -77.49 115.63 17.41 Favored 'General case' 0 CA--C 1.504 -0.812 0 N-CA-C 110.321 -0.251 . . . . 15.0 110.321 171.327 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . 0.699 HG23 ' HE3' ' A' ' 439' ' ' LYS . 17.4 m -99.81 89.42 4.09 Favored 'General case' 0 N--CA 1.435 -1.207 0 C-N-CA 119.952 -0.699 . . . . 15.0 109.132 174.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . 0.628 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 17.3 p90 -104.21 145.4 30.26 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.395 -0.82 . . . . 15.0 110.107 173.649 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -101.52 108.86 20.55 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 121.581 0.705 . . . . 15.0 111.502 -175.255 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . 0.847 ' HA ' ' O ' ' A' ' 454' ' ' TYR . 39.2 t80 -101.88 110.21 22.14 Favored 'General case' 0 C--O 1.213 -0.846 0 CA-C-N 114.55 -1.204 . . . . 15.0 108.69 175.156 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 1.014 ' HB3' ' CD1' ' A' ' 454' ' ' TYR . 2.0 t-20 -90.02 147.56 23.6 Favored 'General case' 0 C--O 1.206 -1.215 0 O-C-N 122.015 -0.428 . . . . 15.0 110.793 -176.498 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 7.6 p30 -110.28 0.34 18.04 Favored 'General case' 0 N--CA 1.445 -0.703 0 N-CA-C 113.26 0.837 . . . . 15.0 113.26 -160.418 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . 0.482 ' HG3' ' OG1' ' A' ' 452' ' ' THR . 14.3 ptt180 -95.12 -30.82 13.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.457 0.646 . . . . 15.0 109.99 172.563 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . 0.759 ' HB ' ' CE1' ' A' ' 454' ' ' TYR . 21.9 m -129.93 -8.02 4.44 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.195 -0.911 . . . . 15.0 110.3 -173.697 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . 0.909 ' HA ' ' O ' ' A' ' 449' ' ' ASN . 0.3 OUTLIER 54.76 91.36 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 122.751 1.263 . . . . 15.0 113.129 176.74 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 454' ' ' TYR . . . . . 1.014 ' CD1' ' HB3' ' A' ' 449' ' ' ASN . 16.7 m-85 -113.03 149.42 33.39 Favored 'General case' 0 CA--C 1.51 -0.568 0 CA-C-N 112.933 -1.939 . . . . 15.0 108.427 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 5.1 p -125.98 97.33 5.07 Favored 'General case' 0 C--N 1.313 -0.981 0 N-CA-C 109.465 -0.568 . . . . 15.0 109.465 167.25 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 4.8 t -126.96 124.3 39.16 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.767 -0.651 . . . . 15.0 111.094 -179.283 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.628 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 24.6 m95 -77.29 -7.02 55.29 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.328 -0.851 . . . . 15.0 109.961 173.616 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -103.15 140.85 36.8 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.201 -0.666 . . . . 15.0 109.201 -178.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . 0.46 ' HA ' ' HD2' ' A' ' 460' ' ' PRO . 37.9 ttpt -75.72 123.47 88.37 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-O 120.813 0.339 . . . . 15.0 111.686 -173.113 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . 0.46 ' HD2' ' HA ' ' A' ' 459' ' ' LYS . 19.2 Cg_endo . . . . . 0 CA--C 1.531 0.369 0 C-N-CA 123.419 2.746 . . . . 15.0 112.797 178.029 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.818 0 N-CA-C 112.089 -0.405 . . . . 15.0 112.089 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . 0.436 ' HB2' ' HA ' ' A' ' 462' ' ' GLU . . . -77.43 76.36 3.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.134 0.493 . . . . 15.0 111.462 -177.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 3.6 m -120.64 21.76 11.42 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.844 -0.616 . . . . 15.0 109.5 177.231 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . 61.84 92.7 0.05 Allowed 'General case' 0 C--O 1.232 0.147 0 CA-C-N 115.35 -0.841 . . . . 15.0 111.092 -176.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . 0.611 ' HB ' ' HG2' ' A' ' 434' ' ' GLU . 15.7 m -117.52 134.27 61.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.829 -0.623 . . . . 15.0 111.176 -177.512 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 44.4 t -90.05 3.21 53.95 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.909 -0.587 . . . . 15.0 110.783 -179.194 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . 0.729 ' HB2' ' HG2' ' A' ' 451' ' ' ARG . 10.0 pt-20 -68.85 -26.75 65.31 Favored 'General case' 0 CA--C 1.51 -0.572 0 CA-C-O 121.015 0.435 . . . . 15.0 111.068 178.663 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.51 ' HA ' ' HB2' ' A' ' 449' ' ' ASN . 31.2 m95 -89.63 139.84 30.15 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.668 -0.696 . . . . 15.0 109.368 -176.596 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.754 ' HB ' ' O ' ' A' ' 448' ' ' TYR . 1.1 m -120.58 140.26 51.78 Favored 'General case' 0 N--CA 1.413 -2.312 0 C-N-CA 119.382 -0.927 . . . . 15.0 109.315 -178.233 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -108.29 130.92 55.16 Favored 'General case' 0 C--N 1.309 -1.165 0 C-N-CA 119.835 -0.746 . . . . 15.0 111.101 173.778 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -122.97 150.06 43.47 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.978 -0.556 . . . . 15.0 110.132 177.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 0.97 ' HE3' ' HA2' ' A' ' 443' ' ' GLY . 31.4 tttp -121.93 142.18 50.55 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 116.079 -0.51 . . . . 15.0 109.84 176.256 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . 0.699 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 3.0 p -98.8 147.36 24.99 Favored 'General case' 0 N--CA 1.435 -1.193 0 N-CA-C 105.3 -2.111 . . . . 15.0 105.3 164.234 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -69.56 0.04 5.96 Favored 'General case' 0 C--N 1.317 -0.814 0 C-N-CA 120.008 -0.677 . . . . 15.0 112.286 -166.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -83.4 0.43 46.09 Favored 'General case' 0 C--N 1.333 -0.128 0 N-CA-C 108.903 -0.777 . . . . 15.0 108.903 171.348 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . 0.97 ' HA2' ' HE3' ' A' ' 439' ' ' LYS . . . 90.05 30.07 13.65 Favored Glycine 0 N--CA 1.439 -1.117 0 CA-C-N 114.888 -1.051 . . . . 15.0 112.544 174.394 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.699 ' HB2' ' OG1' ' A' ' 440' ' ' THR . 29.5 mtmm -96.34 107.19 19.53 Favored 'General case' 0 CA--C 1.498 -1.026 0 CA-C-O 120.956 0.408 . . . . 15.0 110.79 173.71 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 1.8 m -100.47 89.27 3.89 Favored 'General case' 0 C--N 1.309 -1.157 0 N-CA-C 108.673 -0.862 . . . . 15.0 108.673 176.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . 0.611 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 10.8 p90 -98.5 149.19 22.98 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.44 -0.8 . . . . 15.0 110.637 176.014 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -97.55 116.11 29.14 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.795 0.807 . . . . 15.0 111.744 -175.085 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . 0.916 ' HA ' ' O ' ' A' ' 454' ' ' TYR . 71.4 t80 -112.34 111.21 21.91 Favored 'General case' 0 N--CA 1.44 -0.927 0 CA-C-N 114.346 -1.297 . . . . 15.0 108.572 173.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 1.082 ' HB3' ' HD1' ' A' ' 454' ' ' TYR . 1.3 t-20 -89.62 146.66 24.39 Favored 'General case' 0 CA--C 1.493 -1.248 0 O-C-N 122.03 -0.419 . . . . 15.0 110.093 -177.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -110.02 2.12 19.41 Favored 'General case' 0 N--CA 1.441 -0.88 0 N-CA-C 113.298 0.851 . . . . 15.0 113.298 -158.206 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 0.729 ' HG2' ' HB2' ' A' ' 434' ' ' GLU . 3.8 ptm180 -105.64 -25.72 12.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.144 0.497 . . . . 15.0 110.636 173.483 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . 0.673 ' HB ' ' CE1' ' A' ' 454' ' ' TYR . 4.1 m -125.44 -10.3 6.89 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.748 -0.66 . . . . 15.0 109.926 -178.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . 0.903 ' HA ' ' O ' ' A' ' 449' ' ' ASN 0.262 2.5 pp 53.45 93.1 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 123.446 1.593 . . . . 15.0 113.804 177.514 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 454' ' ' TYR . . . . . 1.082 ' HD1' ' HB3' ' A' ' 449' ' ' ASN . 50.7 m-85 -115.55 133.78 55.7 Favored 'General case' 0 CA--C 1.509 -0.604 0 CA-C-N 112.392 -2.185 . . . . 15.0 108.973 -178.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 13.2 p -107.26 101.08 10.49 Favored 'General case' 0 C--N 1.314 -0.936 0 C-N-CA 119.717 -0.793 . . . . 15.0 109.366 164.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 9.8 t -130.85 126.49 36.36 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-O 121.899 0.857 . . . . 15.0 111.485 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.676 ' CZ3' ' HD2' ' A' ' 444' ' ' LYS . 47.0 m95 -82.92 -0.14 47.04 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 114.725 -1.125 . . . . 15.0 109.995 174.019 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -101.97 144.91 29.99 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.665 -0.698 . . . . 15.0 110.26 -177.608 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 30.3 tttm -89.05 112.46 51.09 Favored Pre-proline 0 C--N 1.322 -0.625 0 CA-C-N 115.857 -0.611 . . . . 15.0 109.526 -176.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.607 ' HG2' ' HB2' ' A' ' 463' ' ' LEU . 31.0 Cg_endo -67.19 168.22 18.15 Favored 'Trans proline' 0 C--O 1.225 -0.145 0 C-N-CA 123.246 2.631 . . . . 15.0 111.817 -174.242 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . 0.808 ' HA ' ' HE2' ' A' ' 464' ' ' LYS . 27.2 tp60 -66.27 -28.63 68.86 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.902 0.382 . . . . 15.0 111.07 -176.396 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . 0.436 ' HA ' ' HB2' ' A' ' 429' ' ' ALA . 2.1 pm0 -83.3 -6.23 59.4 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.005 0.431 . . . . 15.0 111.338 178.614 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.607 ' HB2' ' HG2' ' A' ' 460' ' ' PRO . 40.0 mt -124.24 13.34 8.94 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.764 -0.653 . . . . 15.0 109.908 176.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . 0.808 ' HE2' ' HA ' ' A' ' 461' ' ' GLN . 11.9 tppt? . . . . . 0 C--O 1.248 0.99 0 CA-C-O 118.515 -0.755 . . . . 15.0 111.095 -170.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.534 0 N-CA-C 111.812 -0.515 . . . . 15.0 111.812 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -82.97 155.26 24.09 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.821 0.343 . . . . 15.0 110.766 -179.3 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 6.8 t -70.69 -44.98 65.88 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.024 -0.535 . . . . 15.0 112.142 -174.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -120.67 -69.58 0.83 Allowed 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.815 -0.354 . . . . 15.0 111.234 -175.402 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 18.3 m -77.99 118.88 25.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.146 0.498 . . . . 15.0 110.548 -179.515 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 30.0 t -89.97 11.56 20.15 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.042 0.448 . . . . 15.0 110.863 -174.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . 0.677 ' HB2' ' HG2' ' A' ' 451' ' ' ARG . 13.2 pt-20 -74.23 -29.99 61.96 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-O 120.933 0.397 . . . . 15.0 111.285 -179.687 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.457 ' CD1' ' HG3' ' A' ' 434' ' ' GLU . 35.5 m95 -89.78 139.78 30.24 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 116.079 -0.509 . . . . 15.0 110.004 -174.326 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.675 ' HB ' ' O ' ' A' ' 448' ' ' TYR . 1.1 m -123.83 143.41 50.35 Favored 'General case' 0 N--CA 1.417 -2.088 0 C-N-CA 119.771 -0.772 . . . . 15.0 109.67 -178.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -111.5 131.21 55.39 Favored 'General case' 0 C--N 1.31 -1.116 0 CA-C-O 121.495 0.664 . . . . 15.0 110.697 173.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -129.57 150.3 50.96 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.331 -0.849 . . . . 15.0 110.622 -178.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 0.518 ' HE2' ' HA2' ' A' ' 443' ' ' GLY . 55.6 tttt -124.51 137.57 54.41 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 115.314 -0.857 . . . . 15.0 109.606 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . 0.738 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 2.2 p -90.3 149.39 22.36 Favored 'General case' 0 N--CA 1.437 -1.123 0 N-CA-C 105.228 -2.138 . . . . 15.0 105.228 164.121 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -69.07 -2.45 10.13 Favored 'General case' 0 C--N 1.312 -1.056 0 C-N-CA 120.1 -0.64 . . . . 15.0 112.193 -168.211 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -84.29 -1.8 55.93 Favored 'General case' 0 CA--C 1.528 0.113 0 N-CA-C 109.01 -0.737 . . . . 15.0 109.01 172.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . 0.518 ' HA2' ' HE2' ' A' ' 439' ' ' LYS . . . 90.81 25.16 25.79 Favored Glycine 0 N--CA 1.441 -0.993 0 CA-C-N 114.639 -1.164 . . . . 15.0 113.25 173.323 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.738 ' HB2' ' OG1' ' A' ' 440' ' ' THR . 40.6 mttp -84.3 104.62 14.48 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 109.854 -0.424 . . . . 15.0 109.854 168.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 7.2 m -95.94 89.22 5.15 Favored 'General case' 0 N--CA 1.437 -1.107 0 C-N-CA 119.224 -0.99 . . . . 15.0 108.824 173.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . 0.577 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 27.2 p90 -94.41 150.01 20.68 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.439 -0.8 . . . . 15.0 110.171 172.796 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 79.3 m-85 -100.73 108.09 19.84 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.692 0.758 . . . . 15.0 111.371 -175.053 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . 0.865 ' HA ' ' O ' ' A' ' 454' ' ' TYR . 38.5 t80 -102.82 112.98 26.03 Favored 'General case' 0 C--O 1.212 -0.917 0 CA-C-N 114.306 -1.315 . . . . 15.0 109.234 178.332 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 1.041 ' HB3' ' CD1' ' A' ' 454' ' ' TYR . 1.3 t-20 -89.89 148.01 23.41 Favored 'General case' 0 CA--C 1.493 -1.219 0 O-C-N 121.941 -0.474 . . . . 15.0 110.078 -179.575 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -110.89 -1.11 16.6 Favored 'General case' 0 N--CA 1.444 -0.74 0 N-CA-C 113.621 0.971 . . . . 15.0 113.621 -157.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 0.677 ' HG2' ' HB2' ' A' ' 434' ' ' GLU . 3.6 ptm180 -101.61 -32.28 10.43 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.194 -0.603 . . . . 15.0 110.397 172.638 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . 0.694 ' HB ' ' CE1' ' A' ' 454' ' ' TYR . 10.1 m -118.23 -10.85 10.18 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.881 -0.6 . . . . 15.0 110.308 -178.521 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . 0.966 ' HA ' ' O ' ' A' ' 449' ' ' ASN . 0.3 OUTLIER 53.91 96.83 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 122.96 1.362 . . . . 15.0 113.546 178.25 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 454' ' ' TYR . . . . . 1.041 ' CD1' ' HB3' ' A' ' 449' ' ' ASN . 36.0 m-85 -116.83 143.86 45.18 Favored 'General case' 0 CA--C 1.51 -0.589 0 CA-C-N 112.764 -2.016 . . . . 15.0 108.831 -179.697 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 3.8 p -119.29 94.65 4.5 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-O 121.232 0.539 . . . . 15.0 109.904 165.288 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 4.1 t -117.75 125.37 50.51 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.48 0.657 . . . . 15.0 110.647 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.577 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 63.4 m95 -82.65 -8.22 59.61 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.95 -1.023 . . . . 15.0 110.399 178.401 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -104.69 133.03 50.21 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.44 -0.948 . . . . 15.0 108.44 177.039 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 19.9 ttmm -56.56 120.72 38.64 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 123.504 0.503 . . . . 15.0 110.007 -179.055 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.62 ' HD2' HD12 ' A' ' 463' ' ' LEU . 22.2 Cg_endo -61.77 155.13 56.12 Favored 'Trans proline' 0 N--CA 1.462 -0.377 0 C-N-CA 122.19 1.926 . . . . 15.0 111.033 -174.367 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 17.7 mm-40 -66.78 -18.21 65.26 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.55 -0.295 . . . . 15.0 111.502 -170.094 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . 0.534 ' OE2' ' HB2' ' A' ' 460' ' ' PRO . 1.9 pm0 -87.24 -13.6 43.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.661 0.267 . . . . 15.0 111.624 176.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.62 HD12 ' HD2' ' A' ' 460' ' ' PRO . 29.4 mt -91.11 -10.25 42.64 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.624 -0.51 . . . . 15.0 109.624 173.122 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 52.8 mttp . . . . . 0 C--O 1.245 0.83 0 CA-C-O 118.608 -0.711 . . . . 15.0 109.653 174.023 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.54 0 N-CA-C 111.787 -0.525 . . . . 15.0 111.787 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -72.35 121.31 19.27 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.718 0.294 . . . . 15.0 110.678 179.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 35.4 m -86.53 89.68 7.98 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.326 0.584 . . . . 15.0 110.25 -179.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -121.47 -50.17 2.11 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.519 -0.764 . . . . 15.0 109.971 177.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 30.3 m -87.78 158.0 3.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.56 -0.746 . . . . 15.0 110.214 176.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 40.2 t -129.19 -11.58 4.65 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.976 0.417 . . . . 15.0 110.544 -178.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . 0.542 ' HB2' ' HG2' ' A' ' 451' ' ' ARG . 2.0 pm0 -78.51 -27.42 46.06 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.113 -0.494 . . . . 15.0 111.303 179.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.417 ' HA ' ' HB2' ' A' ' 449' ' ' ASN . 35.0 m95 -89.62 150.09 22.53 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 115.961 -0.563 . . . . 15.0 110.053 -172.704 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.596 ' HB ' ' O ' ' A' ' 448' ' ' TYR . 1.1 m -132.62 144.33 50.29 Favored 'General case' 0 N--CA 1.418 -2.065 0 C-N-CA 119.814 -0.755 . . . . 15.0 110.035 178.122 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . 0.408 ' O ' ' HG2' ' A' ' 437' ' ' GLU . 1.3 pm0 -110.28 126.6 54.36 Favored 'General case' 0 C--N 1.312 -1.031 0 CA-C-O 121.649 0.738 . . . . 15.0 110.691 170.605 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -119.56 150.3 40.5 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.492 -0.776 . . . . 15.0 110.225 179.269 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 0.494 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 2.2 mppt? -119.14 145.44 45.96 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 122.044 0.926 . . . . 15.0 112.086 179.701 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . 0.448 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 67.3 p -89.81 150.93 22.04 Favored 'General case' 0 C--N 1.309 -1.185 0 CA-C-N 113.586 -1.643 . . . . 15.0 107.324 168.075 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -47.07 -26.88 1.17 Allowed 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 112.936 0.717 . . . . 15.0 112.936 178.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -88.4 -0.69 57.46 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-O 121.101 0.477 . . . . 15.0 111.474 178.178 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.01 30.32 13.11 Favored Glycine 0 CA--C 1.502 -0.779 0 CA-C-N 116.099 -0.5 . . . . 15.0 112.919 170.35 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.494 ' O ' ' HA ' ' A' ' 439' ' ' LYS . 64.9 mttm -71.72 103.17 2.99 Favored 'General case' 0 CA--C 1.502 -0.873 0 N-CA-C 109.117 -0.697 . . . . 15.0 109.117 168.057 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 13.2 m -89.88 89.31 7.68 Favored 'General case' 0 N--CA 1.431 -1.404 0 C-N-CA 119.245 -0.982 . . . . 15.0 108.526 173.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . 0.57 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 7.5 p90 -102.6 143.76 31.87 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.688 -0.687 . . . . 15.0 110.078 172.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -92.62 99.91 12.53 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 121.83 0.824 . . . . 15.0 111.528 -174.083 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . 0.8 ' HA ' ' O ' ' A' ' 454' ' ' TYR . 43.4 t80 -96.69 111.97 23.91 Favored 'General case' 0 N--CA 1.443 -0.81 0 CA-C-N 114.439 -1.255 . . . . 15.0 108.829 174.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.985 ' HB3' ' CD1' ' A' ' 454' ' ' TYR . 1.6 t-20 -89.72 145.98 24.83 Favored 'General case' 0 CA--C 1.491 -1.302 0 O-C-N 121.825 -0.547 . . . . 15.0 110.292 -179.364 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -109.97 -1.31 17.75 Favored 'General case' 0 N--CA 1.444 -0.759 0 N-CA-C 113.135 0.791 . . . . 15.0 113.135 -159.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 0.549 ' HG3' ' N ' ' A' ' 452' ' ' THR . 7.9 ptt180 -91.52 -34.56 14.73 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.532 0.682 . . . . 15.0 109.837 172.689 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . 0.761 ' HB ' ' CE1' ' A' ' 454' ' ' TYR . 26.4 m -126.26 -11.35 6.37 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.067 -0.97 . . . . 15.0 110.144 -172.522 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . 0.928 ' HA ' ' O ' ' A' ' 449' ' ' ASN 0.256 0.3 OUTLIER 56.61 92.91 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 122.734 1.254 . . . . 15.0 113.059 178.218 . . . . . . . . 4 4 . 1 . 003 nuclear nobuild full ' A' A ' 454' ' ' TYR . . . . . 0.985 ' CD1' ' HB3' ' A' ' 449' ' ' ASN . 22.0 m-85 -113.3 134.24 54.71 Favored 'General case' 0 CA--C 1.512 -0.493 0 CA-C-N 112.803 -1.999 . . . . 15.0 108.905 -179.059 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 3.4 p -105.97 98.71 8.36 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.682 -0.488 . . . . 15.0 109.682 167.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 4.5 t -130.2 124.78 33.36 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.671 0.748 . . . . 15.0 111.02 179.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.57 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 29.4 m95 -86.9 -5.88 58.96 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 114.976 -1.011 . . . . 15.0 109.296 175.047 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -92.27 136.56 33.1 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.008 -0.996 . . . . 15.0 109.453 175.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . 0.626 ' HE2' ' O ' ' A' ' 463' ' ' LEU . 56.3 tttt -77.96 118.95 75.37 Favored Pre-proline 0 C--N 1.321 -0.632 0 N-CA-C 109.326 -0.62 . . . . 15.0 109.326 -179.261 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.545 ' HG2' HD12 ' A' ' 463' ' ' LEU . 25.8 Cg_endo -67.91 159.54 52.42 Favored 'Trans proline' 0 N--CA 1.461 -0.427 0 C-N-CA 122.208 1.939 . . . . 15.0 111.87 -173.485 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 53.2 mm-40 -66.47 -16.17 63.92 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.156 -0.475 . . . . 15.0 111.517 -173.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . 0.488 ' OE1' ' HB2' ' A' ' 460' ' ' PRO . 1.9 pm0 -93.43 -2.4 54.64 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.376 -0.374 . . . . 15.0 111.631 178.202 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.626 ' O ' ' HE2' ' A' ' 459' ' ' LYS . 12.5 mt -118.9 3.13 11.58 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.642 -0.254 . . . . 15.0 111.463 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . 0.825 ' HA ' ' HE2' ' A' ' 464' ' ' LYS . 9.3 mmpt? . . . . . 0 C--O 1.248 0.985 0 O-C-N 123.594 0.559 . . . . 15.0 112.359 -174.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.818 0 N-CA-C 111.845 -0.502 . . . . 15.0 111.845 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -135.23 128.1 31.28 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.895 0.347 . . . . 15.0 111.074 -177.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 9.2 m -84.75 98.55 10.32 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.092 -0.707 . . . . 15.0 109.092 175.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -111.84 119.27 37.99 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 120.988 0.423 . . . . 15.0 111.993 -171.56 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 5.3 m -106.06 66.82 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 121.885 0.85 . . . . 15.0 109.527 173.162 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 10.6 t -90.75 12.61 18.64 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.122 -0.944 . . . . 15.0 110.336 -172.531 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . 0.488 ' HG3' ' CD1' ' A' ' 435' ' ' TRP . 6.9 pt-20 -69.4 -17.71 63.69 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-N 115.888 -0.596 . . . . 15.0 111.388 177.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.507 ' CZ3' ' HG3' ' A' ' 460' ' ' PRO . 43.8 m95 -89.56 147.43 23.95 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.976 -0.556 . . . . 15.0 110.406 -170.724 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.701 ' HB ' ' O ' ' A' ' 448' ' ' TYR . 1.1 m -124.77 140.5 52.87 Favored 'General case' 0 N--CA 1.42 -1.93 0 N-CA-C 108.804 -0.813 . . . . 15.0 108.804 179.794 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -110.45 132.17 54.41 Favored 'General case' 0 C--N 1.309 -1.166 0 C-N-CA 119.935 -0.706 . . . . 15.0 110.864 176.749 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -123.94 150.29 44.92 Favored 'General case' 0 CA--C 1.512 -0.506 0 CA-C-N 115.558 -0.747 . . . . 15.0 110.481 178.124 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 0.634 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 0.0 OUTLIER -120.51 145.81 46.92 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 115.229 -0.896 . . . . 15.0 110.905 172.704 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . 0.409 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 63.9 p -89.79 150.98 22.03 Favored 'General case' 0 C--N 1.307 -1.266 0 N-CA-C 107.061 -1.459 . . . . 15.0 107.061 167.14 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -45.13 -33.03 2.02 Favored 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 112.413 0.523 . . . . 15.0 112.413 178.02 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -81.34 -0.6 41.85 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-O 120.934 0.397 . . . . 15.0 111.669 179.067 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.32 30.33 12.54 Favored Glycine 0 CA--C 1.503 -0.668 0 CA-C-N 116.366 -0.379 . . . . 15.0 113.004 170.438 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.634 ' O ' ' HA ' ' A' ' 439' ' ' LYS . 48.0 mttm -73.99 108.33 6.74 Favored 'General case' 0 CA--C 1.503 -0.859 0 N-CA-C 109.487 -0.56 . . . . 15.0 109.487 169.523 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 18.7 m -93.57 89.37 6.23 Favored 'General case' 0 N--CA 1.435 -1.187 0 C-N-CA 119.213 -0.995 . . . . 15.0 108.782 174.088 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . 0.538 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 26.8 p90 -104.7 147.76 27.32 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.611 -0.722 . . . . 15.0 110.071 172.715 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -102.14 112.86 25.68 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-O 121.625 0.726 . . . . 15.0 111.518 -174.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . 0.762 ' HA ' ' O ' ' A' ' 454' ' ' TYR . 63.2 t80 -108.39 112.68 25.23 Favored 'General case' 0 C--O 1.214 -0.812 0 CA-C-N 114.587 -1.188 . . . . 15.0 108.647 174.468 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 1.019 ' HB3' ' HD1' ' A' ' 454' ' ' TYR . 2.1 t-20 -90.01 149.66 22.45 Favored 'General case' 0 CA--C 1.495 -1.141 0 O-C-N 122.13 -0.356 . . . . 15.0 110.475 -177.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -113.4 -2.81 13.86 Favored 'General case' 0 N--CA 1.445 -0.702 0 O-C-N 124.231 0.957 . . . . 15.0 112.294 -160.466 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 26.1 ttp180 -93.82 -42.23 9.22 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.611 0.72 . . . . 15.0 109.918 173.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . 0.445 ' O ' ' HG ' ' A' ' 453' ' ' LEU . 0.0 OUTLIER -116.8 -7.92 11.42 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 114.992 -1.004 . . . . 15.0 110.734 -176.403 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . 0.972 ' HA ' ' O ' ' A' ' 449' ' ' ASN 0.257 2.1 pp 52.36 100.12 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 123.122 1.439 . . . . 15.0 113.983 -179.567 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 454' ' ' TYR . . . . . 1.019 ' HD1' ' HB3' ' A' ' 449' ' ' ASN . 26.2 m-85 -121.54 148.67 44.18 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-N 112.857 -1.974 . . . . 15.0 108.77 -179.03 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 13.2 p -123.69 103.68 8.54 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 109.979 -0.378 . . . . 15.0 109.979 166.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 5.5 t -135.07 123.54 23.37 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.339 0.59 . . . . 15.0 111.215 -178.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.538 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 45.5 m95 -75.49 -16.77 60.26 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.451 -0.795 . . . . 15.0 110.18 173.801 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -84.72 139.42 32.01 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.463 -0.79 . . . . 15.0 109.917 176.315 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 24.5 tttm -71.88 121.32 84.23 Favored Pre-proline 0 C--N 1.323 -0.58 0 N-CA-C 109.214 -0.661 . . . . 15.0 109.214 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.565 ' HB2' ' HB2' ' A' ' 463' ' ' LEU . 82.0 Cg_exo -44.96 147.3 2.03 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 124.27 3.313 . . . . 15.0 113.994 -175.571 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . 0.635 HE21 ' HA ' ' A' ' 461' ' ' GLN . 0.0 OUTLIER -60.56 -28.32 68.36 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.748 -0.66 . . . . 15.0 110.703 177.664 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . 0.46 ' CD ' ' H ' ' A' ' 462' ' ' GLU . 1.7 pm0 -94.45 3.23 55.43 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.914 -0.585 . . . . 15.0 111.136 179.732 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.565 ' HB2' ' HB2' ' A' ' 460' ' ' PRO . 7.2 mp -125.05 14.16 8.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 15.0 110.776 177.112 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt . . . . . 0 C--O 1.248 0.987 0 CA-C-O 118.511 -0.757 . . . . 15.0 111.07 -179.647 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.851 0 N-CA-C 111.914 -0.474 . . . . 15.0 111.914 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . 63.92 95.44 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 121.363 0.602 . . . . 15.0 111.679 -178.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 48.1 m -127.65 -53.9 1.34 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.956 -0.565 . . . . 15.0 110.569 178.279 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -106.92 -32.53 7.86 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.16 -0.473 . . . . 15.0 110.378 176.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 28.5 m -74.49 137.82 22.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 15.0 110.899 178.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 12.7 t -137.08 10.11 3.03 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.307 0.575 . . . . 15.0 109.98 -178.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . 0.484 ' HG3' ' CD1' ' A' ' 435' ' ' TRP . 9.5 pt-20 -76.41 -24.98 54.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.475 -0.784 . . . . 15.0 112.146 -177.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.484 ' CD1' ' HG3' ' A' ' 434' ' ' GLU . 42.5 m95 -89.76 140.71 29.32 Favored 'General case' 0 C--N 1.319 -0.761 0 N-CA-C 109.7 -0.482 . . . . 15.0 109.7 -173.764 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.78 ' HB ' ' O ' ' A' ' 448' ' ' TYR . 1.1 m -119.27 139.49 51.83 Favored 'General case' 0 N--CA 1.416 -2.156 0 N-CA-C 108.334 -0.987 . . . . 15.0 108.334 -177.608 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -109.94 133.45 53.16 Favored 'General case' 0 C--N 1.311 -1.107 0 C-N-CA 119.668 -0.813 . . . . 15.0 111.695 178.567 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -126.08 150.31 48.26 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-N 115.777 -0.647 . . . . 15.0 110.746 178.202 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 0.613 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 0.0 OUTLIER -122.89 146.29 47.71 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 115.318 -0.855 . . . . 15.0 110.882 171.283 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . 0.462 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 81.9 p -89.98 150.95 21.91 Favored 'General case' 0 C--N 1.308 -1.205 0 N-CA-C 107.429 -1.323 . . . . 15.0 107.429 166.655 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -47.86 -24.04 0.9 Allowed 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 112.802 0.667 . . . . 15.0 112.802 177.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . 0.408 ' OD2' ' HG3' ' A' ' 444' ' ' LYS . 3.7 p-10 -87.4 -1.01 57.62 Favored 'General case' 0 N--CA 1.468 0.439 0 O-C-N 121.992 -0.443 . . . . 15.0 111.598 177.812 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.52 29.88 13.09 Favored Glycine 0 CA--C 1.504 -0.61 0 CA-C-N 116.36 -0.382 . . . . 15.0 112.937 171.178 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.613 ' O ' ' HA ' ' A' ' 439' ' ' LYS . 63.3 mttp -75.74 104.64 6.38 Favored 'General case' 0 CA--C 1.505 -0.756 0 N-CA-C 109.916 -0.401 . . . . 15.0 109.916 169.304 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 23.9 m -90.03 89.41 7.69 Favored 'General case' 0 N--CA 1.438 -1.069 0 C-N-CA 119.224 -0.991 . . . . 15.0 108.769 173.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . 0.545 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 11.3 p90 -104.42 145.51 30.17 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.607 -0.724 . . . . 15.0 109.815 172.133 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -102.55 113.68 27.26 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-O 121.723 0.773 . . . . 15.0 111.522 -173.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . 0.904 ' HA ' ' O ' ' A' ' 454' ' ' TYR . 57.5 t80 -106.63 109.21 21.06 Favored 'General case' 0 C--O 1.209 -1.076 0 CA-C-N 114.438 -1.255 . . . . 15.0 108.842 176.626 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 1.04 ' HB3' ' CD1' ' A' ' 454' ' ' TYR . 1.5 t-20 -89.91 147.71 23.57 Favored 'General case' 0 CA--C 1.491 -1.313 0 O-C-N 121.839 -0.538 . . . . 15.0 110.881 -176.519 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -110.02 3.27 20.23 Favored 'General case' 0 N--CA 1.445 -0.676 0 N-CA-C 113.129 0.789 . . . . 15.0 113.129 -159.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 0.45 ' HG3' ' OG1' ' A' ' 452' ' ' THR . 16.8 ptm180 -101.14 -30.63 11.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.281 0.562 . . . . 15.0 110.015 171.799 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . 0.782 ' HB ' ' CE1' ' A' ' 454' ' ' TYR . 4.9 m -124.27 -9.11 7.56 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.384 -0.825 . . . . 15.0 110.344 -176.301 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . 0.915 ' HA ' ' O ' ' A' ' 449' ' ' ASN 0.254 0.2 OUTLIER 53.2 88.83 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 122.787 1.279 . . . . 15.0 113.155 177.998 . . . . . . . . 4 4 . 1 . 005 nuclear nobuild full ' A' A ' 454' ' ' TYR . . . . . 1.04 ' CD1' ' HB3' ' A' ' 449' ' ' ASN . 46.7 m-85 -109.9 138.06 46.8 Favored 'General case' 0 CA--C 1.507 -0.705 0 CA-C-N 112.686 -2.052 . . . . 15.0 109.168 -179.031 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 3.8 p -113.28 105.19 13.12 Favored 'General case' 0 C--N 1.314 -0.935 0 N-CA-C 109.36 -0.607 . . . . 15.0 109.36 164.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 9.1 t -137.55 124.77 21.71 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.308 0.575 . . . . 15.0 110.744 179.657 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.554 ' CZ3' ' HD3' ' A' ' 444' ' ' LYS . 36.6 m95 -74.4 -6.48 48.45 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.623 -0.717 . . . . 15.0 110.994 175.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -101.23 143.64 31.06 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.999 0.428 . . . . 15.0 110.677 -176.159 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . 0.831 ' HD3' ' HA ' ' A' ' 464' ' ' LYS . 33.7 ttmt -82.79 118.6 72.33 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 115.792 -0.64 . . . . 15.0 110.261 179.508 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.648 ' HB2' ' OE2' ' A' ' 462' ' ' GLU . 58.1 Cg_endo -71.99 171.22 17.11 Favored 'Trans proline' 0 C--O 1.235 0.338 0 C-N-CA 122.891 2.394 . . . . 15.0 112.735 -177.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . 0.715 HE21 ' HA ' ' A' ' 461' ' ' GLN . 0.0 OUTLIER -68.41 -24.26 64.73 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.646 -0.706 . . . . 15.0 112.686 -170.705 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . 0.648 ' OE2' ' HB2' ' A' ' 460' ' ' PRO . 1.4 pm0 -94.52 -2.07 52.31 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.992 -0.283 . . . . 15.0 111.177 179.271 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.401 HD12 ' CG ' ' A' ' 460' ' ' PRO . 25.5 mt -111.99 7.19 19.76 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.383 -0.372 . . . . 15.0 111.188 177.344 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . 0.831 ' HA ' ' HD3' ' A' ' 459' ' ' LYS . 9.5 mmpt? . . . . . 0 C--O 1.25 1.12 0 CA-C-O 118.552 -0.737 . . . . 15.0 111.138 -179.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.727 0 N-CA-C 111.651 -0.58 . . . . 15.0 111.651 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -142.79 108.67 5.16 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.938 0.399 . . . . 15.0 110.951 -178.037 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 8.4 m -109.76 -39.49 5.09 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.297 0.57 . . . . 15.0 109.827 177.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -127.49 119.04 25.18 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.699 -0.682 . . . . 15.0 110.112 178.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 16.9 m -92.3 127.02 44.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 121.344 0.592 . . . . 15.0 110.784 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 41.6 m -150.25 2.54 0.49 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.767 -0.651 . . . . 15.0 110.772 -179.407 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . 0.498 ' HB2' ' HG2' ' A' ' 451' ' ' ARG . 1.2 pm0 -77.14 -25.72 52.33 Favored 'General case' 0 CA--C 1.512 -0.482 0 CA-C-N 116.359 -0.382 . . . . 15.0 111.705 -173.777 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.47 ' CD1' ' HG2' ' A' ' 434' ' ' GLU . 45.0 m95 -89.46 138.96 31.0 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 116.208 -0.451 . . . . 15.0 109.877 -173.251 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.803 ' HB ' ' O ' ' A' ' 448' ' ' TYR . 1.1 m -118.26 131.51 56.35 Favored 'General case' 0 N--CA 1.415 -2.202 0 N-CA-C 108.435 -0.95 . . . . 15.0 108.435 -176.728 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.17 130.15 50.28 Favored 'General case' 0 C--N 1.309 -1.156 0 C-N-CA 118.975 -1.09 . . . . 15.0 111.223 177.236 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -122.77 150.11 43.23 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.666 -0.697 . . . . 15.0 110.882 178.096 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 0.607 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 0.1 OUTLIER -125.8 145.88 50.03 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.418 -0.81 . . . . 15.0 110.74 173.021 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . 0.521 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 65.6 p -89.67 150.78 22.2 Favored 'General case' 0 C--N 1.31 -1.135 0 N-CA-C 107.093 -1.447 . . . . 15.0 107.093 167.264 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -46.64 -24.9 0.61 Allowed 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 113.183 0.809 . . . . 15.0 113.183 -179.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . 0.513 ' OD2' ' HG3' ' A' ' 444' ' ' LYS . 7.1 p-10 -85.98 -2.02 57.89 Favored 'General case' 0 N--CA 1.47 0.531 0 O-C-N 122.031 -0.418 . . . . 15.0 111.393 178.012 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.08 30.36 12.89 Favored Glycine 0 CA--C 1.505 -0.583 0 CA-C-N 115.981 -0.554 . . . . 15.0 113.132 171.53 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.607 ' O ' ' HA ' ' A' ' 439' ' ' LYS . 51.9 mttp -73.46 107.48 5.77 Favored 'General case' 0 CA--C 1.504 -0.794 0 N-CA-C 109.93 -0.396 . . . . 15.0 109.93 169.546 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . 0.59 HG23 ' HD2' ' A' ' 439' ' ' LYS . 14.0 m -92.47 89.4 6.75 Favored 'General case' 0 N--CA 1.435 -1.203 0 C-N-CA 119.338 -0.945 . . . . 15.0 109.29 176.15 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . 0.622 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 5.4 p90 -105.81 144.05 33.1 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.424 -0.807 . . . . 15.0 110.562 171.691 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -99.26 117.91 34.76 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-O 121.6 0.714 . . . . 15.0 111.405 -175.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . 0.847 ' HA ' ' O ' ' A' ' 454' ' ' TYR . 47.3 t80 -112.75 108.9 18.09 Favored 'General case' 0 C--O 1.209 -1.048 0 CA-C-N 114.539 -1.21 . . . . 15.0 108.502 175.203 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 1.029 ' HB3' ' CD1' ' A' ' 454' ' ' TYR . 2.2 t-20 -90.07 144.93 25.46 Favored 'General case' 0 C--O 1.203 -1.374 0 O-C-N 121.69 -0.631 . . . . 15.0 111.361 -176.636 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -107.11 2.55 24.98 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 115.317 -0.856 . . . . 15.0 113.107 -162.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 0.564 ' HG3' ' OG1' ' A' ' 452' ' ' THR . 10.8 ptt180 -93.47 -25.96 17.4 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 121.467 0.651 . . . . 15.0 109.77 172.568 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . 0.76 ' HB ' ' CE1' ' A' ' 454' ' ' TYR . 16.1 m -136.67 -12.76 1.75 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.137 -0.938 . . . . 15.0 110.585 -171.684 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . 0.867 ' HA ' ' O ' ' A' ' 449' ' ' ASN 0.267 0.3 OUTLIER 57.18 86.0 0.08 Allowed 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 122.886 1.326 . . . . 15.0 112.764 179.846 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild full ' A' A ' 454' ' ' TYR . . . . . 1.029 ' CD1' ' HB3' ' A' ' 449' ' ' ASN . 32.4 m-85 -106.56 146.34 30.77 Favored 'General case' 0 CA--C 1.511 -0.519 0 CA-C-N 112.635 -2.075 . . . . 15.0 108.586 178.36 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 5.7 p -122.34 96.74 5.16 Favored 'General case' 0 C--N 1.319 -0.739 0 C-N-CA 120.535 -0.466 . . . . 15.0 109.876 166.048 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 4.2 t -123.6 123.79 41.36 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.548 0.69 . . . . 15.0 110.93 -178.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.622 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 51.8 m95 -82.91 -0.16 47.11 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.197 -0.91 . . . . 15.0 110.175 175.498 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -108.98 142.4 39.7 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.865 -0.607 . . . . 15.0 109.962 179.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 23.4 ttmm -74.06 121.59 85.55 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.469 -0.332 . . . . 15.0 110.597 -178.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.559 ' HB2' ' OE1' ' A' ' 462' ' ' GLU . 75.0 Cg_endo -77.89 166.78 24.69 Favored 'Trans proline' 0 C--O 1.235 0.347 0 C-N-CA 122.866 2.377 . . . . 15.0 112.655 -179.436 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 25.9 mp0 -63.22 -27.83 69.63 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.212 -0.904 . . . . 15.0 112.626 -172.455 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . 0.559 ' OE1' ' HB2' ' A' ' 460' ' ' PRO . 1.7 pm0 -84.29 -5.51 59.27 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 111.769 0.285 . . . . 15.0 111.769 -178.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.435 HD12 ' CG ' ' A' ' 460' ' ' PRO . 48.8 mt -113.32 -0.6 14.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.598 0.237 . . . . 15.0 111.536 -179.566 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 5.7 ptmm? . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.17 -0.919 . . . . 15.0 111.033 179.65 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.843 0 N-CA-C 112.27 -0.332 . . . . 15.0 112.27 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -87.35 151.24 23.26 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.968 -0.382 . . . . 15.0 109.968 179.316 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 12.5 p -75.9 102.81 5.69 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.564 -0.289 . . . . 15.0 111.134 -179.541 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . 67.58 175.89 0.26 Allowed 'General case' 0 C--O 1.233 0.215 0 O-C-N 123.862 0.726 . . . . 15.0 111.578 179.035 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 26.8 m -88.38 156.96 3.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.019 -0.537 . . . . 15.0 111.044 -178.301 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 22.0 t -130.94 -10.21 3.85 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.963 -0.562 . . . . 15.0 109.997 177.675 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . 0.411 ' CB ' ' HD3' ' A' ' 451' ' ' ARG . 1.5 pm0 -66.75 -34.74 78.5 Favored 'General case' 0 CA--C 1.512 -0.496 0 CA-C-N 115.961 -0.563 . . . . 15.0 110.48 175.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.484 ' HA ' ' HB2' ' A' ' 449' ' ' ASN . 43.7 m95 -89.55 138.54 31.37 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.491 -0.777 . . . . 15.0 109.586 -175.162 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.763 ' HB ' ' O ' ' A' ' 448' ' ' TYR . 1.1 m -120.3 139.48 52.66 Favored 'General case' 0 N--CA 1.417 -2.116 0 C-N-CA 119.432 -0.907 . . . . 15.0 108.931 -177.435 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -110.44 133.79 52.94 Favored 'General case' 0 C--N 1.306 -1.308 0 CA-C-O 121.522 0.677 . . . . 15.0 110.692 176.232 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -129.08 150.14 50.6 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.439 -0.8 . . . . 15.0 110.1 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 0.567 ' HE3' ' OG1' ' A' ' 445' ' ' THR . 3.6 mptt -120.98 150.1 41.64 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-O 122.37 1.081 . . . . 15.0 112.065 174.671 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . 0.628 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 1.6 p -106.05 150.23 25.95 Favored 'General case' 0 C--N 1.301 -1.513 0 CA-C-N 113.159 -1.837 . . . . 15.0 107.847 167.298 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -57.08 -12.55 2.21 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 113.159 0.8 . . . . 15.0 113.159 -172.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 21.0 p30 -86.57 -0.26 55.78 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.903 0.382 . . . . 15.0 111.107 177.176 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.05 30.24 13.24 Favored Glycine 0 CA--C 1.507 -0.407 0 CA-C-N 115.945 -0.571 . . . . 15.0 112.71 171.265 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.628 ' HB2' ' OG1' ' A' ' 440' ' ' THR . 62.5 mttt -90.73 113.57 25.7 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.4 -0.4 . . . . 15.0 110.521 174.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . 0.567 ' OG1' ' HE3' ' A' ' 439' ' ' LYS . 4.4 m -96.85 89.57 4.93 Favored 'General case' 0 N--CA 1.437 -1.078 0 C-N-CA 119.619 -0.833 . . . . 15.0 108.863 171.618 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . 0.621 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 21.7 p90 -99.41 144.85 28.05 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 116.052 -0.522 . . . . 15.0 110.191 173.52 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 59.7 m-85 -98.38 114.25 26.52 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.506 0.67 . . . . 15.0 111.838 -173.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . 0.887 ' HA ' ' O ' ' A' ' 454' ' ' TYR . 71.7 t80 -108.25 108.96 20.19 Favored 'General case' 0 C--O 1.211 -0.951 0 CA-C-N 114.464 -1.244 . . . . 15.0 108.482 174.205 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.976 ' HB3' ' CD1' ' A' ' 454' ' ' TYR . 1.6 t-20 -89.7 143.01 27.15 Favored 'General case' 0 CA--C 1.49 -1.362 0 O-C-N 121.837 -0.539 . . . . 15.0 110.705 -177.014 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -105.96 0.71 25.98 Favored 'General case' 0 N--CA 1.442 -0.846 0 CA-C-N 114.899 -1.046 . . . . 15.0 113.134 -162.597 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 0.517 ' HG2' ' OD1' ' A' ' 449' ' ' ASN . 27.2 ptt180 -92.19 -20.49 21.15 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 121.413 0.625 . . . . 15.0 110.111 174.585 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . 0.674 ' HB ' ' CE1' ' A' ' 454' ' ' TYR . 57.9 m -148.26 -9.94 0.38 Allowed 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.394 -0.821 . . . . 15.0 110.569 -171.026 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . 0.858 ' HA ' ' O ' ' A' ' 449' ' ' ASN 0.286 3.2 pp 60.01 94.8 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 123.327 1.537 . . . . 15.0 113.417 175.001 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 454' ' ' TYR . . . . . 0.976 ' CD1' ' HB3' ' A' ' 449' ' ' ASN . 18.2 m-85 -118.55 146.09 44.85 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 112.298 -2.228 . . . . 15.0 108.218 -178.772 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 3.4 p -123.77 94.38 4.22 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-O 121.17 0.51 . . . . 15.0 110.208 167.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 3.0 t -122.25 123.07 40.59 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.651 -0.704 . . . . 15.0 110.556 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.621 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 40.7 m95 -80.8 -8.4 59.68 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.491 -0.777 . . . . 15.0 109.857 177.12 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -97.06 141.36 30.3 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.516 -0.765 . . . . 15.0 110.178 179.382 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . 0.629 ' HE2' ' O ' ' A' ' 463' ' ' LEU . 38.2 tttt -72.89 120.15 79.32 Favored Pre-proline 0 C--N 1.322 -0.61 0 CA-C-N 115.42 -0.809 . . . . 15.0 110.353 -177.635 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.603 ' HB2' ' OE2' ' A' ' 462' ' ' GLU . 61.2 Cg_endo -73.86 167.3 27.56 Favored 'Trans proline' 0 N--CA 1.461 -0.394 0 C-N-CA 122.896 2.398 . . . . 15.0 112.053 -177.503 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 7.6 mm-40 -67.07 -28.63 68.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.205 -0.452 . . . . 15.0 111.923 -171.461 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . 0.603 ' OE2' ' HB2' ' A' ' 460' ' ' PRO . 1.4 pm0 -86.19 -2.5 58.42 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.005 0.431 . . . . 15.0 111.068 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.629 ' O ' ' HE2' ' A' ' 459' ' ' LYS . 40.1 mt -117.74 -0.14 11.86 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.325 -0.398 . . . . 15.0 110.232 175.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 21.4 tptt . . . . . 0 C--O 1.249 1.057 0 O-C-N 123.926 0.766 . . . . 15.0 111.313 -173.247 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.941 0 N-CA-C 112.694 -0.162 . . . . 15.0 112.694 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -70.26 105.55 3.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.732 0.301 . . . . 15.0 111.714 -174.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 97.0 m 58.02 -92.43 0.03 OUTLIER 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 115.526 -0.761 . . . . 15.0 111.916 179.052 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . 176.04 138.21 0.06 Allowed 'General case' 0 CA--C 1.52 -0.209 0 N-CA-C 109.681 -0.488 . . . . 15.0 109.681 -176.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 35.5 m -95.89 134.44 33.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 N-CA-C 109.892 -0.41 . . . . 15.0 109.892 175.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 18.9 m -107.08 -1.43 22.06 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 120.876 0.37 . . . . 15.0 111.124 -178.435 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . 0.484 ' HG3' ' CD1' ' A' ' 435' ' ' TRP . 8.7 pt-20 -75.26 -26.23 58.65 Favored 'General case' 0 CA--C 1.51 -0.589 0 CA-C-O 121.084 0.469 . . . . 15.0 110.769 178.639 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.484 ' CD1' ' HG3' ' A' ' 434' ' ' GLU . 45.1 m95 -89.51 141.14 28.85 Favored 'General case' 0 N--CA 1.44 -0.963 0 CA-C-N 115.575 -0.738 . . . . 15.0 109.35 -174.558 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.688 ' HB ' ' O ' ' A' ' 448' ' ' TYR . 1.1 m -123.35 142.67 50.72 Favored 'General case' 0 N--CA 1.412 -2.343 0 C-N-CA 119.522 -0.871 . . . . 15.0 109.378 -178.551 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 3.5 pm0 -113.32 130.33 56.3 Favored 'General case' 0 C--N 1.309 -1.19 0 CA-C-O 121.634 0.73 . . . . 15.0 111.09 173.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -125.53 150.24 47.6 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.338 -0.846 . . . . 15.0 110.11 177.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 0.559 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 11.8 mptt -118.59 150.1 40.24 Favored 'General case' 0 CA--C 1.503 -0.851 0 CA-C-O 121.963 0.887 . . . . 15.0 111.704 174.737 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . 0.456 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 66.3 p -91.47 150.76 21.08 Favored 'General case' 0 C--N 1.304 -1.409 0 CA-C-N 113.507 -1.679 . . . . 15.0 107.769 169.315 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -44.61 -30.42 0.91 Allowed 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 112.581 0.586 . . . . 15.0 112.581 175.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . 0.408 ' OD2' ' HG3' ' A' ' 444' ' ' LYS . 5.3 p-10 -86.16 0.6 53.23 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-O 120.772 0.32 . . . . 15.0 111.579 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.6 29.87 12.94 Favored Glycine 0 CA--C 1.508 -0.384 0 CA-C-N 116.368 -0.378 . . . . 15.0 113.137 169.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.559 ' O ' ' HA ' ' A' ' 439' ' ' LYS . 57.6 mttp -75.97 108.98 9.23 Favored 'General case' 0 CA--C 1.508 -0.661 0 N-CA-C 110.261 -0.274 . . . . 15.0 110.261 172.214 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 31.9 m -91.76 89.53 7.13 Favored 'General case' 0 N--CA 1.438 -1.035 0 C-N-CA 119.538 -0.865 . . . . 15.0 109.096 174.03 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . 0.593 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 20.3 p90 -106.04 146.05 30.62 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.594 -0.73 . . . . 15.0 110.081 173.229 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -99.58 110.66 23.08 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.849 0.833 . . . . 15.0 111.231 -175.105 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . 0.888 ' HA ' ' O ' ' A' ' 454' ' ' TYR . 56.5 t80 -108.23 110.23 21.79 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 114.106 -1.407 . . . . 15.0 108.839 177.147 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.984 ' HB3' ' CD1' ' A' ' 454' ' ' TYR . 1.4 t-20 -89.71 147.4 23.88 Favored 'General case' 0 CA--C 1.494 -1.194 0 O-C-N 122.057 -0.402 . . . . 15.0 110.596 -177.07 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -112.34 6.43 18.79 Favored 'General case' 0 N--CA 1.447 -0.62 0 O-C-N 123.91 0.756 . . . . 15.0 112.853 -159.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 0.438 ' HG2' ' OD1' ' A' ' 449' ' ' ASN . 12.3 ptm180 -100.54 -26.77 13.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.561 0.696 . . . . 15.0 109.822 171.7 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . 0.699 ' HB ' ' CE1' ' A' ' 454' ' ' TYR . 39.2 m -136.04 -7.0 2.09 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.089 -0.959 . . . . 15.0 110.347 -173.332 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . 0.915 ' HA ' ' O ' ' A' ' 449' ' ' ASN 0.252 0.3 OUTLIER 54.79 92.11 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 122.96 1.362 . . . . 15.0 113.216 174.534 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild full ' A' A ' 454' ' ' TYR . . . . . 0.984 ' CD1' ' HB3' ' A' ' 449' ' ' ASN . 32.1 m-85 -113.61 142.18 46.29 Favored 'General case' 0 CA--C 1.508 -0.635 0 CA-C-N 112.538 -2.119 . . . . 15.0 108.8 -178.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 4.4 p -118.25 90.65 3.38 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 121.42 0.629 . . . . 15.0 110.227 168.158 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 3.5 t -117.84 123.16 45.23 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.345 -0.843 . . . . 15.0 110.691 -178.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.593 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 55.0 m95 -81.79 0.22 40.24 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 114.921 -1.036 . . . . 15.0 111.184 179.36 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -120.8 141.02 50.91 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.943 -0.571 . . . . 15.0 110.517 179.323 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 4.0 ttmp? -75.84 121.86 85.87 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.126 -0.488 . . . . 15.0 111.813 -176.017 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.81 ' HG2' ' HB2' ' A' ' 463' ' ' LEU . 46.4 Cg_endo -69.16 154.98 69.27 Favored 'Trans proline' 0 CA--C 1.53 0.32 0 C-N-CA 122.733 2.288 . . . . 15.0 111.296 172.271 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . 0.827 HE21 ' HA ' ' A' ' 461' ' ' GLN . 0.0 OUTLIER -74.67 -21.55 59.35 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.946 0.403 . . . . 15.0 110.927 -173.752 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -82.89 -2.46 54.91 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.034 -0.53 . . . . 15.0 111.391 179.184 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.81 ' HB2' ' HG2' ' A' ' 460' ' ' PRO . 1.5 tt -94.55 -6.54 43.46 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.463 0.649 . . . . 15.0 109.725 179.657 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . 0.402 ' HE2' ' HB2' ' A' ' 464' ' ' LYS . 7.1 ptmm? . . . . . 0 C--O 1.251 1.141 0 CA-C-N 115.928 -0.578 . . . . 15.0 110.515 179.218 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.835 0 N-CA-C 112.584 -0.206 . . . . 15.0 112.584 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -123.94 93.69 4.0 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.07 0.462 . . . . 15.0 110.197 178.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 6.1 p -113.32 100.02 8.23 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.978 -0.556 . . . . 15.0 110.948 -179.468 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -149.95 112.29 4.68 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.887 -0.597 . . . . 15.0 110.469 -179.298 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 3.1 m -85.19 76.49 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 121.585 0.707 . . . . 15.0 110.731 178.007 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 3.4 p -89.88 5.58 45.65 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.661 -0.699 . . . . 15.0 110.632 -178.382 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . 0.476 ' HG3' ' CD1' ' A' ' 435' ' ' TRP . 7.7 pt-20 -72.96 -17.75 61.44 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.588 -0.733 . . . . 15.0 111.45 177.778 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.526 ' HA ' ' HB2' ' A' ' 449' ' ' ASN . 47.4 m95 -89.55 145.71 25.09 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.211 -0.449 . . . . 15.0 110.057 -172.17 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.559 ' HB ' ' O ' ' A' ' 448' ' ' TYR . 1.1 m -127.6 123.76 36.47 Favored 'General case' 0 N--CA 1.415 -2.218 0 C-N-CA 119.731 -0.788 . . . . 15.0 109.283 -178.001 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . 0.478 ' HB3' ' CD1' ' A' ' 447' ' ' TYR . 0.5 OUTLIER -101.06 128.99 46.87 Favored 'General case' 0 C--N 1.304 -1.399 0 C-N-CA 118.355 -1.338 . . . . 15.0 111.088 176.678 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 47.6 m-85 -111.67 150.03 30.73 Favored 'General case' 0 C--N 1.31 -1.14 0 CA-C-N 114.632 -1.167 . . . . 15.0 109.371 179.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 0.591 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 0.0 OUTLIER -118.51 144.58 45.94 Favored 'General case' 0 CA--C 1.498 -1.053 0 CA-C-O 122.107 0.956 . . . . 15.0 112.279 176.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . 0.508 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 70.1 p -92.32 150.49 20.82 Favored 'General case' 0 C--N 1.301 -1.528 0 CA-C-N 113.537 -1.665 . . . . 15.0 107.653 169.303 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -57.14 -15.69 6.12 Favored 'General case' 0 C--N 1.314 -0.962 0 N-CA-C 112.463 0.542 . . . . 15.0 112.463 -179.19 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -93.58 3.68 55.13 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 121.132 0.491 . . . . 15.0 111.166 176.47 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.73 29.77 12.84 Favored Glycine 0 N--CA 1.449 -0.497 0 CA-C-N 115.98 -0.554 . . . . 15.0 113.227 170.443 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.591 ' O ' ' HA ' ' A' ' 439' ' ' LYS . 53.2 mttp -81.66 111.55 18.04 Favored 'General case' 0 CA--C 1.507 -0.694 0 N-CA-C 110.089 -0.337 . . . . 15.0 110.089 170.045 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 26.4 m -99.25 89.47 4.23 Favored 'General case' 0 N--CA 1.439 -0.976 0 C-N-CA 119.63 -0.828 . . . . 15.0 108.893 171.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . 0.539 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 18.1 p90 -102.08 150.02 23.67 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.425 -0.807 . . . . 15.0 110.138 175.495 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . 0.613 ' CD2' ' HD3' ' A' ' 460' ' ' PRO . 87.5 m-85 -103.42 109.13 20.65 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-O 122.098 0.951 . . . . 15.0 112.255 -171.565 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . 0.805 ' HA ' ' O ' ' A' ' 454' ' ' TYR . 37.4 t80 -109.83 111.09 22.3 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 113.833 -1.53 . . . . 15.0 108.537 173.155 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 1.062 ' HB3' ' HD1' ' A' ' 454' ' ' TYR . 1.3 t-20 -89.62 149.26 22.9 Favored 'General case' 0 CA--C 1.493 -1.233 0 O-C-N 121.804 -0.56 . . . . 15.0 110.477 -176.568 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 10.0 p30 -109.99 -3.67 16.37 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.193 -0.912 . . . . 15.0 111.473 -162.046 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 69.3 ttt180 -88.97 -64.4 1.15 Allowed 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.692 0.758 . . . . 15.0 109.166 173.527 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . 0.405 ' O ' ' HG ' ' A' ' 453' ' ' LEU . 0.0 OUTLIER -97.64 -4.91 36.52 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 114.49 -1.232 . . . . 15.0 110.87 -177.166 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . 0.999 ' HA ' ' O ' ' A' ' 449' ' ' ASN . 0.3 OUTLIER 49.21 100.61 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 122.762 1.268 . . . . 15.0 114.13 -178.936 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 454' ' ' TYR . . . . . 1.062 ' HD1' ' HB3' ' A' ' 449' ' ' ASN . 29.0 m-85 -120.61 150.17 41.33 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 113.028 -1.896 . . . . 15.0 108.931 -178.151 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 12.4 p -124.51 103.51 8.2 Favored 'General case' 0 C--N 1.317 -0.835 0 C-N-CA 120.289 -0.565 . . . . 15.0 109.963 162.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . 0.487 ' OG1' ' HG3' ' A' ' 458' ' ' GLU . 6.4 t -128.65 128.42 44.11 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.552 0.692 . . . . 15.0 110.551 176.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.539 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 95.5 m95 -81.22 0.09 38.2 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.1 -0.954 . . . . 15.0 111.636 178.681 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . 0.487 ' HG3' ' OG1' ' A' ' 456' ' ' THR . 0.5 OUTLIER -116.93 152.43 34.55 Favored 'General case' 0 N--CA 1.44 -0.927 0 CA-C-N 116.203 -0.453 . . . . 15.0 110.166 177.322 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . 0.48 ' HA ' ' CE2' ' A' ' 447' ' ' TYR . 22.9 ttmm -61.6 125.54 84.79 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 115.797 -0.638 . . . . 15.0 110.26 -178.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.613 ' HD3' ' CD2' ' A' ' 447' ' ' TYR . 54.5 Cg_exo -48.75 145.9 12.18 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 123.326 2.684 . . . . 15.0 112.95 -175.514 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 81.6 mm-40 -57.04 -24.14 51.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.073 -0.512 . . . . 15.0 110.856 177.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -94.92 -2.57 50.33 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.802 -0.635 . . . . 15.0 111.925 -179.7 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.43 HD13 ' HB2' ' A' ' 460' ' ' PRO . 9.3 mp -116.62 -7.72 11.55 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 111.674 0.25 . . . . 15.0 111.674 178.624 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . 0.542 ' HG3' ' O ' ' A' ' 460' ' ' PRO . 68.1 mttm . . . . . 0 C--O 1.248 0.994 0 CA-C-O 118.808 -0.615 . . . . 15.0 110.412 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.638 0 N-CA-C 111.609 -0.596 . . . . 15.0 111.609 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . 49.78 68.13 0.79 Allowed 'General case' 0 C--O 1.235 0.337 0 O-C-N 124.154 0.561 . . . . 15.0 111.735 -179.194 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 31.5 m 69.5 -69.03 0.17 Allowed 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.704 -0.68 . . . . 15.0 111.265 -177.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . 174.2 104.02 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 123.599 0.76 . . . . 15.0 109.031 -176.308 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . 0.429 ' HB ' ' HG2' ' A' ' 434' ' ' GLU . 19.0 m -78.08 113.6 17.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 121.596 0.712 . . . . 15.0 110.305 178.636 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 30.2 t -89.94 1.76 55.88 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.527 -0.76 . . . . 15.0 110.382 -176.281 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . 0.714 ' HB2' ' HG2' ' A' ' 451' ' ' ARG . 8.4 pt-20 -70.64 -24.15 62.66 Favored 'General case' 0 CA--C 1.511 -0.528 0 CA-C-N 115.924 -0.58 . . . . 15.0 111.17 -178.806 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.547 ' HA ' ' HB2' ' A' ' 449' ' ' ASN . 50.7 m95 -89.6 137.71 32.09 Favored 'General case' 0 CA--C 1.499 -1.018 0 N-CA-C 109.1 -0.704 . . . . 15.0 109.1 -177.581 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.711 ' HB ' ' O ' ' A' ' 448' ' ' TYR . 1.1 m -117.01 114.16 23.39 Favored 'General case' 0 N--CA 1.417 -2.099 0 C-N-CA 118.803 -1.159 . . . . 15.0 109.666 -175.331 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -89.8 131.52 35.7 Favored 'General case' 0 C--N 1.309 -1.156 0 C-N-CA 119.699 -0.801 . . . . 15.0 110.793 -175.622 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . 0.467 ' O ' ' HA ' ' A' ' 445' ' ' THR . 50.7 m-85 -119.43 150.03 40.89 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.249 -0.887 . . . . 15.0 110.051 177.434 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 1.034 ' HE2' ' HA2' ' A' ' 443' ' ' GLY . 41.4 tttm -132.21 127.54 36.02 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-N 115.304 -0.862 . . . . 15.0 109.352 176.018 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . 0.651 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 7.8 p -89.59 144.46 26.0 Favored 'General case' 0 N--CA 1.431 -1.385 0 N-CA-C 104.359 -2.46 . . . . 15.0 104.359 168.564 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -66.41 -1.3 3.35 Favored 'General case' 0 C--N 1.306 -1.285 0 N-CA-C 113.364 0.876 . . . . 15.0 113.364 -163.658 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . 0.461 ' OD2' ' HG3' ' A' ' 444' ' ' LYS . 7.8 p-10 -81.76 -0.62 43.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.799 0.809 . . . . 15.0 108.903 169.566 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . 1.034 ' HA2' ' HE2' ' A' ' 439' ' ' LYS . . . 90.59 26.04 23.91 Favored Glycine 0 CA--C 1.502 -0.726 0 CA-C-N 114.398 -1.274 . . . . 15.0 112.857 172.534 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.69 ' HD2' ' HZ3' ' A' ' 457' ' ' TRP . 30.3 mtmm -83.37 108.91 16.87 Favored 'General case' 0 CA--C 1.5 -0.966 0 C-N-CA 120.854 -0.338 . . . . 15.0 110.564 173.716 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . 0.467 ' HA ' ' O ' ' A' ' 438' ' ' TYR . 7.4 m -100.12 89.35 3.99 Favored 'General case' 0 C--N 1.311 -1.084 0 N-CA-C 109.072 -0.714 . . . . 15.0 109.072 177.543 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . 0.528 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 6.5 p90 -102.28 143.21 32.35 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 114.927 -1.033 . . . . 15.0 110.446 174.692 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -99.16 114.78 27.72 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.63 0.729 . . . . 15.0 112.008 -174.109 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . 0.886 ' HA ' ' O ' ' A' ' 454' ' ' TYR . 60.6 t80 -107.43 107.57 18.51 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 114.636 -1.165 . . . . 15.0 108.657 171.64 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 1.044 ' HB3' ' CD1' ' A' ' 454' ' ' TYR . 1.3 t-20 -89.66 148.51 23.27 Favored 'General case' 0 CA--C 1.493 -1.215 0 O-C-N 122.19 -0.319 . . . . 15.0 110.469 -175.375 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -110.59 -0.44 17.27 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 113.244 0.831 . . . . 15.0 113.244 -159.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 0.714 ' HG2' ' HB2' ' A' ' 434' ' ' GLU . 3.4 ptm180 -104.18 -27.33 12.12 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.469 -0.492 . . . . 15.0 110.608 173.576 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . 0.774 ' HB ' ' CE1' ' A' ' 454' ' ' TYR . 3.6 m -123.41 -7.47 8.13 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.912 -0.586 . . . . 15.0 110.027 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . 0.958 ' HA ' ' O ' ' A' ' 449' ' ' ASN 0.251 0.3 OUTLIER 50.61 94.3 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 122.809 1.29 . . . . 15.0 113.877 178.008 . . . . . . . . 4 4 . 1 . 010 nuclear nobuild full ' A' A ' 454' ' ' TYR . . . . . 1.044 ' CD1' ' HB3' ' A' ' 449' ' ' ASN . 27.5 m-85 -116.26 147.96 40.97 Favored 'General case' 0 CA--C 1.507 -0.708 0 CA-C-N 112.943 -1.935 . . . . 15.0 108.788 -179.282 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 20.2 p -117.51 89.9 3.22 Favored 'General case' 0 C--N 1.314 -0.977 0 N-CA-C 108.508 -0.923 . . . . 15.0 108.508 160.153 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 4.0 m -115.25 110.13 18.98 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 114.57 -1.196 . . . . 15.0 110.586 -171.223 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.69 ' HZ3' ' HD2' ' A' ' 444' ' ' LYS . 86.2 m95 -77.31 -0.12 24.32 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.184 -0.462 . . . . 15.0 111.831 -178.25 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -121.09 151.72 39.52 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 116.257 -0.429 . . . . 15.0 110.078 -179.194 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 18.6 ttmm -76.31 118.35 70.76 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 116.467 -0.333 . . . . 15.0 110.397 -178.438 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.879 ' HG2' ' HB2' ' A' ' 463' ' ' LEU . 36.9 Cg_endo -66.24 148.56 84.93 Favored 'Trans proline' 0 C--O 1.234 0.303 0 C-N-CA 122.985 2.456 . . . . 15.0 112.251 179.478 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -66.51 -24.61 66.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 15.0 111.32 -177.232 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 5.2 pm0 -79.0 -11.59 60.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.281 0.562 . . . . 15.0 110.786 179.047 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.879 ' HB2' ' HG2' ' A' ' 460' ' ' PRO . 8.9 tp -96.28 -6.59 37.53 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.054 -0.521 . . . . 15.0 109.697 -179.68 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 9.2 mtpm? . . . . . 0 C--O 1.245 0.844 0 CA-C-O 118.241 -0.885 . . . . 15.0 109.908 179.693 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.496 0 N-CA-C 111.512 -0.635 . . . . 15.0 111.512 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . 0.439 ' HA ' ' O ' ' A' ' 432' ' ' VAL . . . -88.23 73.13 8.96 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.145 0.498 . . . . 15.0 111.34 -176.481 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 16.7 m -82.01 -38.36 25.16 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.846 -0.615 . . . . 15.0 109.775 175.284 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -150.2 -49.34 0.13 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.245 -0.889 . . . . 15.0 108.919 177.576 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . 0.553 ' HB ' ' OE1' ' A' ' 434' ' ' GLU . 27.3 m -93.36 160.5 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.272 -0.877 . . . . 15.0 109.24 171.745 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 22.6 t -146.33 3.39 0.89 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.679 0.276 . . . . 15.0 111.52 -175.555 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . 0.553 ' OE1' ' HB ' ' A' ' 432' ' ' VAL . 1.5 pm0 -71.44 -32.05 67.9 Favored 'General case' 0 CA--C 1.51 -0.568 0 CA-C-O 121.185 0.516 . . . . 15.0 111.107 176.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.432 ' CZ3' ' HG3' ' A' ' 460' ' ' PRO . 42.5 m95 -89.63 145.75 25.03 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 115.554 -0.748 . . . . 15.0 110.126 -174.343 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.703 ' HB ' ' O ' ' A' ' 448' ' ' TYR . 1.1 m -125.65 145.42 50.17 Favored 'General case' 0 N--CA 1.411 -2.414 0 N-CA-C 108.837 -0.801 . . . . 15.0 108.837 179.48 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -111.76 128.67 56.17 Favored 'General case' 0 C--N 1.306 -1.302 0 C-N-CA 119.718 -0.793 . . . . 15.0 110.273 169.089 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -116.31 149.93 38.48 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 115.917 -0.583 . . . . 15.0 110.148 178.148 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 0.626 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 0.1 OUTLIER -122.38 143.38 49.69 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 115.52 -0.763 . . . . 15.0 111.514 178.88 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . 0.623 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 19.6 p -89.77 150.9 22.07 Favored 'General case' 0 C--N 1.31 -1.145 0 N-CA-C 107.072 -1.455 . . . . 15.0 107.072 166.311 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -46.66 -27.47 1.18 Allowed 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 112.771 0.656 . . . . 15.0 112.771 -176.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . 0.584 ' OD2' ' HG3' ' A' ' 444' ' ' LYS . 6.0 p-10 -79.73 -3.26 46.69 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-O 120.867 0.365 . . . . 15.0 111.889 178.826 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.45 30.04 12.91 Favored Glycine 0 CA--C 1.501 -0.791 0 CA-C-N 116.151 -0.477 . . . . 15.0 112.798 170.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.671 ' HD2' ' CZ3' ' A' ' 457' ' ' TRP . 29.8 mtmm -78.58 109.88 13.19 Favored 'General case' 0 CA--C 1.502 -0.873 0 C-N-CA 120.926 -0.31 . . . . 15.0 110.416 171.757 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . 0.523 HG23 ' HD2' ' A' ' 439' ' ' LYS . 23.3 m -94.4 89.43 5.87 Favored 'General case' 0 N--CA 1.436 -1.144 0 N-CA-C 109.231 -0.655 . . . . 15.0 109.231 177.572 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . 0.582 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 10.5 p90 -103.01 148.13 26.08 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.684 -0.689 . . . . 15.0 110.28 173.288 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . 0.469 ' CD2' ' HD3' ' A' ' 460' ' ' PRO . 64.0 m-85 -96.9 113.23 24.76 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.926 0.87 . . . . 15.0 112.02 -173.456 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . 0.861 ' HA ' ' O ' ' A' ' 454' ' ' TYR . 45.9 t80 -112.68 111.15 21.75 Favored 'General case' 0 C--O 1.213 -0.843 0 CA-C-N 114.016 -1.447 . . . . 15.0 108.563 174.818 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 1.035 ' HB3' ' CD1' ' A' ' 454' ' ' TYR . 1.5 t-20 -89.81 146.91 24.11 Favored 'General case' 0 CA--C 1.491 -1.304 0 O-C-N 121.814 -0.554 . . . . 15.0 110.784 -176.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -111.46 1.68 17.09 Favored 'General case' 0 N--CA 1.443 -0.818 0 CA-C-N 115.372 -0.831 . . . . 15.0 112.312 -161.561 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 0.444 ' NH1' ' HB3' ' A' ' 434' ' ' GLU . 36.3 ttp180 -93.88 -37.44 11.72 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.943 0.877 . . . . 15.0 109.78 171.667 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . 0.425 ' O ' ' HG ' ' A' ' 453' ' ' LEU . 0.1 OUTLIER -127.88 -3.28 5.86 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 114.784 -1.098 . . . . 15.0 110.724 -172.347 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . 0.943 ' HA ' ' O ' ' A' ' 449' ' ' ASN . 0.2 OUTLIER 51.01 93.34 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 122.852 1.311 . . . . 15.0 113.895 176.463 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 454' ' ' TYR . . . . . 1.035 ' CD1' ' HB3' ' A' ' 449' ' ' ASN . 28.5 m-85 -115.81 148.25 40.1 Favored 'General case' 0 CA--C 1.511 -0.554 0 CA-C-N 112.775 -2.011 . . . . 15.0 108.555 -179.682 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 2.4 p -124.03 97.68 5.45 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-O 121.273 0.558 . . . . 15.0 109.915 166.231 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 5.0 t -127.77 123.65 35.81 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 115.773 -0.649 . . . . 15.0 110.78 -178.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.671 ' CZ3' ' HD2' ' A' ' 444' ' ' LYS . 71.5 m95 -76.97 -5.4 48.47 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.652 -0.704 . . . . 15.0 110.842 175.777 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -112.26 143.01 44.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.719 0.295 . . . . 15.0 110.369 -179.299 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . 0.504 ' HA ' ' HD3' ' A' ' 460' ' ' PRO . 38.0 ttmt -60.43 133.4 91.02 Favored Pre-proline 0 CA--C 1.534 0.347 0 CA-C-N 115.633 -0.712 . . . . 15.0 112.194 -173.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.504 ' HD3' ' HA ' ' A' ' 459' ' ' LYS . 19.9 Cg_exo -65.53 152.66 81.18 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 123.56 2.84 . . . . 15.0 112.266 178.016 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -72.13 -22.75 61.28 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.198 -0.456 . . . . 15.0 111.497 -177.017 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -84.86 -5.14 59.34 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.717 0.294 . . . . 15.0 111.267 177.641 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 10.7 mp -105.94 9.75 32.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.965 0.412 . . . . 15.0 110.162 175.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 30.2 mmmt . . . . . 0 C--O 1.248 0.979 0 CA-C-O 118.52 -0.753 . . . . 15.0 111.117 -178.961 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.504 0 N-CA-C 112.018 -0.433 . . . . 15.0 112.018 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -87.67 152.33 22.24 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.918 0.389 . . . . 15.0 110.81 179.329 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 27.9 m -144.95 -56.73 0.34 Allowed 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.123 -0.695 . . . . 15.0 109.123 175.024 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -117.46 -61.84 1.65 Allowed 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.997 -0.742 . . . . 15.0 108.997 171.161 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 33.7 m -77.89 132.6 32.23 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.759 0 N-CA-C 108.442 -0.947 . . . . 15.0 108.442 173.107 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 34.1 m -118.06 6.55 12.11 Favored 'General case' 0 C--N 1.309 -1.19 0 CA-C-N 116.193 -0.458 . . . . 15.0 110.704 -175.522 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . 0.954 ' HB2' ' HG2' ' A' ' 451' ' ' ARG . 10.8 pt-20 -77.26 -33.94 55.86 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-N 115.829 -0.623 . . . . 15.0 111.468 -179.528 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.531 ' CD1' ' HG3' ' A' ' 434' ' ' GLU . 52.2 m95 -89.61 148.92 23.07 Favored 'General case' 0 CA--C 1.506 -0.719 0 CA-C-O 120.811 0.339 . . . . 15.0 110.182 -172.054 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.573 ' HB ' ' O ' ' A' ' 448' ' ' TYR . 1.1 m -135.42 149.93 49.74 Favored 'General case' 0 N--CA 1.417 -2.12 0 C-N-CA 120.143 -0.623 . . . . 15.0 109.615 177.246 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . 0.531 ' HB3' ' CD1' ' A' ' 447' ' ' TYR . 0.1 OUTLIER -119.5 136.15 54.46 Favored 'General case' 0 C--N 1.308 -1.202 0 CA-C-O 121.288 0.566 . . . . 15.0 111.178 171.867 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 36.2 m-85 -128.09 150.03 50.14 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.688 -0.687 . . . . 15.0 109.981 178.569 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 0.635 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 3.8 mppt? -111.64 146.85 36.72 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.679 0.752 . . . . 15.0 111.635 175.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . 0.709 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 0.8 OUTLIER -101.66 150.21 23.34 Favored 'General case' 0 C--N 1.306 -1.305 0 CA-C-N 114.012 -1.449 . . . . 15.0 107.682 165.867 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -35.79 -40.62 0.19 Allowed 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 115.549 1.685 . . . . 15.0 115.549 -167.331 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -78.92 4.36 14.4 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 118.431 0.56 . . . . 15.0 111.752 -175.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.48 29.68 13.59 Favored Glycine 0 N--CA 1.448 -0.558 0 CA-C-N 116.048 -0.523 . . . . 15.0 112.381 174.455 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.709 ' HB2' ' OG1' ' A' ' 440' ' ' THR . 61.1 mttp -78.61 110.47 13.76 Favored 'General case' 0 CA--C 1.505 -0.785 0 CA-C-N 115.75 -0.225 . . . . 15.0 110.469 173.427 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 17.3 m -97.27 89.43 4.75 Favored 'General case' 0 N--CA 1.436 -1.126 0 C-N-CA 119.832 -0.747 . . . . 15.0 109.686 176.709 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . 0.516 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 26.2 p90 -95.24 142.04 28.12 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.444 -0.798 . . . . 15.0 109.819 170.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . 0.531 ' CD1' ' HB3' ' A' ' 437' ' ' GLU . 97.5 m-85 -92.47 106.0 18.07 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-O 121.815 0.817 . . . . 15.0 111.682 -174.334 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . 0.874 ' HA ' ' O ' ' A' ' 454' ' ' TYR . 50.1 t80 -98.34 111.5 23.82 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-N 114.361 -1.29 . . . . 15.0 109.118 173.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.999 ' HB3' ' CD1' ' A' ' 454' ' ' TYR . 1.4 t-20 -89.84 147.41 23.79 Favored 'General case' 0 CA--C 1.494 -1.197 0 O-C-N 121.657 -0.652 . . . . 15.0 110.686 -178.763 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -113.35 3.75 16.04 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-N 115.538 -0.756 . . . . 15.0 112.89 -159.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 0.954 ' HG2' ' HB2' ' A' ' 434' ' ' GLU . 0.9 OUTLIER -98.16 -28.76 13.58 Favored 'General case' 0 CA--C 1.519 -0.246 0 C-N-CA 120.381 -0.528 . . . . 15.0 109.834 171.407 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . 0.667 ' HB ' ' CE1' ' A' ' 454' ' ' TYR . 27.1 m -132.54 -8.84 3.24 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.282 -0.872 . . . . 15.0 110.467 -173.276 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . 0.893 ' HA ' ' O ' ' A' ' 449' ' ' ASN 0.271 1.8 pp 57.26 96.3 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 123.185 1.469 . . . . 15.0 113.971 175.33 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 454' ' ' TYR . . . . . 0.999 ' CD1' ' HB3' ' A' ' 449' ' ' ASN . 29.8 m-85 -120.39 145.58 47.03 Favored 'General case' 0 CA--C 1.509 -0.601 0 CA-C-N 112.651 -2.068 . . . . 15.0 109.091 -177.566 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 4.1 p -119.62 98.61 6.2 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 121.132 0.491 . . . . 15.0 109.931 165.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 2.7 t -123.57 124.31 42.53 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.371 0.605 . . . . 15.0 110.722 179.555 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.516 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 83.7 m95 -80.16 -0.2 35.0 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.384 -0.825 . . . . 15.0 111.229 179.359 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -117.39 144.63 44.76 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.523 -0.547 . . . . 15.0 109.523 179.522 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . 0.775 ' HE3' ' HB3' ' A' ' 464' ' ' LYS . 38.6 ttpt -75.85 122.52 87.17 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 116.194 -0.457 . . . . 15.0 110.512 -178.35 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.513 ' CG ' HD12 ' A' ' 463' ' ' LEU . 74.2 Cg_endo -75.73 156.22 39.75 Favored 'Trans proline' 0 C--O 1.234 0.293 0 C-N-CA 122.876 2.384 . . . . 15.0 112.225 -178.764 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . 0.446 ' HA ' ' CG ' ' A' ' 464' ' ' LYS . 25.7 tp60 -58.83 -28.42 66.03 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 115.997 -0.547 . . . . 15.0 112.084 -174.222 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . 0.494 ' OE2' ' HB2' ' A' ' 460' ' ' PRO . 2.3 pm0 -77.86 -10.78 59.74 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 111.821 0.304 . . . . 15.0 111.821 -179.667 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.513 HD12 ' CG ' ' A' ' 460' ' ' PRO . 30.4 mt -105.49 -7.52 18.62 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.965 0.412 . . . . 15.0 111.046 178.175 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . 0.775 ' HB3' ' HE3' ' A' ' 459' ' ' LYS . 18.2 ptmt . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.295 -0.86 . . . . 15.0 110.872 -177.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.731 0 N-CA-C 112.009 -0.436 . . . . 15.0 112.009 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -66.12 103.83 1.04 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.096 0.474 . . . . 15.0 110.898 -178.253 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 14.8 p -128.27 137.0 51.79 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.595 -0.73 . . . . 15.0 109.976 178.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -82.83 72.22 9.91 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.417 0.627 . . . . 15.0 110.348 -178.311 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . 0.515 ' O ' HG23 ' A' ' 432' ' ' VAL . 17.0 m -80.62 86.89 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 121.931 0.872 . . . . 15.0 110.523 179.337 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 3.6 m -89.97 -0.57 57.65 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-O 121.271 0.558 . . . . 15.0 110.253 -178.532 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . 0.538 ' HB2' ' HB3' ' A' ' 451' ' ' ARG . 8.3 pt-20 -73.77 -25.9 60.38 Favored 'General case' 0 CA--C 1.513 -0.466 0 CA-C-N 115.432 -0.803 . . . . 15.0 110.287 175.005 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.481 ' CD1' ' HG3' ' A' ' 434' ' ' GLU . 43.2 m95 -89.9 141.7 28.39 Favored 'General case' 0 CA--C 1.504 -0.792 0 CA-C-N 115.553 -0.748 . . . . 15.0 109.837 -174.299 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.685 ' HB ' ' O ' ' A' ' 448' ' ' TYR . 1.1 m -126.97 142.53 51.53 Favored 'General case' 0 N--CA 1.417 -2.083 0 C-N-CA 119.662 -0.815 . . . . 15.0 109.351 -178.337 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -113.62 129.81 56.5 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-O 121.603 0.716 . . . . 15.0 111.031 173.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -123.84 150.16 44.9 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.358 -0.837 . . . . 15.0 110.167 178.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 0.586 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 3.3 mppt? -122.77 148.02 45.83 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-O 121.882 0.849 . . . . 15.0 111.458 172.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . 0.578 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 17.7 p -94.94 150.48 20.12 Favored 'General case' 0 C--N 1.306 -1.324 0 CA-C-N 113.845 -1.525 . . . . 15.0 107.323 166.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -38.54 -33.96 0.12 Allowed 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 114.223 1.194 . . . . 15.0 114.223 -176.281 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . 0.423 ' OD2' ' HG3' ' A' ' 444' ' ' LYS . 8.0 p-10 -78.24 -3.85 44.87 Favored 'General case' 0 N--CA 1.469 0.524 0 O-C-N 122.122 -0.361 . . . . 15.0 111.649 -178.167 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.38 29.9 13.34 Favored Glycine 0 CA--C 1.505 -0.582 0 CA-C-N 116.362 -0.381 . . . . 15.0 112.743 174.008 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.586 ' O ' ' HA ' ' A' ' 439' ' ' LYS . 37.0 mttm -72.5 110.57 6.98 Favored 'General case' 0 CA--C 1.504 -0.815 0 N-CA-C 109.936 -0.394 . . . . 15.0 109.936 171.383 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 18.2 m -93.78 89.21 6.07 Favored 'General case' 0 N--CA 1.434 -1.244 0 C-N-CA 119.088 -1.045 . . . . 15.0 109.017 175.458 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . 0.579 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 4.4 p90 -102.56 141.45 35.36 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.73 -0.668 . . . . 15.0 110.102 171.434 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 68.4 m-85 -96.36 109.81 22.26 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-O 121.63 0.728 . . . . 15.0 111.173 -175.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . 0.831 ' HA ' ' O ' ' A' ' 454' ' ' TYR . 56.2 t80 -104.95 112.57 25.75 Favored 'General case' 0 C--O 1.21 -1.019 0 CA-C-N 114.451 -1.249 . . . . 15.0 108.633 174.776 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 1.045 ' HB3' ' HD1' ' A' ' 454' ' ' TYR . 1.0 OUTLIER -89.57 147.24 24.05 Favored 'General case' 0 CA--C 1.496 -1.128 0 O-C-N 121.804 -0.56 . . . . 15.0 110.455 -178.855 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -110.13 -4.11 15.99 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.522 -0.763 . . . . 15.0 111.61 -163.316 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 0.538 ' HB3' ' HB2' ' A' ' 434' ' ' GLU . 61.0 ttt180 -88.49 -46.99 8.66 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.557 -0.747 . . . . 15.0 109.829 174.753 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -119.54 -1.75 10.62 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 114.856 -1.065 . . . . 15.0 110.824 -175.433 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . 0.968 ' HA ' ' O ' ' A' ' 449' ' ' ASN . 0.3 OUTLIER 49.27 98.92 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 122.846 1.308 . . . . 15.0 114.327 179.485 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 454' ' ' TYR . . . . . 1.045 ' HD1' ' HB3' ' A' ' 449' ' ' ASN . 55.4 m-85 -121.12 149.38 42.85 Favored 'General case' 0 CA--C 1.51 -0.561 0 CA-C-N 113.11 -1.859 . . . . 15.0 109.112 -179.246 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 11.2 p -122.58 95.09 4.5 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-O 121.412 0.625 . . . . 15.0 109.635 164.662 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 4.6 t -121.84 121.34 36.95 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 115.575 -0.739 . . . . 15.0 110.775 -178.334 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.579 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 60.8 m95 -81.35 -4.95 57.23 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.506 -0.77 . . . . 15.0 109.857 177.01 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -103.21 142.84 33.47 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.608 -0.723 . . . . 15.0 109.85 179.143 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . 0.449 ' HE3' ' O ' ' A' ' 463' ' ' LEU . 44.0 tttp -80.72 120.67 79.72 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 116.109 -0.496 . . . . 15.0 110.746 -177.219 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.669 ' HD2' HD12 ' A' ' 463' ' ' LEU . 66.0 Cg_endo -76.05 158.31 38.13 Favored 'Trans proline' 0 C--O 1.237 0.427 0 C-N-CA 122.615 2.21 . . . . 15.0 111.809 178.506 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 76.8 mm-40 -73.42 -9.51 58.77 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.366 0.506 . . . . 15.0 112.366 -170.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . 0.561 ' OE2' ' HB2' ' A' ' 460' ' ' PRO . 1.9 pm0 -86.8 -11.46 50.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.972 0.415 . . . . 15.0 110.972 174.039 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.669 HD12 ' HD2' ' A' ' 460' ' ' PRO . 60.5 mt -100.98 -1.64 33.86 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.239 -0.437 . . . . 15.0 110.123 176.023 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 61.2 tttp . . . . . 0 C--O 1.248 0.99 0 CA-C-N 115.573 -0.739 . . . . 15.0 110.459 -176.834 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.818 0 N-CA-C 112.046 -0.422 . . . . 15.0 112.046 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -111.73 149.77 31.18 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 110.343 -0.243 . . . . 15.0 110.343 179.565 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 28.2 m -74.72 -51.09 15.18 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.359 -0.382 . . . . 15.0 110.776 179.706 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -103.06 136.79 42.21 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.293 -0.412 . . . . 15.0 110.697 179.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . 0.486 ' HB ' ' HG2' ' A' ' 434' ' ' GLU . 20.0 m -88.23 144.46 9.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.221 -0.445 . . . . 15.0 110.698 179.636 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 23.3 t -112.98 3.13 16.06 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.15 0.5 . . . . 15.0 110.108 -177.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . 0.544 ' HG3' ' CD1' ' A' ' 435' ' ' TRP . 10.0 pt-20 -69.0 -19.63 64.13 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.713 -0.676 . . . . 15.0 112.161 -178.379 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.544 ' CD1' ' HG3' ' A' ' 434' ' ' GLU . 56.8 m95 -89.68 143.38 26.85 Favored 'General case' 0 C--N 1.311 -1.089 0 CA-C-N 116.145 -0.48 . . . . 15.0 110.505 -171.822 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.67 ' HB ' ' O ' ' A' ' 448' ' ' TYR . 1.1 m -122.56 143.81 49.5 Favored 'General case' 0 N--CA 1.413 -2.28 0 N-CA-C 109.004 -0.739 . . . . 15.0 109.004 179.191 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -112.48 132.25 55.17 Favored 'General case' 0 C--N 1.308 -1.204 0 CA-C-O 121.635 0.731 . . . . 15.0 110.971 174.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -128.32 150.37 50.1 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.281 -0.872 . . . . 15.0 110.359 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 0.588 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 0.0 OUTLIER -121.93 146.27 47.29 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-O 121.87 0.843 . . . . 15.0 112.181 176.775 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . 0.639 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 16.1 p -90.37 150.83 21.71 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-N 114.081 -1.418 . . . . 15.0 107.926 164.639 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -45.14 -25.67 0.38 Allowed 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 113.538 0.94 . . . . 15.0 113.538 -178.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . 0.525 ' OD2' ' HG3' ' A' ' 444' ' ' LYS . 6.3 p-10 -83.83 -3.16 57.66 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-O 120.921 0.391 . . . . 15.0 111.576 179.652 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.66 30.01 12.54 Favored Glycine 0 CA--C 1.504 -0.654 0 CA-C-N 116.108 -0.496 . . . . 15.0 112.92 172.485 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.639 ' HB2' ' OG1' ' A' ' 440' ' ' THR . 57.6 mttp -77.42 107.12 9.62 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.971 -0.381 . . . . 15.0 109.971 170.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 23.8 m -92.03 89.25 6.89 Favored 'General case' 0 N--CA 1.439 -1.009 0 C-N-CA 119.479 -0.888 . . . . 15.0 109.116 174.583 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . 0.529 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 21.7 p90 -99.8 146.0 27.08 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.465 -0.789 . . . . 15.0 109.776 172.131 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 -96.31 105.08 17.09 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.821 0.819 . . . . 15.0 111.715 -176.186 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . 0.891 ' HA ' ' O ' ' A' ' 454' ' ' TYR . 50.5 t80 -96.73 108.18 20.78 Favored 'General case' 0 N--CA 1.44 -0.93 0 CA-C-N 114.203 -1.362 . . . . 15.0 109.015 173.801 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 1.009 ' HB3' ' CD1' ' A' ' 454' ' ' TYR . 2.8 t-20 -90.01 146.57 24.26 Favored 'General case' 0 CA--C 1.491 -1.308 0 O-C-N 121.955 -0.466 . . . . 15.0 110.48 -177.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -110.65 4.94 20.59 Favored 'General case' 0 N--CA 1.445 -0.725 0 O-C-N 124.085 0.866 . . . . 15.0 113.208 -156.557 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 0.445 ' HD3' ' OE1' ' A' ' 434' ' ' GLU . 2.3 ptm180 -104.8 -24.29 12.92 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.196 0.522 . . . . 15.0 110.276 171.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . 0.769 ' HB ' ' CE1' ' A' ' 454' ' ' TYR . 11.8 m -129.2 -14.16 4.36 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.666 -0.697 . . . . 15.0 110.41 -176.395 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . 0.869 ' HA ' ' O ' ' A' ' 449' ' ' ASN 0.303 2.8 pp 58.49 88.59 0.06 Allowed 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 123.465 1.602 . . . . 15.0 113.319 177.576 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 454' ' ' TYR . . . . . 1.009 ' CD1' ' HB3' ' A' ' 449' ' ' ASN . 27.9 m-85 -109.8 142.7 40.69 Favored 'General case' 0 CA--C 1.511 -0.545 0 CA-C-N 112.139 -2.3 . . . . 15.0 109.085 -179.133 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 5.1 p -117.59 97.89 6.11 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.76 -0.459 . . . . 15.0 109.76 165.487 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 5.1 t -125.65 125.14 42.62 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.433 0.635 . . . . 15.0 110.849 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.549 ' CZ3' ' HD3' ' A' ' 444' ' ' LYS . 30.1 m95 -81.01 -2.84 49.6 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.278 -0.874 . . . . 15.0 110.718 177.449 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -112.75 140.22 47.72 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 108.788 -0.819 . . . . 15.0 108.788 176.323 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -68.56 125.6 91.89 Favored Pre-proline 0 C--N 1.324 -0.538 0 N-CA-C 110.049 -0.352 . . . . 15.0 110.049 -179.061 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.633 ' HG2' ' HB2' ' A' ' 463' ' ' LEU . 11.0 Cg_endo -55.89 143.99 79.61 Favored 'Trans proline' 0 C--O 1.234 0.288 0 C-N-CA 123.028 2.485 . . . . 15.0 112.43 177.725 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 25.7 tp60 -65.32 -22.13 66.79 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.983 -0.553 . . . . 15.0 111.107 -177.502 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -91.15 0.13 57.59 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.317 -0.402 . . . . 15.0 111.469 179.062 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.633 ' HB2' ' HG2' ' A' ' 460' ' ' PRO . 12.1 tp -114.29 -10.71 12.67 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.907 0.384 . . . . 15.0 110.779 179.816 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt . . . . . 0 C--O 1.247 0.943 0 CA-C-O 118.379 -0.819 . . . . 15.0 110.37 -179.958 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.565 0 N-CA-C 111.951 -0.46 . . . . 15.0 111.951 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -99.88 139.18 35.92 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.693 0.283 . . . . 15.0 110.361 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 5.0 m -77.86 88.72 4.06 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.069 0.462 . . . . 15.0 110.621 179.675 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -112.07 126.97 55.75 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.985 -0.552 . . . . 15.0 110.098 178.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 29.3 m -83.1 136.7 22.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 120.977 0.417 . . . . 15.0 110.426 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 21.4 m -110.09 2.41 19.49 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.239 -0.437 . . . . 15.0 110.824 179.348 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . 0.489 ' OE1' ' HD3' ' A' ' 451' ' ' ARG . 11.5 pt-20 -77.84 -27.95 50.01 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-O 121.088 0.47 . . . . 15.0 110.911 178.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.59 ' HA ' ' HB2' ' A' ' 449' ' ' ASN . 52.3 m95 -89.67 138.02 31.83 Favored 'General case' 0 CA--C 1.502 -0.877 0 N-CA-C 108.744 -0.836 . . . . 15.0 108.744 -176.615 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.621 ' HB ' ' O ' ' A' ' 448' ' ' TYR . 1.1 m -121.12 113.79 20.52 Favored 'General case' 0 N--CA 1.417 -2.078 0 C-N-CA 118.897 -1.121 . . . . 15.0 110.198 -174.532 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.98 128.98 36.36 Favored 'General case' 0 C--N 1.312 -1.064 0 C-N-CA 118.876 -1.129 . . . . 15.0 111.275 -176.609 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -118.95 150.18 40.36 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.176 -0.92 . . . . 15.0 110.137 179.394 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 0.61 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 2.4 mppt? -121.91 147.83 45.52 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.734 0.778 . . . . 15.0 111.489 176.51 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . 0.471 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 81.2 p -90.03 150.91 21.9 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-N 114.149 -1.387 . . . . 15.0 107.661 167.384 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -46.94 -24.27 0.58 Allowed 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 112.85 0.685 . . . . 15.0 112.85 177.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . 0.42 ' OD2' ' HG3' ' A' ' 444' ' ' LYS . 6.5 p-10 -89.9 -0.56 57.64 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-O 121.062 0.458 . . . . 15.0 111.443 178.068 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.88 29.85 12.35 Favored Glycine 0 CA--C 1.504 -0.618 0 CA-C-N 116.09 -0.504 . . . . 15.0 112.937 170.26 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.61 ' O ' ' HA ' ' A' ' 439' ' ' LYS . 59.7 mttp -73.93 107.95 6.46 Favored 'General case' 0 CA--C 1.503 -0.854 0 N-CA-C 109.68 -0.489 . . . . 15.0 109.68 169.58 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 23.5 m -93.77 89.35 6.13 Favored 'General case' 0 N--CA 1.437 -1.118 0 C-N-CA 119.479 -0.888 . . . . 15.0 109.033 175.091 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . 0.589 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 7.2 p90 -102.85 145.52 29.67 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.237 -0.892 . . . . 15.0 110.066 172.497 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -98.57 117.79 33.8 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.473 0.654 . . . . 15.0 111.929 -174.255 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . 0.902 ' HA ' ' O ' ' A' ' 454' ' ' TYR . 54.7 t80 -115.16 106.51 14.16 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.663 -1.153 . . . . 15.0 109.261 174.655 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 1.025 ' HB3' ' CD1' ' A' ' 454' ' ' TYR . 1.5 t-20 -89.66 147.38 23.92 Favored 'General case' 0 CA--C 1.492 -1.275 0 O-C-N 122.298 -0.251 . . . . 15.0 110.535 -173.556 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . 0.405 ' ND2' ' OG1' ' A' ' 436' ' ' THR . 9.2 p30 -109.92 3.8 20.91 Favored 'General case' 0 N--CA 1.447 -0.6 0 N-CA-C 113.337 0.866 . . . . 15.0 113.337 -158.594 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 0.489 ' HD3' ' OE1' ' A' ' 434' ' ' GLU . 8.0 ptm180 -103.45 -27.46 12.38 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.382 0.611 . . . . 15.0 110.265 172.164 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . 0.787 ' HB ' ' CE1' ' A' ' 454' ' ' TYR . 13.3 m -127.58 -8.93 5.66 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.504 -0.771 . . . . 15.0 110.352 -176.809 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . 0.904 ' HA ' ' O ' ' A' ' 449' ' ' ASN 0.262 0.3 OUTLIER 53.6 89.16 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 122.92 1.343 . . . . 15.0 113.372 176.602 . . . . . . . . 4 4 . 1 . 015 nuclear nobuild full ' A' A ' 454' ' ' TYR . . . . . 1.025 ' CD1' ' HB3' ' A' ' 449' ' ' ASN . 29.6 m-85 -110.5 147.07 34.86 Favored 'General case' 0 CA--C 1.508 -0.645 0 CA-C-N 112.436 -2.165 . . . . 15.0 108.769 -179.451 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 3.7 p -125.56 103.18 7.73 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 109.637 -0.505 . . . . 15.0 109.637 165.481 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 8.7 t -136.86 127.15 26.44 Favored 'General case' 0 N--CA 1.441 -0.89 0 CA-C-O 121.669 0.747 . . . . 15.0 111.557 -179.45 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.589 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 24.1 m95 -77.75 -0.37 26.73 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.962 -1.017 . . . . 15.0 110.355 173.169 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -104.0 124.84 49.75 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.227 -0.442 . . . . 15.0 110.029 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . 1.105 ' HD3' ' HA ' ' A' ' 464' ' ' LYS . 8.6 ttmm -63.31 116.93 29.05 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 115.896 -0.593 . . . . 15.0 110.505 179.546 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.845 ' HG2' ' HB2' ' A' ' 463' ' ' LEU . 30.7 Cg_endo -65.26 158.53 51.83 Favored 'Trans proline' 0 CA--C 1.528 0.224 0 C-N-CA 122.818 2.345 . . . . 15.0 112.132 178.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -65.63 -30.47 71.18 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.995 -0.548 . . . . 15.0 111.727 -173.12 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . 0.483 ' OE2' ' HB2' ' A' ' 460' ' ' PRO . 1.5 pm0 -85.58 0.29 52.96 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.947 0.403 . . . . 15.0 110.745 179.819 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.845 ' HB2' ' HG2' ' A' ' 460' ' ' PRO . 0.5 OUTLIER -123.89 8.74 8.74 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.148 -0.478 . . . . 15.0 109.744 179.868 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . 1.105 ' HA ' ' HD3' ' A' ' 459' ' ' LYS . 62.8 tttp . . . . . 0 C--O 1.251 1.18 0 CA-C-O 118.457 -0.782 . . . . 15.0 110.856 -175.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.787 0 N-CA-C 112.21 -0.356 . . . . 15.0 112.21 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -159.32 170.25 22.24 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.887 -0.412 . . . . 15.0 109.887 -178.493 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 27.6 m -55.69 114.01 1.7 Allowed 'General case' 0 C--N 1.321 -0.647 0 O-C-N 123.672 0.607 . . . . 15.0 110.863 178.284 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . 64.84 84.82 0.15 Allowed 'General case' 0 N--CA 1.463 0.219 0 O-C-N 123.769 0.668 . . . . 15.0 111.481 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 18.4 m -88.49 140.86 15.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 121.338 0.59 . . . . 15.0 110.931 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 8.0 t -138.12 12.15 2.84 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.782 -0.645 . . . . 15.0 109.409 179.006 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . 0.712 ' HB2' ' HG2' ' A' ' 451' ' ' ARG . 8.6 pt-20 -73.93 -23.92 59.6 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-N 115.873 -0.603 . . . . 15.0 111.729 -176.425 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.46 ' CD1' ' HG3' ' A' ' 434' ' ' GLU . 34.0 m95 -89.81 133.31 34.79 Favored 'General case' 0 CA--C 1.5 -0.953 0 CA-C-N 116.096 -0.502 . . . . 15.0 109.705 -174.323 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.747 ' HB ' ' O ' ' A' ' 448' ' ' TYR . 1.1 m -114.17 138.09 50.9 Favored 'General case' 0 N--CA 1.413 -2.304 0 N-CA-C 108.525 -0.917 . . . . 15.0 108.525 -176.51 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -112.0 130.28 55.91 Favored 'General case' 0 C--N 1.305 -1.343 0 CA-C-O 121.748 0.785 . . . . 15.0 110.565 176.654 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -128.71 150.14 50.39 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 114.917 -1.038 . . . . 15.0 109.93 -177.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 0.527 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 8.6 mptt -113.94 144.51 42.95 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-O 122.159 0.98 . . . . 15.0 112.18 173.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . 0.623 HG23 ' CE1' ' A' ' 446' ' ' TYR . 10.5 p -90.31 150.69 21.81 Favored 'General case' 0 C--N 1.306 -1.308 0 CA-C-N 113.543 -1.662 . . . . 15.0 107.864 169.08 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -51.42 -22.87 3.29 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.785 0.661 . . . . 15.0 112.785 -177.043 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -86.11 -0.32 55.35 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-O 120.767 0.318 . . . . 15.0 111.269 179.204 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.45 30.33 12.31 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 121.284 -0.484 . . . . 15.0 112.889 169.492 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.61 ' HB2' ' OG1' ' A' ' 440' ' ' THR . 45.0 mmtm -82.82 127.76 33.78 Favored 'General case' 0 CA--C 1.494 -1.187 0 N-CA-C 109.839 -0.43 . . . . 15.0 109.839 169.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . 0.49 HG23 ' HE3' ' A' ' 439' ' ' LYS . 21.9 m -94.38 89.23 5.8 Favored 'General case' 0 N--CA 1.429 -1.52 0 C-N-CA 118.474 -1.29 . . . . 15.0 107.867 166.787 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . 0.623 ' CE1' HG23 ' A' ' 440' ' ' THR . 5.1 p90 -96.07 144.19 26.55 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.757 -0.656 . . . . 15.0 110.377 170.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -100.95 116.89 33.87 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-O 121.545 0.688 . . . . 15.0 111.39 -175.66 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . 0.852 ' HA ' ' O ' ' A' ' 454' ' ' TYR . 80.3 t80 -113.79 110.58 20.38 Favored 'General case' 0 C--O 1.211 -0.932 0 CA-C-N 114.609 -1.178 . . . . 15.0 109.05 174.746 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 1.097 ' HB3' ' HD1' ' A' ' 454' ' ' TYR . 2.5 t-20 -89.86 149.53 22.61 Favored 'General case' 0 CA--C 1.493 -1.245 0 O-C-N 121.811 -0.556 . . . . 15.0 110.165 -178.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -114.62 1.03 14.12 Favored 'General case' 0 N--CA 1.439 -0.994 0 CA-C-N 115.352 -0.84 . . . . 15.0 113.25 -157.603 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 0.712 ' HG2' ' HB2' ' A' ' 434' ' ' GLU . 2.3 ptm180 -107.7 -28.54 9.65 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.371 -0.532 . . . . 15.0 110.704 173.535 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . 0.642 ' HB ' ' CE1' ' A' ' 454' ' ' TYR . 4.7 m -122.83 -6.73 8.49 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.981 -0.554 . . . . 15.0 109.554 179.571 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . 0.972 ' HA ' ' O ' ' A' ' 449' ' ' ASN . 0.3 OUTLIER 50.62 102.45 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 122.844 1.307 . . . . 15.0 114.284 176.655 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 454' ' ' TYR . . . . . 1.097 ' HD1' ' HB3' ' A' ' 449' ' ' ASN . 26.2 m-85 -124.7 145.44 49.68 Favored 'General case' 0 C--O 1.22 -0.463 0 CA-C-N 112.821 -1.99 . . . . 15.0 108.411 -178.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 4.4 p -124.71 96.87 5.05 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-O 121.492 0.663 . . . . 15.0 110.072 167.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 4.2 t -128.86 120.24 25.88 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.707 -0.679 . . . . 15.0 111.309 -177.355 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.53 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 20.8 m95 -74.41 -9.47 58.62 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.768 -0.651 . . . . 15.0 110.142 174.671 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -101.42 133.04 46.66 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.502 -0.772 . . . . 15.0 110.032 -177.666 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . 0.624 ' HD3' ' HA ' ' A' ' 464' ' ' LYS . 23.2 ttmm -67.69 121.08 77.85 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 116.044 -0.525 . . . . 15.0 111.125 -178.231 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.486 ' HB2' ' OE2' ' A' ' 462' ' ' GLU . 96.1 Cg_endo -78.0 172.83 14.91 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 123.216 2.611 . . . . 15.0 112.97 -178.194 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -66.09 -21.55 66.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.403 -0.817 . . . . 15.0 113.168 -170.069 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . 0.486 ' OE2' ' HB2' ' A' ' 460' ' ' PRO . 1.9 pm0 -99.93 2.53 43.75 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 122.269 -0.27 . . . . 15.0 111.659 -178.638 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 70.5 mt -117.49 1.36 12.31 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.917 0.389 . . . . 15.0 110.679 176.703 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . 0.624 ' HA ' ' HD3' ' A' ' 459' ' ' LYS . 2.6 ptmm? . . . . . 0 C--O 1.248 0.976 0 CA-C-O 118.338 -0.839 . . . . 15.0 110.646 179.558 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.709 0 N-CA-C 112.502 -0.239 . . . . 15.0 112.502 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . 0.406 ' HB3' ' HA ' ' A' ' 462' ' ' GLU . . . -93.98 97.04 10.08 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.703 -0.48 . . . . 15.0 109.703 177.818 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 26.6 m 74.5 144.43 0.08 Allowed 'General case' 0 N--CA 1.466 0.366 0 O-C-N 123.808 0.693 . . . . 15.0 110.2 -175.32 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -76.28 78.93 3.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.211 0.529 . . . . 15.0 110.49 -179.734 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . 0.484 ' HB ' ' HG2' ' A' ' 434' ' ' GLU . 30.9 m -84.48 143.86 10.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.712 -0.677 . . . . 15.0 111.233 -178.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 19.1 t -119.88 -2.98 10.24 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.466 0.65 . . . . 15.0 109.348 177.506 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . 0.588 ' HB2' ' HG2' ' A' ' 451' ' ' ARG . 6.4 pt-20 -64.7 -33.81 76.83 Favored 'General case' 0 CA--C 1.511 -0.522 0 CA-C-N 115.168 -0.924 . . . . 15.0 110.704 177.385 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.514 ' HA ' ' HB2' ' A' ' 449' ' ' ASN . 43.4 m95 -89.51 141.45 28.56 Favored 'General case' 0 CA--C 1.501 -0.918 0 CA-C-N 115.785 -0.643 . . . . 15.0 109.476 -175.386 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.682 ' HB ' ' O ' ' A' ' 448' ' ' TYR . 1.1 m -124.99 142.42 51.5 Favored 'General case' 0 N--CA 1.414 -2.249 0 C-N-CA 119.643 -0.823 . . . . 15.0 109.108 -178.315 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -110.34 131.22 55.24 Favored 'General case' 0 C--N 1.308 -1.199 0 C-N-CA 119.62 -0.832 . . . . 15.0 110.437 172.693 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -127.48 150.28 49.73 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.498 -0.774 . . . . 15.0 110.267 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 0.55 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 0.0 OUTLIER -121.0 142.1 50.11 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-O 121.784 0.802 . . . . 15.0 111.532 175.813 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . 0.695 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 6.0 p -90.17 150.89 21.82 Favored 'General case' 0 C--N 1.308 -1.228 0 CA-C-N 114.086 -1.415 . . . . 15.0 107.452 166.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -45.42 -24.9 0.35 Allowed 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 113.95 1.093 . . . . 15.0 113.95 -174.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . 0.458 ' OD2' ' HG3' ' A' ' 444' ' ' LYS . 8.0 p-10 -83.8 -2.51 56.51 Favored 'General case' 0 CA--C 1.534 0.336 0 O-C-N 121.938 -0.476 . . . . 15.0 111.303 179.829 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.28 29.77 13.86 Favored Glycine 0 CA--C 1.505 -0.566 0 CA-C-N 116.074 -0.512 . . . . 15.0 112.597 172.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.695 ' HB2' ' OG1' ' A' ' 440' ' ' THR . 95.0 mttt -76.86 106.53 8.59 Favored 'General case' 0 CA--C 1.503 -0.84 0 N-CA-C 110.054 -0.35 . . . . 15.0 110.054 172.096 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 17.9 m -90.68 89.23 7.43 Favored 'General case' 0 N--CA 1.434 -1.243 0 C-N-CA 119.6 -0.84 . . . . 15.0 109.055 175.05 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . 0.561 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 24.7 p90 -104.06 150.02 24.67 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 115.419 -0.81 . . . . 15.0 109.84 172.356 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -101.71 104.77 15.6 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-O 121.804 0.811 . . . . 15.0 111.637 -173.267 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . 0.856 ' HA ' ' O ' ' A' ' 454' ' ' TYR . 53.6 t80 -101.07 111.13 23.26 Favored 'General case' 0 C--O 1.215 -0.756 0 CA-C-N 114.245 -1.343 . . . . 15.0 108.966 175.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 1.055 ' HB3' ' HD1' ' A' ' 454' ' ' TYR . 1.3 t-20 -89.6 148.09 23.55 Favored 'General case' 0 CA--C 1.49 -1.341 0 O-C-N 122.108 -0.37 . . . . 15.0 110.599 -177.775 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -112.23 4.44 17.8 Favored 'General case' 0 N--CA 1.447 -0.6 0 O-C-N 123.92 0.762 . . . . 15.0 113.018 -158.66 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 0.588 ' HG2' ' HB2' ' A' ' 434' ' ' GLU . 3.5 ptt180 -100.01 -32.55 10.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.354 0.597 . . . . 15.0 109.621 171.149 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . 0.73 ' HB ' ' CE1' ' A' ' 454' ' ' TYR . 10.6 m -123.53 -11.46 7.82 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.218 -0.901 . . . . 15.0 110.38 -174.83 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . 0.935 ' HA ' ' O ' ' A' ' 449' ' ' ASN . 0.4 OUTLIER 54.38 86.63 0.05 OUTLIER 'General case' 0 CA--C 1.518 -0.257 0 CA-C-O 122.865 1.317 . . . . 15.0 113.085 179.764 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 454' ' ' TYR . . . . . 1.055 ' HD1' ' HB3' ' A' ' 449' ' ' ASN . 39.5 m-85 -104.73 142.74 34.16 Favored 'General case' 0 CA--C 1.505 -0.779 0 CA-C-N 112.813 -1.994 . . . . 15.0 108.842 179.046 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 3.5 p -118.98 96.86 5.42 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-O 121.123 0.487 . . . . 15.0 109.704 169.333 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 3.4 t -128.42 122.07 30.49 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.464 0.65 . . . . 15.0 110.554 178.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.615 ' CZ3' ' HD3' ' A' ' 444' ' ' LYS . 76.1 m95 -79.94 -5.63 55.99 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.214 -0.903 . . . . 15.0 111.208 -178.577 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -117.12 141.57 48.1 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.856 -0.424 . . . . 15.0 109.856 179.279 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . 0.74 ' HE3' ' HA ' ' A' ' 464' ' ' LYS . 38.4 ttpt -65.78 123.04 83.72 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 115.65 -0.705 . . . . 15.0 111.299 -174.332 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.566 ' HB2' ' OE1' ' A' ' 462' ' ' GLU . 87.4 Cg_endo -77.86 167.76 23.27 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 123.17 2.58 . . . . 15.0 112.596 -178.032 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . 0.568 ' H ' ' NE2' ' A' ' 461' ' ' GLN . 2.2 mp0 -61.3 -26.46 67.8 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.169 -0.923 . . . . 15.0 112.868 -171.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . 0.566 ' OE1' ' HB2' ' A' ' 460' ' ' PRO . 1.6 pm0 -83.25 -13.68 54.78 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.757 0.313 . . . . 15.0 111.783 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.526 ' O ' ' HD2' ' A' ' 459' ' ' LYS . 43.8 mt -110.12 1.42 18.8 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.647 -0.252 . . . . 15.0 110.917 -178.753 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . 0.74 ' HA ' ' HE3' ' A' ' 459' ' ' LYS . 12.7 mmmm . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.221 -0.895 . . . . 15.0 111.303 -178.356 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.675 0 N-CA-C 111.953 -0.459 . . . . 15.0 111.953 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -111.32 109.86 20.06 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.72 0.295 . . . . 15.0 110.408 179.442 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 23.7 p -93.19 106.14 18.14 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.989 0.423 . . . . 15.0 111.24 -178.486 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -82.28 96.03 7.77 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.064 -0.516 . . . . 15.0 109.888 176.64 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . 0.645 ' HB ' ' HG2' ' A' ' 434' ' ' GLU . 16.9 m -88.04 144.24 9.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 121.209 0.528 . . . . 15.0 111.236 -177.805 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 19.8 t -110.31 2.04 18.88 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.758 -0.655 . . . . 15.0 109.726 -178.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . 0.645 ' HG2' ' HB ' ' A' ' 432' ' ' VAL . 7.9 pt-20 -65.57 -18.4 65.3 Favored 'General case' 0 CA--C 1.51 -0.591 0 CA-C-N 115.901 -0.59 . . . . 15.0 111.246 178.222 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.496 ' HA ' ' HB2' ' A' ' 449' ' ' ASN . 29.1 m95 -89.62 135.68 33.47 Favored 'General case' 0 N--CA 1.438 -1.068 0 CA-C-N 115.613 -0.721 . . . . 15.0 109.521 -174.656 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.752 ' HB ' ' O ' ' A' ' 448' ' ' TYR . 1.1 m -115.57 145.5 42.6 Favored 'General case' 0 N--CA 1.415 -2.207 0 N-CA-C 108.238 -1.023 . . . . 15.0 108.238 -173.116 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -115.16 150.82 35.45 Favored 'General case' 0 C--N 1.302 -1.5 0 C-N-CA 119.15 -1.02 . . . . 15.0 113.236 173.227 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -149.57 149.99 31.56 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-N 113.65 -1.614 . . . . 15.0 109.35 -173.454 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 0.533 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 0.0 OUTLIER -117.17 144.76 44.39 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-O 121.917 0.865 . . . . 15.0 111.727 175.013 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . 0.624 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 1.3 p -99.31 150.33 22.23 Favored 'General case' 0 C--N 1.304 -1.391 0 CA-C-N 113.901 -1.499 . . . . 15.0 108.019 168.239 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -60.48 -7.99 2.47 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 113.104 0.779 . . . . 15.0 113.104 -171.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -88.72 -2.02 58.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.073 0.463 . . . . 15.0 110.272 176.415 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.45 29.88 13.25 Favored Glycine 0 N--CA 1.449 -0.498 0 CA-C-N 115.895 -0.593 . . . . 15.0 112.665 173.05 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.738 ' HA ' ' HE2' ' A' ' 444' ' ' LYS . 9.7 mmpt? -85.39 130.4 34.6 Favored 'General case' 0 CA--C 1.497 -1.067 0 N-CA-C 110.103 -0.332 . . . . 15.0 110.103 169.545 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 58.8 m -102.5 89.14 3.44 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 107.563 -1.273 . . . . 15.0 107.563 163.639 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . 0.494 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 13.7 p90 -94.72 148.17 22.55 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.391 -0.822 . . . . 15.0 110.361 175.075 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -99.71 116.15 31.14 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.469 0.652 . . . . 15.0 110.908 -175.188 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . 0.893 ' HA ' ' O ' ' A' ' 454' ' ' TYR . 49.8 t80 -117.51 110.99 18.65 Favored 'General case' 0 C--O 1.206 -1.197 0 CA-C-N 114.674 -1.148 . . . . 15.0 108.879 178.342 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 1.032 ' HB3' ' CD1' ' A' ' 454' ' ' TYR . 2.5 t-20 -89.71 147.97 23.55 Favored 'General case' 0 C--O 1.206 -1.228 0 O-C-N 121.966 -0.459 . . . . 15.0 110.878 -176.191 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -107.63 -5.68 17.34 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 113.505 0.928 . . . . 15.0 113.505 -158.758 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 0.416 ' HG2' ' HB2' ' A' ' 434' ' ' GLU . 7.8 ptm180 -99.13 -20.78 16.48 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.092 -0.643 . . . . 15.0 110.613 176.252 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . 0.764 ' HB ' ' CE1' ' A' ' 454' ' ' TYR . 4.4 m -132.36 -10.9 3.24 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.604 -0.725 . . . . 15.0 110.258 -178.185 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . 0.897 ' HA ' ' O ' ' A' ' 449' ' ' ASN 0.264 1.4 pp 54.96 92.63 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 123.269 1.509 . . . . 15.0 113.666 176.146 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 454' ' ' TYR . . . . . 1.032 ' CD1' ' HB3' ' A' ' 449' ' ' ASN . 31.6 m-85 -114.43 136.65 52.77 Favored 'General case' 0 CA--C 1.504 -0.802 0 CA-C-N 112.354 -2.203 . . . . 15.0 108.942 -177.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 3.8 p -111.36 101.28 9.75 Favored 'General case' 0 C--N 1.315 -0.921 0 N-CA-C 109.734 -0.469 . . . . 15.0 109.734 167.577 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 7.4 t -135.41 124.81 24.83 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.739 0.781 . . . . 15.0 111.061 178.445 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.494 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 27.1 m95 -77.75 -7.14 56.13 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.892 -1.049 . . . . 15.0 110.984 178.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -102.62 138.22 39.82 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.185 -0.461 . . . . 15.0 109.916 178.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . 0.867 ' HD3' ' HA ' ' A' ' 464' ' ' LYS . 66.9 tttt -70.97 121.24 83.5 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 115.909 -0.587 . . . . 15.0 110.386 -177.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.478 ' HG2' ' HB2' ' A' ' 463' ' ' LEU . 11.1 Cg_endo -53.59 143.25 57.53 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 123.138 2.559 . . . . 15.0 111.317 177.103 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 54.6 tp60 -65.91 -21.1 66.42 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.044 0.45 . . . . 15.0 111.159 -173.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . 0.477 ' CD ' ' H ' ' A' ' 462' ' ' GLU . 2.2 pm0 -77.43 -12.52 59.97 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.359 -0.382 . . . . 15.0 111.08 176.786 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.478 ' HB2' ' HG2' ' A' ' 460' ' ' PRO . 10.1 mp -115.04 -25.43 8.13 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.28 -0.418 . . . . 15.0 111.255 178.05 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . 0.867 ' HA ' ' HD3' ' A' ' 459' ' ' LYS . 24.1 ttmm . . . . . 0 C--O 1.252 1.212 0 CA-C-O 117.993 -1.003 . . . . 15.0 111.82 -171.376 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.584 0 N-CA-C 111.672 -0.571 . . . . 15.0 111.672 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -99.26 161.29 13.71 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.879 -0.415 . . . . 15.0 109.879 176.597 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 40.1 p 51.39 101.34 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.596 0 O-C-N 124.1 0.875 . . . . 15.0 112.566 -178.447 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -70.22 -27.94 64.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.957 -0.565 . . . . 15.0 111.014 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 12.9 m 49.29 -178.92 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 124.939 1.296 . . . . 15.0 113.552 178.058 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 18.4 t -136.14 -4.09 2.18 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.676 -0.693 . . . . 15.0 110.007 176.259 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . 0.463 ' HG3' ' CD1' ' A' ' 435' ' ' TRP . 9.1 pt-20 -67.02 -29.68 69.56 Favored 'General case' 0 CA--C 1.512 -0.492 0 CA-C-N 116.02 -0.536 . . . . 15.0 111.217 -178.465 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.463 ' CD1' ' HG3' ' A' ' 434' ' ' GLU . 42.6 m95 -89.61 138.1 31.76 Favored 'General case' 0 CA--C 1.502 -0.904 0 CA-C-N 116.243 -0.435 . . . . 15.0 109.926 -174.732 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.728 ' HB ' ' O ' ' A' ' 448' ' ' TYR . 1.1 m -122.85 137.05 55.04 Favored 'General case' 0 N--CA 1.414 -2.273 0 N-CA-C 108.752 -0.832 . . . . 15.0 108.752 -177.152 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . 0.403 ' O ' ' HG2' ' A' ' 437' ' ' GLU . 1.1 pm0 -109.99 130.49 55.52 Favored 'General case' 0 C--N 1.307 -1.268 0 C-N-CA 119.757 -0.777 . . . . 15.0 110.399 174.642 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -123.03 150.22 43.35 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.217 -0.901 . . . . 15.0 109.936 178.396 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 0.651 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 37.3 ttpt -128.53 133.69 48.47 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-N 115.448 -0.796 . . . . 15.0 110.363 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . 0.689 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 9.6 p -89.93 145.92 24.77 Favored 'General case' 0 N--CA 1.436 -1.161 0 N-CA-C 104.888 -2.264 . . . . 15.0 104.888 165.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -65.77 -2.31 3.6 Favored 'General case' 0 C--N 1.308 -1.229 0 N-CA-C 113.121 0.786 . . . . 15.0 113.121 -165.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -84.91 0.99 49.24 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.525 0.679 . . . . 15.0 109.317 171.069 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.71 30.23 12.03 Favored Glycine 0 N--CA 1.443 -0.85 0 CA-C-N 114.976 -1.011 . . . . 15.0 112.997 171.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.689 ' HB2' ' OG1' ' A' ' 440' ' ' THR . 46.7 mttm -86.72 100.41 12.46 Favored 'General case' 0 C--N 1.315 -0.896 0 N-CA-C 109.95 -0.389 . . . . 15.0 109.95 171.68 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 17.3 m -91.95 89.28 6.93 Favored 'General case' 0 N--CA 1.439 -0.992 0 C-N-CA 119.322 -0.951 . . . . 15.0 108.908 172.231 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . 0.474 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 11.1 p90 -96.11 141.36 29.59 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.004 -0.998 . . . . 15.0 109.832 173.233 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 -96.92 109.43 22.16 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-O 121.799 0.809 . . . . 15.0 111.54 -173.584 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . 0.787 ' HA ' ' O ' ' A' ' 454' ' ' TYR . 43.3 t80 -107.48 112.17 24.81 Favored 'General case' 0 C--O 1.212 -0.915 0 CA-C-N 114.308 -1.315 . . . . 15.0 108.563 175.651 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 1.093 ' HB3' ' HD1' ' A' ' 454' ' ' TYR . 1.3 t-20 -89.92 145.72 24.92 Favored 'General case' 0 C--N 1.311 -1.086 0 O-C-N 121.813 -0.554 . . . . 15.0 110.583 -178.58 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -108.09 1.69 22.5 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 114.974 -1.012 . . . . 15.0 111.468 -163.253 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 73.1 ttt180 -94.11 -64.31 1.09 Allowed 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.346 -0.843 . . . . 15.0 109.234 174.349 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . 0.402 ' C ' ' HG ' ' A' ' 453' ' ' LEU . 0.0 OUTLIER -98.47 -3.9 35.65 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 114.597 -1.183 . . . . 15.0 110.697 -177.56 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . 0.97 ' HA ' ' O ' ' A' ' 449' ' ' ASN 0.258 2.3 pp 49.46 98.82 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 123.283 1.516 . . . . 15.0 114.239 179.866 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 454' ' ' TYR . . . . . 1.093 ' HD1' ' HB3' ' A' ' 449' ' ' ASN . 34.7 m-85 -120.27 150.14 41.18 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 112.631 -2.077 . . . . 15.0 108.305 -178.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 13.8 p -126.08 95.82 4.53 Favored 'General case' 0 C--N 1.315 -0.926 0 C-N-CA 119.782 -0.767 . . . . 15.0 109.636 162.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 6.0 t -118.83 122.34 42.14 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.538 -0.755 . . . . 15.0 110.894 -177.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.474 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 67.1 m95 -81.13 0.1 37.76 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.11 -0.95 . . . . 15.0 110.555 177.07 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -114.41 134.45 54.98 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.962 -0.563 . . . . 15.0 110.095 178.114 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . 0.503 ' HE3' ' O ' ' A' ' 463' ' ' LEU . 33.0 tttp -62.22 122.86 75.55 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 115.454 -0.794 . . . . 15.0 111.143 -177.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.638 ' HD2' HD12 ' A' ' 463' ' ' LEU . 60.2 Cg_endo -75.62 160.33 38.22 Favored 'Trans proline' 0 CA--C 1.529 0.267 0 C-N-CA 122.977 2.451 . . . . 15.0 111.761 179.428 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 53.3 tp60 -62.59 -27.39 69.16 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 112.173 0.435 . . . . 15.0 112.173 -172.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . 0.517 ' OE1' ' HB2' ' A' ' 460' ' ' PRO . 2.0 pm0 -75.89 -7.0 53.48 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.669 0.271 . . . . 15.0 111.414 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.638 HD12 ' HD2' ' A' ' 460' ' ' PRO . 72.0 mt -110.24 -5.64 15.24 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.588 0.233 . . . . 15.0 111.251 178.261 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . 0.49 ' HB3' ' HD3' ' A' ' 459' ' ' LYS . 55.6 pttt . . . . . 0 C--O 1.247 0.924 0 CA-C-O 119.305 -0.378 . . . . 15.0 110.913 -177.455 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.72 0 N-CA-C 112.137 -0.385 . . . . 15.0 112.137 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -78.5 134.6 37.28 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.424 0.154 . . . . 15.0 111.0 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 58.9 m 67.54 96.58 0.06 Allowed 'General case' 0 C--O 1.234 0.253 0 O-C-N 123.976 0.798 . . . . 15.0 111.254 179.709 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -94.28 109.47 21.29 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.738 -0.665 . . . . 15.0 110.73 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 22.8 m -77.21 137.54 22.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.164 -0.471 . . . . 15.0 110.363 177.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 41.6 m -150.08 -1.19 0.42 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.442 -0.345 . . . . 15.0 111.548 -177.712 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . 0.465 ' HB2' ' HG2' ' A' ' 451' ' ' ARG . 1.4 pm0 -75.2 -28.25 59.92 Favored 'General case' 0 CA--C 1.514 -0.438 0 CA-C-O 120.798 0.332 . . . . 15.0 111.691 -175.688 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.457 ' CD1' ' HG2' ' A' ' 434' ' ' GLU . 53.5 m95 -89.64 144.76 25.74 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 116.326 -0.397 . . . . 15.0 110.518 -172.663 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.693 ' HB ' ' O ' ' A' ' 448' ' ' TYR . 1.1 m -123.67 144.18 49.79 Favored 'General case' 0 N--CA 1.417 -2.076 0 C-N-CA 119.888 -0.725 . . . . 15.0 109.496 179.807 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -113.35 132.08 55.72 Favored 'General case' 0 C--N 1.31 -1.138 0 CA-C-O 121.406 0.622 . . . . 15.0 111.201 177.234 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 46.8 m-85 -126.75 150.08 49.28 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.617 -0.72 . . . . 15.0 110.046 177.105 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 0.699 ' HE3' HG23 ' A' ' 445' ' ' THR . 4.2 mptt -121.41 150.15 41.95 Favored 'General case' 0 CA--C 1.504 -0.808 0 CA-C-O 122.297 1.046 . . . . 15.0 112.147 175.334 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . 0.494 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 71.5 p -93.78 150.83 20.06 Favored 'General case' 0 C--N 1.307 -1.26 0 CA-C-N 113.243 -1.799 . . . . 15.0 107.91 169.337 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -50.98 -22.51 2.32 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 112.533 0.568 . . . . 15.0 112.533 177.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . 0.454 ' OD2' ' HG3' ' A' ' 444' ' ' LYS . 3.4 p-10 -87.86 -0.42 56.95 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 120.959 0.409 . . . . 15.0 111.171 178.122 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.61 30.04 12.57 Favored Glycine 0 N--CA 1.448 -0.524 0 CA-C-N 115.995 -0.548 . . . . 15.0 113.045 171.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.598 ' O ' ' HA ' ' A' ' 439' ' ' LYS . 62.4 mttp -77.49 115.63 17.41 Favored 'General case' 0 CA--C 1.504 -0.812 0 N-CA-C 110.321 -0.251 . . . . 15.0 110.321 171.327 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . 0.699 HG23 ' HE3' ' A' ' 439' ' ' LYS . 17.4 m -99.81 89.42 4.09 Favored 'General case' 0 N--CA 1.435 -1.207 0 C-N-CA 119.952 -0.699 . . . . 15.0 109.132 174.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . 0.628 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 17.3 p90 -104.21 145.4 30.26 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.395 -0.82 . . . . 15.0 110.107 173.649 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -101.52 108.86 20.55 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 121.581 0.705 . . . . 15.0 111.502 -175.255 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . 0.847 ' HA ' ' O ' ' A' ' 454' ' ' TYR . 39.2 t80 -101.88 110.21 22.14 Favored 'General case' 0 C--O 1.213 -0.846 0 CA-C-N 114.55 -1.204 . . . . 15.0 108.69 175.156 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 1.014 ' HB3' ' CD1' ' A' ' 454' ' ' TYR . 2.0 t-20 -90.02 147.56 23.6 Favored 'General case' 0 C--O 1.206 -1.215 0 O-C-N 122.015 -0.428 . . . . 15.0 110.793 -176.498 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 7.6 p30 -110.28 0.34 18.04 Favored 'General case' 0 N--CA 1.445 -0.703 0 N-CA-C 113.26 0.837 . . . . 15.0 113.26 -160.418 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 0.482 ' HG3' ' OG1' ' A' ' 452' ' ' THR . 14.3 ptt180 -95.12 -30.82 13.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.457 0.646 . . . . 15.0 109.99 172.563 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . 0.759 ' HB ' ' CE1' ' A' ' 454' ' ' TYR . 21.9 m -129.93 -8.02 4.44 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.195 -0.911 . . . . 15.0 110.3 -173.697 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . 0.909 ' HA ' ' O ' ' A' ' 449' ' ' ASN . 0.3 OUTLIER 54.76 91.36 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 122.751 1.263 . . . . 15.0 113.129 176.74 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 454' ' ' TYR . . . . . 1.014 ' CD1' ' HB3' ' A' ' 449' ' ' ASN . 16.7 m-85 -113.03 149.42 33.39 Favored 'General case' 0 CA--C 1.51 -0.568 0 CA-C-N 112.933 -1.939 . . . . 15.0 108.427 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 5.1 p -125.98 97.33 5.07 Favored 'General case' 0 C--N 1.313 -0.981 0 N-CA-C 109.465 -0.568 . . . . 15.0 109.465 167.25 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 4.8 t -126.96 124.3 39.16 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.767 -0.651 . . . . 15.0 111.094 -179.283 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.628 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 24.6 m95 -77.29 -7.02 55.29 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.328 -0.851 . . . . 15.0 109.961 173.616 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -103.15 140.85 36.8 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.201 -0.666 . . . . 15.0 109.201 -178.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . 0.46 ' HA ' ' HD2' ' A' ' 460' ' ' PRO . 37.9 ttpt -75.72 123.47 88.37 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-O 120.813 0.339 . . . . 15.0 111.686 -173.113 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.659 ' HG2' HD13 ' A' ' 463' ' ' LEU . 19.2 Cg_endo -59.16 157.51 29.69 Favored 'Trans proline' 0 CA--C 1.531 0.369 0 C-N-CA 123.419 2.746 . . . . 15.0 112.797 178.029 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.48 -22.09 61.11 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 115.717 -0.674 . . . . 15.0 110.75 -175.692 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -79.14 -11.79 59.98 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.029 0.442 . . . . 15.0 111.153 177.488 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.659 HD13 ' HG2' ' A' ' 460' ' ' PRO . 9.2 mp -113.22 19.59 16.96 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.218 -0.66 . . . . 15.0 109.218 175.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 27.6 tptp . . . . . 0 C--O 1.251 1.137 0 CA-C-N 115.021 -0.991 . . . . 15.0 112.078 -178.998 . . . . . . . . 0 0 . 1 stop_ save_