data_2n4r_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 2n4r _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 . . . . . . . . . . . . . 14.0 pt-20 . . . . . 0 CA--C 1.536 0.438 0 N-CA-C 113.357 0.873 . . . . 15.0 113.357 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 92.5 m95 -100.35 128.96 46.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.907 0.384 . . . . 15.0 111.051 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 4.0 m -144.24 145.44 32.05 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 109.388 -0.597 . . . . 15.0 109.388 172.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . 0.535 ' HB3' ' CD1' ' A' ' 447' ' ' TYR . 1.4 pm0 -122.41 144.05 49.29 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.254 0.549 . . . . 15.0 111.321 -179.304 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . 0.428 ' O ' ' HA ' ' A' ' 445' ' ' THR . 58.2 m-85 -124.91 141.58 52.03 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.517 -0.765 . . . . 15.0 108.984 176.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 0.805 ' HD3' ' C ' ' A' ' 444' ' ' LYS . 5.2 tppp? -89.94 128.96 36.34 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.096 0.474 . . . . 15.0 110.016 179.344 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 26.8 p -89.64 150.71 22.25 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.464 -0.789 . . . . 15.0 109.896 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -44.89 -29.89 0.9 Allowed 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 113.622 0.971 . . . . 15.0 113.622 -176.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -73.96 -0.44 16.21 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 120.956 0.407 . . . . 15.0 111.099 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . 0.481 ' C ' ' HD2' ' A' ' 439' ' ' LYS . . . 90.24 37.61 6.62 Favored Glycine 0 N--CA 1.445 -0.712 0 CA-C-N 115.872 -0.604 . . . . 15.0 113.959 171.456 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.805 ' C ' ' HD3' ' A' ' 439' ' ' LYS . 39.0 mttp -148.06 150.69 34.38 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 113.2 0.815 . . . . 15.0 113.2 176.527 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 445' ' ' THR . . . . . 0.51 ' N ' ' HD3' ' A' ' 439' ' ' LYS . 1.3 p -93.09 141.19 28.69 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.613 -0.721 . . . . 15.0 112.16 -179.206 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 44.4 p90 -113.99 133.49 55.46 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.018 -0.734 . . . . 15.0 109.018 170.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . 0.535 ' CD1' ' HB3' ' A' ' 437' ' ' GLU . 55.3 m-85 -97.15 116.85 30.11 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.321 -0.854 . . . . 15.0 110.345 -172.759 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -110.62 123.67 50.42 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.216 -0.902 . . . . 15.0 110.183 -173.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.555 ' HB3' ' OG1' ' A' ' 452' ' ' THR . 23.8 t-20 -99.49 125.38 45.22 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 108.492 -0.929 . . . . 15.0 108.492 171.75 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 45.8 m-80 -74.62 -45.08 47.31 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 113.134 0.79 . . . . 15.0 113.134 -171.307 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 15.2 mtm180 -90.31 -1.76 57.95 Favored 'General case' 0 C--N 1.333 -0.138 0 C-N-CA 118.249 -1.38 . . . . 15.0 112.334 -173.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 452' ' ' THR . . . . . 0.555 ' OG1' ' HB3' ' A' ' 449' ' ' ASN . 69.2 p -91.46 -36.54 13.7 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.268 -0.641 . . . . 15.0 109.268 158.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 453' ' ' ASP . . . . . . . . . . . . . 32.4 t70 78.57 20.94 0.81 Allowed 'General case' 0 C--N 1.343 0.317 0 CA-C-N 113.71 -1.586 . . . . 15.0 109.804 -174.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . 0.506 ' HG2' ' HG1' ' A' ' 452' ' ' THR . 10.5 pt-20 -94.54 149.93 20.75 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.158 -0.474 . . . . 15.0 110.786 -175.077 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 13.0 m -124.62 116.14 21.93 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.001 -0.545 . . . . 15.0 109.932 176.065 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 11.2 t -127.49 149.94 49.89 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.413 -0.358 . . . . 15.0 110.241 -177.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 81.3 m95 -94.29 6.5 48.47 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.03 0.443 . . . . 15.0 110.784 -177.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -102.92 140.11 37.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.968 -0.56 . . . . 15.0 109.917 176.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . 1.007 ' HE3' ' HG ' ' A' ' 463' ' ' LEU . 45.0 tptt -69.78 119.0 68.46 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 115.716 -0.675 . . . . 15.0 110.29 -177.583 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . 0.671 ' HG2' ' HB3' ' A' ' 463' ' ' LEU . 5.7 Cg_endo -51.92 143.96 37.78 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 123.4 2.733 . . . . 15.0 112.245 176.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 461' ' ' GLN . . . . . 0.426 ' H ' ' HG3' ' A' ' 461' ' ' GLN . 1.1 pp0? -74.19 -10.46 59.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.991 0.424 . . . . 15.0 112.116 -176.508 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -86.3 -11.22 52.81 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.207 0.527 . . . . 15.0 110.409 171.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . 1.007 ' HG ' ' HE3' ' A' ' 459' ' ' LYS . 29.5 tp -119.98 0.34 10.76 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.532 -0.758 . . . . 15.0 110.323 -175.773 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . 0.449 ' CE ' ' HB3' ' A' ' 459' ' ' LYS . 40.5 ttmt . . . . . 0 C--O 1.25 1.122 0 CA-C-O 118.338 -0.839 . . . . 15.0 109.91 -178.291 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 . . . . . 0 N--CA 1.45 -0.438 0 CA-C-O 121.054 0.454 . . . . 15.0 110.483 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 70.2 m95 -94.26 118.42 31.56 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.572 -0.74 . . . . 15.0 109.567 176.316 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 2.6 m -115.35 144.91 43.07 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 116.259 -0.428 . . . . 15.0 110.523 -177.199 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -96.01 132.3 41.5 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.076 0.465 . . . . 15.0 110.756 -179.061 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . 0.52 ' O ' ' HA ' ' A' ' 445' ' ' THR . 94.1 m-85 -129.88 131.81 46.2 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.591 -0.731 . . . . 15.0 109.233 173.624 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 0.796 ' HD3' ' C ' ' A' ' 444' ' ' LYS . 4.2 tppp? -92.15 130.53 37.85 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.186 0.517 . . . . 15.0 110.811 -174.775 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 8.2 p -89.62 150.79 22.22 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.19 -0.914 . . . . 15.0 109.822 178.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -46.34 -26.34 0.81 Allowed 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 113.649 0.981 . . . . 15.0 113.649 -175.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -75.06 -5.23 43.0 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 121.243 0.544 . . . . 15.0 110.529 179.008 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . 0.572 ' O ' ' HD3' ' A' ' 444' ' ' LYS . . . 90.26 41.28 5.55 Favored Glycine 0 N--CA 1.444 -0.807 0 CA-C-N 115.573 -0.74 . . . . 15.0 114.291 174.241 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.796 ' C ' ' HD3' ' A' ' 439' ' ' LYS . 34.2 mmtm -141.8 150.51 41.77 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 118.013 0.906 . . . . 15.0 112.489 172.191 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 445' ' ' THR . . . . . 0.542 ' N ' ' HD3' ' A' ' 439' ' ' LYS . 22.2 p -92.78 135.22 34.31 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 121.116 0.484 . . . . 15.0 111.508 177.114 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 55.5 p90 -103.72 147.67 26.98 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 108.695 -0.854 . . . . 15.0 108.695 172.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -94.64 112.17 23.92 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 121.45 0.643 . . . . 15.0 110.404 -174.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 52.8 t80 -107.71 122.04 45.92 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.134 -0.939 . . . . 15.0 110.967 -176.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.582 ' HB3' ' OG1' ' A' ' 452' ' ' THR . 26.6 t-20 -92.16 137.08 32.66 Favored 'General case' 0 CA--C 1.513 -0.468 0 N-CA-C 109.153 -0.684 . . . . 15.0 109.153 173.256 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 25.8 m-80 -77.11 -45.93 25.27 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 113.258 0.836 . . . . 15.0 113.258 -173.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 33.5 mtm105 -90.26 -1.72 57.95 Favored 'General case' 0 C--O 1.233 0.194 0 C-N-CA 118.239 -1.384 . . . . 15.0 112.142 -172.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 452' ' ' THR . . . . . 0.582 ' OG1' ' HB3' ' A' ' 449' ' ' ASN . 45.3 p -91.83 -39.12 11.94 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.351 0.595 . . . . 15.0 110.231 159.177 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 453' ' ' ASP . . . . . . . . . . . . . 32.9 t70 69.44 37.9 1.91 Allowed 'General case' 0 C--N 1.341 0.204 0 CA-C-N 113.979 -1.464 . . . . 15.0 108.736 -169.138 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -100.17 147.32 25.83 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.666 -0.697 . . . . 15.0 110.815 -176.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 35.1 t -119.01 110.57 17.26 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.962 -0.563 . . . . 15.0 109.731 175.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 14.8 t -137.63 150.06 47.1 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.216 -0.447 . . . . 15.0 110.016 -178.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 69.8 m95 -98.12 9.77 42.1 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.19 0.519 . . . . 15.0 110.118 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -101.12 121.18 41.35 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.194 -1.039 . . . . 15.0 108.194 -177.347 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . 0.509 ' HD3' ' HA ' ' A' ' 464' ' ' LYS . 28.8 mttm -58.42 120.53 45.22 Favored Pre-proline 0 N--CA 1.465 0.286 0 N-CA-C 113.321 0.859 . . . . 15.0 113.321 -173.822 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . 0.836 ' HG2' ' HB3' ' A' ' 463' ' ' LEU . 19.5 Cg_endo -59.59 150.15 77.96 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 123.35 2.7 . . . . 15.0 111.328 171.182 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -61.93 -12.7 19.41 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.657 0.614 . . . . 15.0 112.657 -176.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -96.72 -21.68 17.43 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.773 0.321 . . . . 15.0 111.165 178.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . 0.836 ' HB3' ' HG2' ' A' ' 460' ' ' PRO . 35.8 tp -120.22 21.96 11.55 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.146 0.498 . . . . 15.0 110.339 -174.588 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . 0.509 ' HA ' ' HD3' ' A' ' 459' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.934 0 CA-C-O 118.355 -0.831 . . . . 15.0 111.629 -176.669 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 . . . . . 0 C--O 1.236 0.377 0 CA-C-O 121.295 0.569 . . . . 15.0 109.912 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 86.9 m95 -99.41 139.62 34.8 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.076 -0.965 . . . . 15.0 109.786 178.234 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 2.7 m -128.88 144.48 51.19 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 109.93 -0.396 . . . . 15.0 109.93 177.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -103.93 118.7 37.3 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.603 -0.517 . . . . 15.0 109.603 -178.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 -114.19 140.64 48.37 Favored 'General case' 0 C--N 1.31 -1.143 0 CA-C-N 115.841 -0.618 . . . . 15.0 110.282 -179.172 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 0.86 ' HD2' ' N ' ' A' ' 444' ' ' LYS . 3.8 tppp? -101.5 133.08 46.7 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.873 0.368 . . . . 15.0 110.225 176.624 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 440' ' ' THR . . . . . 0.451 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 23.9 p -89.63 150.26 22.45 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.072 -0.513 . . . . 15.0 109.877 175.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -50.82 -28.28 9.08 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 113.256 0.836 . . . . 15.0 113.256 -175.253 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -82.43 3.8 26.69 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.699 0.285 . . . . 15.0 111.31 -176.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.21 65.09 1.22 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 121.187 -0.53 . . . . 15.0 112.925 174.036 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.86 ' N ' ' HD2' ' A' ' 439' ' ' LYS . 44.8 mttt -156.02 131.54 9.58 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 114.757 1.392 . . . . 15.0 114.757 -178.063 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 445' ' ' THR . . . . . 0.571 HG22 ' HE3' ' A' ' 439' ' ' LYS . 0.4 OUTLIER -97.4 144.09 27.49 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-O 120.683 0.278 . . . . 15.0 111.028 176.923 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 25.4 p90 -146.99 150.13 34.52 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.208 -0.664 . . . . 15.0 109.208 -179.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 74.8 m-85 -103.86 120.31 40.72 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.445 0.64 . . . . 15.0 111.235 -173.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . 0.441 ' CE1' ' HA ' ' A' ' 453' ' ' ASP . 48.0 t80 -112.61 123.78 51.07 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.046 -0.979 . . . . 15.0 110.321 -178.618 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.677 ' HB3' ' OG1' ' A' ' 452' ' ' THR . 23.7 t-20 -89.84 126.61 35.76 Favored 'General case' 0 CA--C 1.507 -0.691 0 N-CA-C 108.641 -0.874 . . . . 15.0 108.641 173.213 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 -71.99 -42.95 65.85 Favored 'General case' 0 C--N 1.314 -0.974 0 N-CA-C 112.491 0.552 . . . . 15.0 112.491 -173.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 49.0 mtm180 -90.49 -1.74 57.9 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 118.515 -1.274 . . . . 15.0 112.53 -173.332 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 452' ' ' THR . . . . . 0.787 ' HG1' ' HG2' ' A' ' 454' ' ' GLU . 44.1 p -91.82 -40.25 11.31 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.383 0.611 . . . . 15.0 109.687 159.761 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 453' ' ' ASP . . . . . 0.441 ' HA ' ' CE1' ' A' ' 448' ' ' TYR . 31.6 t70 72.74 34.4 1.18 Allowed 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 113.49 -1.686 . . . . 15.0 109.189 -168.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . 0.787 ' HG2' ' HG1' ' A' ' 452' ' ' THR . 9.9 pt-20 -111.06 136.73 49.65 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.944 -0.571 . . . . 15.0 110.742 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 14.1 p -106.84 127.37 53.35 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.917 -0.583 . . . . 15.0 110.334 178.168 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 14.4 t -135.2 150.06 50.04 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.063 0.459 . . . . 15.0 110.85 -178.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 75.0 m95 -89.75 -1.94 58.13 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.129 0.49 . . . . 15.0 110.205 177.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -84.39 141.25 30.99 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.437 -0.801 . . . . 15.0 109.234 173.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . 0.506 ' HE2' ' O ' ' A' ' 463' ' ' LEU . 75.0 tttt -85.87 120.28 72.57 Favored Pre-proline 0 C--N 1.318 -0.763 0 N-CA-C 110.0 -0.37 . . . . 15.0 110.0 -177.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . 0.42 ' HD2' ' HA ' ' A' ' 459' ' ' LYS . 10.5 Cg_endo -54.07 141.55 68.34 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.927 2.418 . . . . 15.0 111.318 178.55 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 461' ' ' GLN . . . . . 0.523 ' HA ' ' HB2' ' A' ' 464' ' ' LYS . 76.0 mt-30 -68.45 -16.86 64.05 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.768 0.318 . . . . 15.0 111.366 -175.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . 0.49 ' OE2' ' HB2' ' A' ' 463' ' ' LEU . 0.1 OUTLIER -84.19 -16.2 44.25 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.249 -0.432 . . . . 15.0 111.088 179.639 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . 0.506 ' O ' ' HE2' ' A' ' 459' ' ' LYS . 18.7 tp -120.04 0.33 10.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.007 -0.542 . . . . 15.0 110.386 177.654 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . 0.523 ' HB2' ' HA ' ' A' ' 461' ' ' GLN . 3.7 tttp . . . . . 0 C--O 1.244 0.801 0 CA-C-O 118.441 -0.79 . . . . 15.0 111.118 -175.461 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 434' ' ' GLU . . . . . 0.46 ' O ' ' HA ' ' A' ' 449' ' ' ASN . 1.3 pm0 . . . . . 0 N--CA 1.466 0.362 0 N-CA-C 112.478 0.547 . . . . 15.0 112.478 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.442 ' CE3' ' HG3' ' A' ' 460' ' ' PRO . 93.8 m95 -95.78 102.11 13.87 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.371 0.605 . . . . 15.0 110.223 179.112 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 4.0 m -105.24 146.95 28.6 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.7 -0.682 . . . . 15.0 110.401 -177.223 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . 0.561 ' HG3' HD22 ' A' ' 463' ' ' LEU . 47.9 mt-10 -108.92 122.74 47.86 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.011 -0.541 . . . . 15.0 110.862 -179.375 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . 0.491 ' O ' ' HA ' ' A' ' 445' ' ' THR . 98.0 m-85 -117.62 135.26 54.1 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.409 -0.814 . . . . 15.0 109.026 176.347 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 0.705 ' HD3' ' C ' ' A' ' 444' ' ' LYS . 0.0 OUTLIER -89.71 128.1 36.05 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.321 0.582 . . . . 15.0 110.227 -176.263 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 19.7 p -89.84 150.45 22.23 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.263 -0.881 . . . . 15.0 109.428 177.542 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -51.66 -18.33 1.15 Allowed 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 113.483 0.92 . . . . 15.0 113.483 -175.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -84.12 5.28 26.73 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-O 121.188 0.518 . . . . 15.0 110.826 177.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . 0.519 ' O ' ' HG3' ' A' ' 444' ' ' LYS . . . 90.36 37.08 6.74 Favored Glycine 0 N--CA 1.452 -0.267 0 N-CA-C 115.97 1.148 . . . . 15.0 115.97 164.757 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.705 ' C ' ' HD3' ' A' ' 439' ' ' LYS . 2.5 mptt -153.39 166.97 30.96 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 117.522 0.661 . . . . 15.0 111.424 169.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 445' ' ' THR . . . . . 0.499 ' HB ' ' HB3' ' A' ' 437' ' ' GLU . 15.2 p -95.26 139.09 32.07 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.792 -0.64 . . . . 15.0 111.343 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . 0.445 ' CE1' ' HB2' ' A' ' 438' ' ' TYR . 31.8 p90 -106.4 142.38 36.16 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.803 -0.814 . . . . 15.0 108.803 173.46 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . 0.466 ' CZ ' ' HG3' ' A' ' 459' ' ' LYS . 38.4 m-85 -91.97 116.92 29.33 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 121.245 0.545 . . . . 15.0 110.802 -169.596 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . 0.507 ' HD1' ' HB3' ' A' ' 455' ' ' SER . 31.8 t80 -124.85 121.8 35.57 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.394 -0.821 . . . . 15.0 110.631 -172.348 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.631 ' HB3' ' OG1' ' A' ' 452' ' ' THR . 41.5 t-20 -93.15 123.62 36.54 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 108.128 -1.064 . . . . 15.0 108.128 173.294 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 54.2 m-80 -74.36 -42.36 59.47 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 112.695 0.628 . . . . 15.0 112.695 -171.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 39.8 mtm-85 -90.24 -1.71 57.96 Favored 'General case' 0 C--N 1.333 -0.114 0 C-N-CA 118.073 -1.451 . . . . 15.0 112.24 -174.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 452' ' ' THR . . . . . 0.631 ' OG1' ' HB3' ' A' ' 449' ' ' ASN . 76.2 p -91.63 -37.43 13.07 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.282 0.563 . . . . 15.0 109.484 159.423 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 453' ' ' ASP . . . . . . . . . . . . . 19.2 t70 78.09 24.65 0.67 Allowed 'General case' 0 C--N 1.343 0.301 0 CA-C-N 113.653 -1.612 . . . . 15.0 109.843 -175.01 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . 0.485 ' HG2' ' HG1' ' A' ' 452' ' ' THR . 10.6 pt-20 -97.73 147.51 24.29 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 121.019 0.437 . . . . 15.0 110.91 -176.812 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 455' ' ' SER . . . . . 0.507 ' HB3' ' HD1' ' A' ' 448' ' ' TYR . 9.1 p -123.16 123.05 39.93 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.873 -0.603 . . . . 15.0 110.282 178.83 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 9.7 t -135.74 150.18 49.43 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.196 -0.456 . . . . 15.0 110.261 -178.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 91.2 m95 -95.99 1.75 52.95 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.379 0.609 . . . . 15.0 109.793 176.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -93.56 120.47 33.87 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.152 -0.931 . . . . 15.0 109.485 177.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . 0.466 ' HG3' ' CZ ' ' A' ' 447' ' ' TYR . 19.2 tttm -68.02 113.33 14.26 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.566 -0.288 . . . . 15.0 111.062 -173.173 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . 1.044 ' HG2' ' HB3' ' A' ' 463' ' ' LEU . 1.5 Cg_endo -50.0 149.98 10.75 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 124.039 3.159 . . . . 15.0 113.309 178.679 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -60.57 -31.17 70.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 15.0 111.354 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -81.85 -18.03 45.3 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.125 -0.489 . . . . 15.0 111.21 179.222 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . 1.044 ' HB3' ' HG2' ' A' ' 460' ' ' PRO . 48.4 tp -120.12 28.74 7.89 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.982 -0.553 . . . . 15.0 110.073 -176.04 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 24.3 mmtm . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.282 -0.866 . . . . 15.0 110.695 177.487 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 . . . . . 0 C--O 1.235 0.298 0 CA-C-O 121.213 0.53 . . . . 15.0 109.731 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 58.8 m95 -102.27 118.62 37.26 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.276 -0.875 . . . . 15.0 109.762 176.37 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 10.3 m -101.02 148.4 25.09 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.935 -0.394 . . . . 15.0 109.935 179.446 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . 0.445 ' HB3' HG21 ' A' ' 445' ' ' THR . 44.2 mt-10 -102.22 128.22 48.84 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.209 0.528 . . . . 15.0 111.094 -179.531 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . 0.464 ' O ' ' HA ' ' A' ' 445' ' ' THR . 85.7 m-85 -123.6 125.37 44.72 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.616 -0.72 . . . . 15.0 109.304 173.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 0.807 ' HD3' ' C ' ' A' ' 444' ' ' LYS . 4.0 tppp? -89.91 131.95 35.56 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.154 0.502 . . . . 15.0 110.867 -175.615 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 20.3 p -89.9 150.56 22.14 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.327 -0.851 . . . . 15.0 109.734 176.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -46.03 -31.67 2.41 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 113.191 0.811 . . . . 15.0 113.191 -177.282 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -77.82 3.5 14.16 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 121.026 0.441 . . . . 15.0 111.219 -178.525 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.23 41.44 5.52 Favored Glycine 0 CA--C 1.519 0.33 0 N-CA-C 115.521 0.968 . . . . 15.0 115.521 166.079 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.807 ' C ' ' HD3' ' A' ' 439' ' ' LYS . 8.0 mptt -150.36 155.93 40.55 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 117.839 0.819 . . . . 15.0 112.048 170.625 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 445' ' ' THR . . . . . 0.605 HG22 ' HE3' ' A' ' 439' ' ' LYS . 6.6 p -94.47 137.66 33.34 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-O 121.268 0.556 . . . . 15.0 111.409 179.317 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 55.2 p90 -102.34 137.61 40.36 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 107.891 -1.152 . . . . 15.0 107.891 171.071 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 63.8 m-85 -89.84 113.09 24.62 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 121.639 0.733 . . . . 15.0 110.882 -171.073 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . 0.475 ' HA ' ' O ' ' A' ' 454' ' ' GLU . 52.3 t80 -108.49 123.97 49.71 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 114.666 -1.152 . . . . 15.0 110.687 -176.624 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.498 ' HB3' ' HG2' ' A' ' 454' ' ' GLU . 24.5 t-20 -89.79 132.12 35.39 Favored 'General case' 0 CA--C 1.507 -0.684 0 N-CA-C 108.773 -0.825 . . . . 15.0 108.773 174.625 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 41.8 m-80 -75.76 -50.14 16.12 Favored 'General case' 0 C--N 1.313 -0.998 0 N-CA-C 112.874 0.694 . . . . 15.0 112.874 -172.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 60.5 mtm180 -90.26 -1.66 57.95 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 118.56 -1.256 . . . . 15.0 112.721 -170.111 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 452' ' ' THR . . . . . 0.441 ' OG1' ' HB3' ' A' ' 449' ' ' ASN . 46.1 p -91.59 -38.62 12.36 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.491 0.663 . . . . 15.0 110.169 158.204 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 453' ' ' ASP . . . . . . . . . . . . . 21.6 t70 66.91 75.04 0.32 Allowed 'General case' 0 N--CA 1.462 0.15 0 CA-C-N 113.822 -1.535 . . . . 15.0 109.622 -166.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . 0.498 ' HG2' ' HB3' ' A' ' 449' ' ' ASN . 14.4 pt-20 -144.57 150.15 37.01 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.323 -0.853 . . . . 15.0 109.855 -178.811 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 47.0 m -123.4 120.13 32.07 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.963 0.411 . . . . 15.0 111.009 179.184 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 15.4 t -128.48 149.96 50.36 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.177 -0.465 . . . . 15.0 109.952 179.265 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 91.8 m95 -96.14 6.05 49.69 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.863 0.363 . . . . 15.0 110.438 179.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -96.38 141.74 29.34 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.136 -0.69 . . . . 15.0 109.136 175.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . 0.452 ' HE3' ' O ' ' A' ' 463' ' ' LEU . 49.2 tttp -83.28 118.74 72.51 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 116.524 -0.307 . . . . 15.0 111.577 -172.003 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . 0.446 ' HD2' ' HA ' ' A' ' 459' ' ' LYS . 15.0 Cg_endo -59.62 143.59 99.62 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 123.09 2.527 . . . . 15.0 112.022 177.561 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -63.19 -30.71 71.81 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.773 -0.649 . . . . 15.0 111.127 -177.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . 0.508 ' OE2' ' HB2' ' A' ' 463' ' ' LEU . 0.0 OUTLIER -70.3 -14.13 62.46 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.663 -0.698 . . . . 15.0 111.756 -179.668 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . 0.508 ' HB2' ' OE2' ' A' ' 462' ' ' GLU . 18.6 tp -120.18 9.32 11.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.004 0.43 . . . . 15.0 110.164 178.353 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 1.8 ttpm? . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.246 -0.883 . . . . 15.0 110.981 -174.546 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 . . . . . 0 C--O 1.234 0.267 0 CA-C-O 121.078 0.466 . . . . 15.0 110.808 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 70.6 m95 -99.91 119.14 37.76 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.695 -0.684 . . . . 15.0 110.536 179.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 3.3 m -114.97 146.13 41.53 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.221 -0.659 . . . . 15.0 109.221 178.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -121.54 150.33 41.79 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.408 0.623 . . . . 15.0 110.711 -177.006 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . 0.445 ' O ' ' HA ' ' A' ' 445' ' ' THR . 84.4 m-85 -135.22 137.72 42.9 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 114.78 -1.1 . . . . 15.0 109.152 -178.771 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 0.802 ' HZ1' ' HB2' ' A' ' 439' ' ' LYS . 0.0 OUTLIER -89.98 127.02 35.95 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.216 0.531 . . . . 15.0 109.978 -179.599 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 16.8 p -89.62 150.63 22.29 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.111 -0.95 . . . . 15.0 110.119 -178.207 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -49.41 -20.53 0.71 Allowed 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 113.872 1.064 . . . . 15.0 113.872 -175.104 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -79.62 -0.83 35.4 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 121.139 0.495 . . . . 15.0 110.412 177.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . 0.523 ' C ' ' HD2' ' A' ' 439' ' ' LYS . . . 90.1 38.81 6.27 Favored Glycine 0 N--CA 1.447 -0.567 0 CA-C-N 115.64 -0.709 . . . . 15.0 114.417 171.353 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.724 ' C ' ' HD3' ' A' ' 439' ' ' LYS . 35.9 mttp -148.53 158.03 43.86 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 117.599 0.699 . . . . 15.0 112.728 174.448 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 445' ' ' THR . . . . . 0.481 HG23 ' NZ ' ' A' ' 439' ' ' LYS . 1.0 OUTLIER -97.95 141.4 30.97 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.156 -0.474 . . . . 15.0 111.929 179.14 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 31.3 p90 -117.88 149.99 39.94 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 108.685 -0.857 . . . . 15.0 108.685 172.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -103.16 129.72 50.13 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 122.102 0.953 . . . . 15.0 111.704 -172.527 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . 0.513 ' HD2' ' HB3' ' A' ' 455' ' ' SER . 39.9 t80 -123.25 121.17 35.22 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 114.227 -1.351 . . . . 15.0 109.874 -173.628 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.45 ' HB3' ' HG2' ' A' ' 454' ' ' GLU . 24.8 t-20 -90.35 132.66 35.46 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 108.959 -0.756 . . . . 15.0 108.959 175.558 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 39.5 m-80 -76.89 -48.72 17.47 Favored 'General case' 0 C--N 1.313 -1.02 0 N-CA-C 113.027 0.751 . . . . 15.0 113.027 -173.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 58.3 mtm180 -90.01 -1.74 58.01 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 118.349 -1.34 . . . . 15.0 112.853 -171.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 452' ' ' THR . . . . . 0.522 ' HG1' ' HG2' ' A' ' 454' ' ' GLU . 76.8 p -91.36 -35.89 14.15 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.42 -0.585 . . . . 15.0 109.42 157.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 453' ' ' ASP . . . . . . . . . . . . . 26.0 t70 76.74 27.29 0.77 Allowed 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 113.664 -1.607 . . . . 15.0 109.508 -175.366 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . 0.522 ' HG2' ' HG1' ' A' ' 452' ' ' THR . 14.4 pt-20 -97.55 137.8 35.93 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 116.022 -0.535 . . . . 15.0 111.184 -176.629 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 455' ' ' SER . . . . . 0.513 ' HB3' ' HD2' ' A' ' 448' ' ' TYR . 12.2 p -110.18 121.94 46.45 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.172 -0.467 . . . . 15.0 110.375 173.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 9.9 t -137.68 150.11 47.08 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.892 0.377 . . . . 15.0 110.386 -178.408 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 81.4 m95 -90.95 7.14 41.69 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.005 0.431 . . . . 15.0 110.691 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -92.73 142.66 27.1 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.06 -0.518 . . . . 15.0 109.905 175.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . 0.59 ' HE2' ' O ' ' A' ' 463' ' ' LEU . 75.9 tttt -84.51 125.0 72.74 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 116.292 -0.413 . . . . 15.0 110.35 -177.136 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . 0.558 ' HG2' ' HB3' ' A' ' 463' ' ' LEU . 17.1 Cg_endo -57.98 140.15 92.93 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 123.208 2.605 . . . . 15.0 112.561 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -66.29 -9.97 37.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.76 -0.655 . . . . 15.0 112.23 -177.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -88.69 -20.32 25.01 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.129 -0.487 . . . . 15.0 110.587 177.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . 0.59 ' O ' ' HE2' ' A' ' 459' ' ' LYS . 19.2 tp -120.02 18.33 12.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.056 -0.52 . . . . 15.0 110.902 -169.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 25.8 mtmm . . . . . 0 C--O 1.248 0.988 0 CA-C-O 118.161 -0.923 . . . . 15.0 110.388 179.697 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 434' ' ' GLU . . . . . 0.579 ' HB3' ' ND2' ' A' ' 449' ' ' ASN . 21.2 mm-40 . . . . . 0 N--CA 1.453 -0.281 0 CA-C-O 121.062 0.458 . . . . 15.0 110.878 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.471 ' CD2' ' HB2' ' A' ' 449' ' ' ASN . 55.6 m95 -90.65 123.2 34.08 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.614 -0.721 . . . . 15.0 110.456 -176.832 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 2.7 m -113.69 146.47 39.77 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.001 -0.545 . . . . 15.0 109.694 177.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . 0.42 ' CD ' HG21 ' A' ' 445' ' ' THR . 4.6 tm-20 -90.0 113.94 25.7 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.339 0.59 . . . . 15.0 110.135 -178.456 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 80.0 m-85 -110.64 148.02 33.09 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 114.948 -1.024 . . . . 15.0 108.946 175.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 0.827 ' HD2' ' N ' ' A' ' 444' ' ' LYS . 0.1 OUTLIER -103.92 138.93 39.79 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.24 0.543 . . . . 15.0 111.044 -176.818 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 440' ' ' THR . . . . . 0.509 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 29.5 p -89.75 150.43 22.29 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.329 -0.85 . . . . 15.0 109.318 173.144 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -54.13 -23.47 14.23 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 112.791 0.664 . . . . 15.0 112.791 -175.315 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -80.99 -0.8 41.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.765 0.316 . . . . 15.0 111.307 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 88.78 55.79 2.09 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 121.089 -0.577 . . . . 15.0 112.658 175.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.827 ' N ' ' HD2' ' A' ' 439' ' ' LYS . 14.5 mmtp -140.52 142.68 35.21 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 116.7 2.111 . . . . 15.0 116.7 -178.263 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 445' ' ' THR . . . . . 0.42 HG21 ' CD ' ' A' ' 437' ' ' GLU . 20.9 p -89.59 139.69 30.3 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 114.981 -1.008 . . . . 15.0 110.711 179.057 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 45.7 p90 -149.96 145.14 26.3 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.317 -0.623 . . . . 15.0 109.317 173.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 66.4 m-85 -98.69 114.54 27.09 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-O 121.387 0.613 . . . . 15.0 110.628 -173.197 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . 0.493 ' HD2' ' HB3' ' A' ' 455' ' ' SER . 44.0 t80 -106.09 119.48 39.33 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 114.999 -1.0 . . . . 15.0 110.055 -175.237 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.579 ' ND2' ' HB3' ' A' ' 434' ' ' GLU . 21.5 t-20 -89.72 134.61 34.08 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 108.728 -0.841 . . . . 15.0 108.728 176.252 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 42.9 m-80 -76.89 -52.94 8.55 Favored 'General case' 0 C--N 1.315 -0.925 0 N-CA-C 113.1 0.778 . . . . 15.0 113.1 -171.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -90.14 -1.86 58.0 Favored 'General case' 0 CA--C 1.515 -0.392 0 C-N-CA 118.169 -1.413 . . . . 15.0 112.487 -171.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 452' ' ' THR . . . . . 0.865 ' HG1' ' HG2' ' A' ' 454' ' ' GLU . 26.3 p -91.82 -32.19 15.44 Favored 'General case' 0 C--N 1.308 -1.224 0 CA-C-O 121.58 0.705 . . . . 15.0 109.436 161.015 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 453' ' ' ASP . . . . . . . . . . . . . 29.3 t70 69.9 31.64 3.36 Favored 'General case' 0 C--N 1.343 0.319 0 CA-C-N 113.656 -1.611 . . . . 15.0 110.391 178.176 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . 0.865 ' HG2' ' HG1' ' A' ' 452' ' ' THR . 14.7 pt-20 -122.01 148.88 44.27 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.667 -0.697 . . . . 15.0 110.475 -177.76 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 455' ' ' SER . . . . . 0.493 ' HB3' ' HD2' ' A' ' 448' ' ' TYR . 5.9 p -117.22 130.58 56.67 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.273 -0.421 . . . . 15.0 111.037 -178.306 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 8.9 t -119.72 150.05 41.01 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.104 -0.498 . . . . 15.0 110.479 179.194 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 83.0 m95 -96.44 2.17 52.32 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.158 -0.474 . . . . 15.0 110.092 178.207 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -109.07 151.71 26.03 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.88 -0.6 . . . . 15.0 109.596 -179.228 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . 0.721 ' HB3' ' HZ1' ' A' ' 459' ' ' LYS . 9.8 mtpm? -72.62 118.7 70.14 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-O 121.159 0.504 . . . . 15.0 111.415 -177.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . 0.572 ' HG2' ' HB2' ' A' ' 463' ' ' LEU . 11.2 Cg_endo -57.65 150.34 62.08 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 123.702 2.935 . . . . 15.0 112.396 177.458 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 4.9 pm0 -56.33 -25.23 48.26 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.026 -0.534 . . . . 15.0 112.068 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . 0.41 ' OE2' ' HB2' ' A' ' 434' ' ' GLU . 11.7 pt-20 -89.88 7.32 37.83 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 116.114 -0.494 . . . . 15.0 111.655 179.585 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . 0.572 ' HB2' ' HG2' ' A' ' 460' ' ' PRO . 31.1 tp -116.96 9.04 13.62 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.161 0.505 . . . . 15.0 110.622 179.617 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 21.7 pttp . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.276 -0.869 . . . . 15.0 109.961 176.025 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 434' ' ' GLU . . . . . 0.535 ' HB3' ' ND2' ' A' ' 449' ' ' ASN . 6.2 mm-40 . . . . . 0 CA--C 1.518 -0.266 0 CA-C-O 120.937 0.398 . . . . 15.0 110.772 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.504 ' HA ' ' O ' ' A' ' 448' ' ' TYR . 71.5 m95 -112.29 119.93 39.98 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.442 -0.799 . . . . 15.0 110.633 -174.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 2.4 m -99.16 145.01 27.64 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.017 -0.538 . . . . 15.0 109.592 176.461 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -104.31 123.74 47.92 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.278 0.561 . . . . 15.0 110.602 -176.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . 0.555 ' O ' ' HA ' ' A' ' 445' ' ' THR . 93.4 m-85 -123.42 140.37 53.08 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.397 -0.819 . . . . 15.0 110.285 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 0.825 ' HD3' ' C ' ' A' ' 444' ' ' LYS . 11.2 tppt? -95.17 132.91 39.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.2 0.524 . . . . 15.0 109.926 175.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 9.8 p -89.64 151.0 22.12 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.36 -0.836 . . . . 15.0 110.365 -179.154 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -50.76 -20.97 1.42 Allowed 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 113.11 0.782 . . . . 15.0 113.11 -178.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -77.64 -5.03 48.96 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 121.027 0.441 . . . . 15.0 111.001 175.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . 0.443 ' C ' ' HD2' ' A' ' 439' ' ' LYS . . . 90.15 39.39 6.08 Favored Glycine 0 N--CA 1.447 -0.583 0 CA-C-N 115.628 -0.714 . . . . 15.0 114.153 173.682 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.825 ' C ' ' HD3' ' A' ' 439' ' ' LYS . 48.0 mtpt -145.16 153.54 41.48 Favored 'General case' 0 C--O 1.221 -0.42 0 N-CA-C 113.346 0.869 . . . . 15.0 113.346 175.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 445' ' ' THR . . . . . 0.555 ' HA ' ' O ' ' A' ' 438' ' ' TYR . 0.1 OUTLIER -99.41 150.11 22.49 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.833 -0.621 . . . . 15.0 112.239 -176.6 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 47.2 p90 -142.57 150.06 39.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.528 -0.76 . . . . 15.0 109.336 -177.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -98.11 126.49 43.58 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.404 0.621 . . . . 15.0 111.089 -175.155 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . 0.504 ' O ' ' HA ' ' A' ' 435' ' ' TRP . 43.0 t80 -116.65 120.12 37.64 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 115.355 -0.839 . . . . 15.0 110.315 -174.129 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.535 ' ND2' ' HB3' ' A' ' 434' ' ' GLU . 23.1 t-20 -89.77 134.36 34.22 Favored 'General case' 0 CA--C 1.507 -0.691 0 N-CA-C 108.693 -0.854 . . . . 15.0 108.693 177.726 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 41.6 m-80 -83.54 -50.18 8.5 Favored 'General case' 0 C--N 1.312 -1.03 0 N-CA-C 113.259 0.837 . . . . 15.0 113.259 -170.376 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 46.0 mtm180 -90.06 -1.76 58.01 Favored 'General case' 0 N--CA 1.462 0.173 0 C-N-CA 118.419 -1.312 . . . . 15.0 112.728 -173.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 452' ' ' THR . . . . . 0.49 ' HG1' ' HG2' ' A' ' 454' ' ' GLU . 71.2 p -91.4 -36.65 13.68 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.553 0.692 . . . . 15.0 109.54 160.069 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 453' ' ' ASP . . . . . . . . . . . . . 26.5 t70 67.51 71.38 0.35 Allowed 'General case' 0 C--O 1.231 0.125 0 CA-C-N 113.611 -1.631 . . . . 15.0 109.752 -173.047 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . 0.49 ' HG2' ' HG1' ' A' ' 452' ' ' THR . 12.8 pt-20 -150.2 150.24 31.31 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.236 -0.893 . . . . 15.0 111.001 -178.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 10.2 p -112.35 129.38 56.32 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.106 -0.497 . . . . 15.0 111.145 179.477 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 21.7 m -132.59 139.51 47.83 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.094 -0.503 . . . . 15.0 110.084 -178.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 91.3 m95 -89.01 -25.67 21.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.722 0.296 . . . . 15.0 111.497 -178.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -75.55 137.07 40.59 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.179 -0.464 . . . . 15.0 109.907 174.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . 1.053 ' HB3' ' HE3' ' A' ' 464' ' ' LYS . 32.9 tttm -67.2 114.2 17.42 Favored Pre-proline 0 C--N 1.326 -0.417 0 N-CA-C 109.792 -0.448 . . . . 15.0 109.792 -179.498 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . 0.717 ' HG2' ' HB3' ' A' ' 463' ' ' LEU . 10.1 Cg_endo -53.63 146.32 44.29 Favored 'Trans proline' 0 N--CA 1.476 0.446 0 C-N-CA 123.969 3.112 . . . . 15.0 112.901 -176.503 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -63.67 -22.85 67.12 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 111.851 0.315 . . . . 15.0 111.851 -178.114 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 2.5 pm0 -82.15 -15.48 53.15 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.711 0.291 . . . . 15.0 111.251 177.586 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . 0.717 ' HB3' ' HG2' ' A' ' 460' ' ' PRO . 29.6 tp -120.27 3.45 10.85 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.843 0.354 . . . . 15.0 110.51 -178.581 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . 1.053 ' HE3' ' HB3' ' A' ' 459' ' ' LYS . 8.3 mmtp . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.256 -0.878 . . . . 15.0 110.577 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 . . . . . 0 C--O 1.235 0.307 0 CA-C-O 120.674 0.273 . . . . 15.0 110.459 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.46 ' CZ3' HG23 ' A' ' 456' ' ' THR . 86.6 m95 -102.59 124.57 48.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.083 -0.508 . . . . 15.0 110.841 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 2.8 m -111.43 144.01 41.32 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.895 -0.409 . . . . 15.0 109.895 176.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . 0.416 ' HG2' HG22 ' A' ' 445' ' ' THR . 31.3 tt0 -99.98 122.55 43.05 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.267 0.556 . . . . 15.0 110.221 -176.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 90.4 m-85 -124.33 150.23 45.7 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.324 -0.853 . . . . 15.0 109.662 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 0.862 ' HD2' ' N ' ' A' ' 444' ' ' LYS . 13.6 tppt? -104.16 138.34 40.79 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.994 0.426 . . . . 15.0 111.054 179.325 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 440' ' ' THR . . . . . 0.467 HG23 ' CE1' ' A' ' 446' ' ' TYR . 6.1 p -89.81 150.29 22.31 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.774 -0.648 . . . . 15.0 109.663 172.443 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -64.08 1.87 0.63 Allowed 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 113.314 0.857 . . . . 15.0 113.314 -174.452 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -100.52 2.28 41.82 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.797 0.332 . . . . 15.0 110.455 178.106 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.05 54.91 2.07 Favored Glycine 0 C--N 1.332 0.321 0 C-N-CA 121.243 -0.503 . . . . 15.0 112.62 178.13 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.862 ' N ' ' HD2' ' A' ' 439' ' ' LYS . 33.0 mttp -150.11 132.59 15.68 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 115.004 1.483 . . . . 15.0 115.004 -177.451 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 445' ' ' THR . . . . . 0.416 HG22 ' HG2' ' A' ' 437' ' ' GLU . 0.0 OUTLIER -93.74 148.77 21.81 Favored 'General case' 0 C--N 1.315 -0.896 0 C-N-CA 121.153 -0.219 . . . . 15.0 110.632 177.506 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . 0.467 ' CE1' HG23 ' A' ' 440' ' ' THR . 54.4 p90 -149.95 150.06 31.3 Favored 'General case' 0 CA--C 1.515 -0.397 0 N-CA-C 109.612 -0.514 . . . . 15.0 109.612 -176.291 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -104.98 120.34 41.22 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.474 0.654 . . . . 15.0 111.102 -171.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . 0.567 ' CD2' ' HB3' ' A' ' 455' ' ' SER . 35.2 t80 -113.39 119.62 38.26 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 114.648 -1.16 . . . . 15.0 109.767 -176.502 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.615 ' HB3' ' OG1' ' A' ' 452' ' ' THR . 46.2 t-20 -90.13 126.97 35.98 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.978 -0.749 . . . . 15.0 108.978 177.634 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 45.6 m-80 -80.47 -41.2 24.79 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.49 -0.777 . . . . 15.0 112.623 -171.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 80.9 mtm180 -90.28 -1.49 57.93 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 118.666 -1.214 . . . . 15.0 111.793 -174.419 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 452' ' ' THR . . . . . 0.615 ' OG1' ' HB3' ' A' ' 449' ' ' ASN . 42.5 p -91.55 -47.65 7.29 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.717 0.77 . . . . 15.0 109.357 160.07 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 453' ' ' ASP . . . . . . . . . . . . . 30.1 t70 81.93 36.18 0.07 Allowed 'General case' 0 C--N 1.342 0.247 0 CA-C-N 112.779 -2.009 . . . . 15.0 109.71 -172.264 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . 0.481 ' HG3' ' HB ' ' A' ' 452' ' ' THR . 1.1 pp20? -128.73 145.49 51.16 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.234 0.54 . . . . 15.0 111.045 175.845 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 455' ' ' SER . . . . . 0.567 ' HB3' ' CD2' ' A' ' 448' ' ' TYR . 13.0 p -116.76 135.1 54.03 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.474 -0.785 . . . . 15.0 110.949 -177.435 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 456' ' ' THR . . . . . 0.46 HG23 ' CZ3' ' A' ' 435' ' ' TRP . 14.4 t -133.01 150.05 52.18 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.925 -0.579 . . . . 15.0 109.719 177.211 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.527 ' HZ3' ' HB3' ' A' ' 444' ' ' LYS . 74.2 m95 -86.19 -3.28 58.93 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.122 0.487 . . . . 15.0 110.25 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -83.2 136.07 34.55 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.628 -0.715 . . . . 15.0 109.615 176.338 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . 0.516 ' HE2' ' O ' ' A' ' 463' ' ' LEU . 70.7 tttt -77.33 123.44 86.97 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 116.49 -0.323 . . . . 15.0 110.795 -175.623 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -69.18 149.16 70.24 Favored 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 122.818 2.345 . . . . 15.0 112.257 -179.174 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -57.81 -27.86 63.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.744 -0.662 . . . . 15.0 112.055 -175.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -72.4 -22.15 61.16 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.05 0.389 . . . . 15.0 112.05 -176.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . 0.516 ' O ' ' HE2' ' A' ' 459' ' ' LYS . 6.3 tp -120.23 3.28 10.88 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.675 -0.41 . . . . 15.0 111.005 -172.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 64.2 tttm . . . . . 0 C--O 1.253 1.27 0 CA-C-O 118.378 -0.82 . . . . 15.0 111.853 -174.177 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 434' ' ' GLU . . . . . 0.495 ' HG3' ' ND2' ' A' ' 449' ' ' ASN . 15.6 tp10 . . . . . 0 C--O 1.234 0.279 0 CA-C-O 121.351 0.596 . . . . 15.0 110.446 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 84.9 m95 -108.65 135.67 49.5 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.351 -0.841 . . . . 15.0 110.249 177.271 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 3.1 m -126.18 144.73 50.65 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.499 -0.556 . . . . 15.0 109.499 173.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . 0.514 ' HB3' ' CD1' ' A' ' 447' ' ' TYR . 0.2 OUTLIER -110.96 131.12 55.31 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.533 0.683 . . . . 15.0 111.103 -176.515 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -126.96 141.84 51.7 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.429 -0.805 . . . . 15.0 109.483 178.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 0.826 ' HD3' ' C ' ' A' ' 444' ' ' LYS . 10.6 tppt? -93.75 143.34 26.41 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.382 0.61 . . . . 15.0 110.413 -177.739 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 25.0 p -89.62 150.71 22.26 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.108 -0.951 . . . . 15.0 109.872 178.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -49.91 -25.14 2.95 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 112.966 0.728 . . . . 15.0 112.966 -179.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -80.55 -6.12 57.76 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 120.902 0.382 . . . . 15.0 110.758 178.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.32 51.47 2.74 Favored Glycine 0 N--CA 1.449 -0.48 0 CA-C-N 115.943 -0.571 . . . . 15.0 114.254 176.036 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.826 ' C ' ' HD3' ' A' ' 439' ' ' LYS . 42.6 mttp -146.19 149.94 34.91 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 117.489 0.645 . . . . 15.0 112.626 168.229 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 445' ' ' THR . . . . . 0.572 ' N ' ' HD3' ' A' ' 439' ' ' LYS . 0.0 OUTLIER -96.66 145.3 25.89 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.17 0.509 . . . . 15.0 111.563 -179.041 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 52.0 p90 -130.09 146.81 51.77 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.282 -0.872 . . . . 15.0 108.656 175.132 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . 0.514 ' CD1' ' HB3' ' A' ' 437' ' ' GLU . 64.0 m-85 -99.98 123.69 44.5 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.379 0.609 . . . . 15.0 111.065 -174.631 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . 0.482 ' HD1' ' HG ' ' A' ' 455' ' ' SER . 55.1 t80 -109.43 124.09 50.44 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.247 -0.888 . . . . 15.0 110.665 -178.635 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.551 ' HB3' ' OG1' ' A' ' 452' ' ' THR . 24.1 t-20 -94.44 135.42 35.89 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.635 -0.876 . . . . 15.0 108.635 172.854 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 43.4 m-80 -76.82 -53.01 8.48 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 113.141 0.793 . . . . 15.0 113.141 -170.047 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 46.6 mtm180 -88.99 -1.11 57.95 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 118.836 -1.145 . . . . 15.0 112.306 -172.288 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 452' ' ' THR . . . . . 0.551 ' OG1' ' HB3' ' A' ' 449' ' ' ASN . 80.4 p -91.34 -31.49 16.06 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.422 0.629 . . . . 15.0 109.692 158.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 453' ' ' ASP . . . . . . . . . . . . . 36.8 t70 66.62 31.23 7.9 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 114.195 -1.366 . . . . 15.0 109.664 -175.159 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -101.14 141.36 34.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.663 -0.699 . . . . 15.0 110.339 -178.324 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 455' ' ' SER . . . . . 0.482 ' HG ' ' HD1' ' A' ' 448' ' ' TYR . 15.6 m -117.55 115.79 25.82 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.298 -0.63 . . . . 15.0 109.298 174.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 14.6 t -130.97 150.47 52.11 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.302 0.572 . . . . 15.0 110.842 -175.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 70.9 m95 -89.88 0.31 57.13 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.669 -0.696 . . . . 15.0 110.241 178.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -87.31 153.24 21.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.547 -0.751 . . . . 15.0 109.555 177.109 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . 0.488 ' HE2' ' O ' ' A' ' 463' ' ' LEU . 63.1 tttt -81.21 124.91 80.46 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 116.454 -0.339 . . . . 15.0 110.697 -175.587 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . 0.539 ' HG2' ' HB3' ' A' ' 463' ' ' LEU . 6.6 Cg_endo -51.95 140.71 48.35 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 123.476 2.784 . . . . 15.0 112.656 178.176 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -72.05 -1.6 15.31 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.116 -0.493 . . . . 15.0 111.724 -176.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -102.94 -4.93 24.04 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.945 0.402 . . . . 15.0 110.383 174.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . 0.539 ' HB3' ' HG2' ' A' ' 460' ' ' PRO . 21.7 tp -120.03 21.17 11.95 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.237 -0.438 . . . . 15.0 110.031 -176.313 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 21.2 mtmm . . . . . 0 C--O 1.248 0.984 0 CA-C-O 118.469 -0.777 . . . . 15.0 111.13 -175.564 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 434' ' ' GLU . . . . . 0.493 ' O ' ' HA ' ' A' ' 449' ' ' ASN . 14.9 mm-40 . . . . . 0 C--O 1.234 0.247 0 CA-C-O 121.176 0.513 . . . . 15.0 110.93 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.456 ' HB3' ' HB3' ' A' ' 447' ' ' TYR . 34.2 m95 -102.51 114.54 28.84 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.362 -0.835 . . . . 15.0 110.684 -173.482 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 4.9 m -91.4 146.09 24.1 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.844 -0.616 . . . . 15.0 109.65 177.158 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -96.27 126.99 41.86 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.944 0.402 . . . . 15.0 111.462 -175.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . 0.466 ' O ' ' HA ' ' A' ' 445' ' ' THR . 78.0 m-85 -130.66 127.06 38.14 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.454 -0.793 . . . . 15.0 109.398 175.348 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 0.803 ' HD3' ' C ' ' A' ' 444' ' ' LYS . 11.9 tppt? -99.9 142.24 31.65 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 109.493 -0.558 . . . . 15.0 109.493 179.156 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 24.7 p -89.39 150.71 22.41 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 115.442 -0.799 . . . . 15.0 110.013 -178.371 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -49.58 -28.73 6.0 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 112.563 0.579 . . . . 15.0 112.563 -179.568 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -79.76 -4.11 50.55 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 121.159 0.504 . . . . 15.0 111.05 178.352 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.23 52.69 2.49 Favored Glycine 0 N--CA 1.447 -0.59 0 CA-C-N 115.728 -0.669 . . . . 15.0 114.581 174.373 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.803 ' C ' ' HD3' ' A' ' 439' ' ' LYS . 10.7 mttm -146.57 146.07 30.33 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 113.43 0.9 . . . . 15.0 113.43 169.26 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 445' ' ' THR . . . . . 0.624 ' N ' ' HD3' ' A' ' 439' ' ' LYS . 0.0 OUTLIER -96.13 145.47 25.48 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.52 0.676 . . . . 15.0 112.138 -179.242 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 42.7 p90 -129.26 135.78 49.23 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 114.806 -1.088 . . . . 15.0 108.597 171.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . 0.486 ' CD2' ' HD3' ' A' ' 460' ' ' PRO . 73.2 m-85 -92.61 112.36 24.29 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.224 -0.444 . . . . 15.0 110.564 -174.248 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . 0.4 ' CE1' ' HA ' ' A' ' 453' ' ' ASP . 29.1 t80 -100.41 120.99 40.8 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.987 -0.551 . . . . 15.0 110.864 -178.332 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.563 ' HB3' ' OG1' ' A' ' 452' ' ' THR . 37.3 t-20 -89.77 129.3 36.18 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.69 -0.855 . . . . 15.0 108.69 176.725 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 40.7 m-80 -73.23 -49.99 24.82 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 113.281 0.845 . . . . 15.0 113.281 -170.638 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 31.6 mtm180 -90.18 -1.68 57.97 Favored 'General case' 0 C--N 1.333 -0.145 0 C-N-CA 118.268 -1.373 . . . . 15.0 112.225 -173.486 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 452' ' ' THR . . . . . 0.918 ' HG1' ' HG2' ' A' ' 454' ' ' GLU . 70.4 p -91.2 -36.6 13.84 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.948 -0.76 . . . . 15.0 108.948 161.12 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 453' ' ' ASP . . . . . 0.4 ' HA ' ' CE1' ' A' ' 448' ' ' TYR . 36.8 t70 69.88 33.41 2.86 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 113.505 -1.679 . . . . 15.0 109.369 -174.347 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . 0.918 ' HG2' ' HG1' ' A' ' 452' ' ' THR . 10.8 pt-20 -116.99 145.15 43.84 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 115.817 -0.629 . . . . 15.0 110.212 -179.304 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 36.0 m -109.9 118.38 36.31 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.127 0.489 . . . . 15.0 110.982 -179.45 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 54.1 m -110.3 134.65 52.06 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.711 -0.677 . . . . 15.0 109.79 177.223 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 69.3 m95 -89.55 -23.65 21.95 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.145 0.498 . . . . 15.0 109.948 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -72.81 152.39 41.58 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.455 -0.793 . . . . 15.0 109.666 174.196 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . 0.59 ' HG2' ' HA ' ' A' ' 464' ' ' LYS . 18.0 tptm -64.76 120.62 67.75 Favored Pre-proline 0 C--N 1.326 -0.443 0 N-CA-C 110.208 -0.293 . . . . 15.0 110.208 -179.402 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . 0.486 ' HD3' ' CD2' ' A' ' 447' ' ' TYR . 52.5 Cg_exo -56.7 144.14 87.44 Favored 'Trans proline' 0 C--N 1.343 0.253 0 C-N-CA 123.198 2.598 . . . . 15.0 111.826 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -67.29 -9.45 40.98 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.3 0.481 . . . . 15.0 112.3 -175.364 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -98.59 -14.33 19.96 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.135 0.493 . . . . 15.0 110.578 176.219 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 31.4 tp -120.1 0.94 10.82 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.211 -0.45 . . . . 15.0 110.995 -174.236 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . 0.59 ' HA ' ' HG2' ' A' ' 459' ' ' LYS . 19.0 pttp . . . . . 0 C--O 1.245 0.857 0 CA-C-O 118.116 -0.945 . . . . 15.0 111.597 -176.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 434' ' ' GLU . . . . . 0.566 ' O ' ' HA ' ' A' ' 449' ' ' ASN . 19.8 mm-40 . . . . . 0 CA--C 1.519 -0.231 0 CA-C-O 120.884 0.373 . . . . 15.0 110.773 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.485 ' CZ3' HG21 ' A' ' 456' ' ' THR . 68.9 m95 -104.03 122.2 44.75 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.628 -0.714 . . . . 15.0 111.025 -173.328 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 6.3 m -106.04 149.02 27.08 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.811 -0.631 . . . . 15.0 109.879 176.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -101.25 121.49 41.96 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.385 0.612 . . . . 15.0 111.571 -178.264 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . 0.576 ' O ' ' HA ' ' A' ' 445' ' ' THR . 74.8 m-85 -124.72 128.12 48.3 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.252 -0.885 . . . . 15.0 109.049 174.134 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 0.738 ' HD3' ' C ' ' A' ' 444' ' ' LYS . 10.2 tppt? -89.92 125.02 35.21 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.338 0.589 . . . . 15.0 110.668 -177.611 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -89.77 150.74 22.14 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.196 -0.911 . . . . 15.0 110.013 176.662 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -47.84 -15.46 0.06 Allowed 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 114.205 1.187 . . . . 15.0 114.205 -176.448 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -80.66 -2.23 45.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.242 0.544 . . . . 15.0 110.377 177.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . 0.453 ' C ' ' HD2' ' A' ' 439' ' ' LYS . . . 89.97 35.15 7.82 Favored Glycine 0 N--CA 1.448 -0.523 0 CA-C-N 115.46 -0.791 . . . . 15.0 113.759 170.822 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.738 ' C ' ' HD3' ' A' ' 439' ' ' LYS . 33.0 mttp -150.43 157.61 43.22 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 117.093 0.446 . . . . 15.0 112.037 176.333 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 445' ' ' THR . . . . . 0.576 ' HA ' ' O ' ' A' ' 438' ' ' TYR . 33.8 p -93.87 136.33 34.27 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.367 0.603 . . . . 15.0 111.4 178.23 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 52.7 p90 -100.01 136.9 39.21 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 108.412 -0.958 . . . . 15.0 108.412 171.564 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 38.7 m-85 -91.46 114.89 27.55 Favored 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 109.958 -0.386 . . . . 15.0 109.958 -176.124 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . 0.424 ' O ' ' HA ' ' A' ' 435' ' ' TRP . 52.2 t80 -109.87 125.7 53.06 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.204 -0.453 . . . . 15.0 111.062 -177.703 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.739 ' HB3' ' OG1' ' A' ' 452' ' ' THR . 43.8 t-20 -96.07 133.85 39.83 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.401 -0.592 . . . . 15.0 109.401 175.245 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 44.5 m-80 -75.94 -50.54 14.68 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 113.245 0.831 . . . . 15.0 113.245 -172.625 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 50.4 mtm180 -90.2 -1.16 57.9 Favored 'General case' 0 N--CA 1.463 0.183 0 C-N-CA 118.803 -1.159 . . . . 15.0 111.762 -172.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 452' ' ' THR . . . . . 0.739 ' OG1' ' HB3' ' A' ' 449' ' ' ASN . 68.9 p -91.12 -36.08 14.2 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 108.536 -0.913 . . . . 15.0 108.536 161.654 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 453' ' ' ASP . . . . . . . . . . . . . 33.1 t70 69.06 36.26 2.51 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 113.838 -1.528 . . . . 15.0 109.287 -177.066 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . 0.476 ' HG3' ' HB ' ' A' ' 452' ' ' THR . 1.4 pp20? -134.93 150.08 50.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.708 -0.678 . . . . 15.0 111.011 178.4 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 34.5 t -120.62 134.11 55.31 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.657 -0.701 . . . . 15.0 110.693 -176.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 456' ' ' THR . . . . . 0.485 HG21 ' CZ3' ' A' ' 435' ' ' TRP . 8.9 t -120.1 149.79 41.64 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.777 -0.647 . . . . 15.0 109.991 176.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 77.9 m95 -92.66 -3.41 54.97 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.34 0.59 . . . . 15.0 109.703 177.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -93.46 140.81 29.16 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.125 -0.943 . . . . 15.0 109.408 178.089 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . 1.009 ' HD3' ' HA ' ' A' ' 464' ' ' LYS . 33.9 ttmt -55.67 125.18 60.25 Favored Pre-proline 0 C--N 1.328 -0.335 0 O-C-N 123.252 0.345 . . . . 15.0 111.404 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -63.32 150.09 89.5 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 123.296 2.664 . . . . 15.0 112.142 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 32.9 mm-40 -68.21 -11.27 59.01 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.628 0.603 . . . . 15.0 112.628 -174.312 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -99.36 -3.04 34.8 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.153 0.501 . . . . 15.0 110.49 177.111 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 31.3 tp -120.09 8.76 11.02 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.733 -0.667 . . . . 15.0 110.091 -178.11 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . 1.009 ' HA ' ' HD3' ' A' ' 459' ' ' LYS . 19.0 ptpt . . . . . 0 C--O 1.252 1.223 0 CA-C-O 118.955 -0.545 . . . . 15.0 111.604 -175.204 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 . . . . . 0 C--O 1.235 0.307 0 CA-C-O 121.001 0.429 . . . . 15.0 110.329 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.478 ' HA ' ' O ' ' A' ' 448' ' ' TYR . 56.0 m95 -103.45 127.71 50.77 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.51 -0.768 . . . . 15.0 110.751 -175.697 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 3.5 m -117.34 144.02 45.35 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.352 -0.61 . . . . 15.0 109.352 175.379 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . 0.629 ' HB3' ' CD1' ' A' ' 447' ' ' TYR . 0.2 OUTLIER -121.2 134.79 55.21 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-O 121.499 0.666 . . . . 15.0 111.437 -176.481 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -122.45 138.17 54.63 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.292 -0.867 . . . . 15.0 109.085 176.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 0.838 ' HD3' ' C ' ' A' ' 444' ' ' LYS . 4.7 tppp? -89.72 127.03 35.88 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.496 -0.557 . . . . 15.0 109.496 -178.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 24.6 p -89.56 150.63 22.34 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 115.415 -0.812 . . . . 15.0 110.017 -176.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -48.19 -22.19 0.61 Allowed 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 113.173 0.805 . . . . 15.0 113.173 -176.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -78.71 -2.21 38.2 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 121.046 0.451 . . . . 15.0 111.063 177.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.94 37.62 6.74 Favored Glycine 0 N--CA 1.448 -0.554 0 CA-C-N 115.927 -0.579 . . . . 15.0 114.517 170.673 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.838 ' C ' ' HD3' ' A' ' 439' ' ' LYS . 35.5 mtmm -151.24 155.49 38.9 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 117.58 0.69 . . . . 15.0 112.472 175.101 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 445' ' ' THR . . . . . 0.668 HG23 ' HE3' ' A' ' 439' ' ' LYS . 0.6 OUTLIER -98.48 143.15 29.23 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.679 -0.691 . . . . 15.0 111.615 -177.663 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 44.5 p90 -115.71 137.79 51.73 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 108.814 -0.81 . . . . 15.0 108.814 171.602 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . 0.629 ' CD1' ' HB3' ' A' ' 437' ' ' GLU . 97.1 m-85 -98.93 122.02 41.64 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-O 121.19 0.519 . . . . 15.0 110.66 -174.647 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . 0.478 ' O ' ' HA ' ' A' ' 435' ' ' TRP . 46.0 t80 -113.38 123.81 50.96 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.131 -0.941 . . . . 15.0 111.247 -174.217 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -90.11 139.04 31.01 Favored 'General case' 0 CA--C 1.513 -0.449 0 N-CA-C 109.021 -0.733 . . . . 15.0 109.021 172.162 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 31.3 m-80 -75.14 -62.21 1.63 Allowed 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 113.57 0.952 . . . . 15.0 113.57 -172.642 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -87.67 -1.57 58.04 Favored 'General case' 0 CA--C 1.513 -0.455 0 C-N-CA 118.009 -1.477 . . . . 15.0 112.796 -168.182 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 452' ' ' THR . . . . . 0.441 ' HG1' ' HG2' ' A' ' 454' ' ' GLU . 25.9 p -91.93 -29.78 16.47 Favored 'General case' 0 C--N 1.309 -1.185 0 CA-C-O 121.778 0.799 . . . . 15.0 109.688 163.05 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 453' ' ' ASP . . . . . . . . . . . . . 17.1 t70 54.76 75.35 0.3 Allowed 'General case' 0 C--O 1.231 0.109 0 CA-C-N 113.684 -1.598 . . . . 15.0 110.474 -174.225 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . 0.441 ' HG2' ' HG1' ' A' ' 452' ' ' THR . 12.6 pt-20 -144.73 142.5 30.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 114.887 -1.052 . . . . 15.0 109.961 178.302 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 15.0 m -120.88 120.79 36.53 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.11 -0.496 . . . . 15.0 109.952 -178.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 14.7 t -133.73 150.12 51.49 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.019 0.438 . . . . 15.0 111.036 -177.572 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 51.6 m95 -89.54 65.75 7.09 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.531 -0.544 . . . . 15.0 109.531 176.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -158.85 128.84 5.79 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.528 -0.76 . . . . 15.0 109.518 -178.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 33.3 tttm -70.96 116.28 44.8 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 116.128 -0.487 . . . . 15.0 109.927 -177.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . 0.942 ' HG2' ' HB3' ' A' ' 463' ' ' LEU . 11.1 Cg_endo -53.93 150.26 31.18 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 123.625 2.883 . . . . 15.0 112.657 -178.372 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -72.2 -20.09 61.63 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.518 -0.31 . . . . 15.0 111.433 -178.436 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.08 -21.22 33.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.489 0.662 . . . . 15.0 109.907 176.717 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . 0.942 ' HB3' ' HG2' ' A' ' 460' ' ' PRO . 29.3 tp -119.98 30.77 6.84 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.184 -0.917 . . . . 15.0 109.269 -179.319 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.242 0.665 0 CA-C-N 115.362 -0.836 . . . . 15.0 110.542 -177.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 434' ' ' GLU . . . . . 0.444 ' O ' ' HA ' ' A' ' 449' ' ' ASN . 9.6 mm-40 . . . . . 0 N--CA 1.465 0.292 0 N-CA-C 112.999 0.741 . . . . 15.0 112.999 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 79.5 m95 -94.47 116.7 29.1 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.243 0.544 . . . . 15.0 111.675 -170.06 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 2.9 m -107.25 144.1 34.54 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.643 -0.708 . . . . 15.0 109.558 175.266 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -110.12 125.27 52.82 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.978 0.418 . . . . 15.0 111.354 -176.596 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . 0.463 ' O ' ' HA ' ' A' ' 445' ' ' THR . 77.7 m-85 -129.73 134.35 47.57 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.598 -0.728 . . . . 15.0 110.064 176.244 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 0.819 ' HD3' ' C ' ' A' ' 444' ' ' LYS . 4.9 tppp? -91.53 139.34 30.8 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.105 -0.498 . . . . 15.0 109.77 178.149 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 42.6 p -89.44 150.67 22.4 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.704 -0.68 . . . . 15.0 109.847 179.168 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -52.87 -19.72 2.75 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 112.925 0.713 . . . . 15.0 112.925 -178.642 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -89.07 2.75 53.62 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-O 121.381 0.61 . . . . 15.0 110.538 177.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . 0.46 ' O ' ' HG3' ' A' ' 444' ' ' LYS . . . 90.08 42.32 5.33 Favored Glycine 0 N--CA 1.45 -0.43 0 N-CA-C 115.99 1.156 . . . . 15.0 115.99 166.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.819 ' C ' ' HD3' ' A' ' 439' ' ' LYS . 4.3 mptt -148.24 153.9 39.35 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 117.992 0.896 . . . . 15.0 112.425 168.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 445' ' ' THR . . . . . 0.503 HG22 ' HE3' ' A' ' 439' ' ' LYS . 1.0 OUTLIER -91.8 141.07 29.06 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.78 -0.645 . . . . 15.0 112.216 -177.297 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 54.1 p90 -114.45 141.24 47.94 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.873 -0.788 . . . . 15.0 108.873 172.409 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . 0.43 ' OH ' ' HE2' ' A' ' 459' ' ' LYS . 49.5 m-85 -97.1 123.52 40.87 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.192 -0.458 . . . . 15.0 110.418 -174.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . 0.465 ' CD2' ' HB3' ' A' ' 455' ' ' SER . 20.0 t80 -125.4 125.65 43.73 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.238 -0.437 . . . . 15.0 110.838 -173.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.508 ' HB3' ' OG1' ' A' ' 452' ' ' THR . 46.3 t-20 -96.67 128.33 43.51 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.165 -1.05 . . . . 15.0 108.165 172.675 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 48.4 m-80 -78.98 -46.57 17.99 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 112.948 0.721 . . . . 15.0 112.948 -171.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 38.7 mtm180 -90.09 -1.7 57.99 Favored 'General case' 0 N--CA 1.463 0.194 0 C-N-CA 118.362 -1.335 . . . . 15.0 112.58 -173.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 452' ' ' THR . . . . . 0.508 ' OG1' ' HB3' ' A' ' 449' ' ' ASN . 68.4 p -91.4 -34.46 14.85 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.712 0.768 . . . . 15.0 109.1 160.118 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 453' ' ' ASP . . . . . . . . . . . . . 30.6 t70 67.93 57.85 0.5 Allowed 'General case' 0 C--O 1.234 0.263 0 CA-C-N 113.569 -1.65 . . . . 15.0 109.925 -174.138 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . 0.486 ' HG2' ' HB3' ' A' ' 449' ' ' ASN . 13.0 pt-20 -127.78 145.77 50.81 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.055 -0.975 . . . . 15.0 110.277 -179.68 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 455' ' ' SER . . . . . 0.465 ' HB3' ' CD2' ' A' ' 448' ' ' TYR . 15.3 p -121.65 121.66 37.86 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.195 -0.457 . . . . 15.0 110.056 177.297 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 13.2 t -134.01 150.14 51.23 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.21 0.529 . . . . 15.0 111.022 -177.592 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 87.2 m95 -100.15 2.13 42.73 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.939 -0.573 . . . . 15.0 110.293 178.049 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -100.96 132.9 46.15 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.226 -0.657 . . . . 15.0 109.226 177.534 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . 0.472 ' HA ' ' HD2' ' A' ' 460' ' ' PRO . 36.5 ttmt -75.56 118.34 70.15 Favored Pre-proline 0 C--N 1.324 -0.528 0 N-CA-C 112.746 0.647 . . . . 15.0 112.746 -168.237 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . 0.617 ' HG2' ' HB3' ' A' ' 463' ' ' LEU . 2.0 Cg_endo -47.13 150.26 3.14 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 124.337 3.358 . . . . 15.0 112.904 172.079 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -63.07 -34.92 78.62 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.175 -0.466 . . . . 15.0 111.004 -178.636 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -79.81 -12.32 59.78 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.7 -0.682 . . . . 15.0 111.457 -177.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . 0.617 ' HB3' ' HG2' ' A' ' 460' ' ' PRO . 21.6 tp -114.62 4.06 15.0 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.183 0.516 . . . . 15.0 110.125 -175.51 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . 0.673 ' HZ2' ' HB2' ' A' ' 464' ' ' LYS . 4.6 ttmp? . . . . . 0 C--O 1.245 0.845 0 CA-C-O 118.348 -0.834 . . . . 15.0 110.097 -179.573 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 434' ' ' GLU . . . . . 0.444 ' H ' ' HG2' ' A' ' 434' ' ' GLU . 5.4 pt-20 . . . . . 0 C--O 1.233 0.211 0 CA-C-O 121.044 0.449 . . . . 15.0 110.55 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 70.3 m95 -105.51 126.63 52.34 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.469 -0.787 . . . . 15.0 110.677 -178.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 3.0 m -117.36 144.54 44.82 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.249 -0.432 . . . . 15.0 109.842 175.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -99.97 125.54 46.01 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.125 0.488 . . . . 15.0 110.379 -176.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . 0.439 ' HB2' ' CZ ' ' A' ' 446' ' ' TYR . 76.8 m-85 -122.39 150.02 43.0 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.717 -0.674 . . . . 15.0 109.684 177.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 0.852 ' HD2' ' N ' ' A' ' 444' ' ' LYS . 3.4 tppp? -103.71 136.13 43.98 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.872 0.368 . . . . 15.0 111.018 179.359 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 440' ' ' THR . . . . . 0.484 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 20.6 p -89.95 150.26 22.24 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.998 -0.546 . . . . 15.0 109.841 173.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -63.92 -0.66 1.16 Allowed 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 113.464 0.913 . . . . 15.0 113.464 -174.51 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -96.25 1.52 52.17 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 122.021 -0.425 . . . . 15.0 110.133 175.313 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.01 54.7 2.12 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.947 -0.644 . . . . 15.0 112.674 177.618 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.852 ' N ' ' HD2' ' A' ' 439' ' ' LYS . 35.3 mttp -147.47 132.24 17.96 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 115.301 1.593 . . . . 15.0 115.301 -177.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 445' ' ' THR . . . . . 0.655 HG22 ' HE3' ' A' ' 439' ' ' LYS . 0.7 OUTLIER -90.04 141.27 28.84 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 116.125 -0.489 . . . . 15.0 111.068 176.003 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . 0.45 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 51.8 p90 -140.82 148.72 41.02 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.791 -0.448 . . . . 15.0 109.791 178.646 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 57.1 m-85 -99.7 121.03 40.64 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.565 0.698 . . . . 15.0 111.043 -176.333 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 18.0 t80 -108.42 117.42 34.13 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 114.872 -1.058 . . . . 15.0 109.567 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.669 ' HB3' ' OG1' ' A' ' 452' ' ' THR . 39.2 t-20 -91.39 128.61 37.28 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 108.587 -0.894 . . . . 15.0 108.587 174.515 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 46.1 m-80 -72.1 -47.5 50.84 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 115.895 -0.593 . . . . 15.0 112.243 -175.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 78.1 mtm180 -90.1 -1.91 58.02 Favored 'General case' 0 C--N 1.332 -0.154 0 C-N-CA 118.818 -1.153 . . . . 15.0 112.596 -173.255 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 452' ' ' THR . . . . . 0.702 ' HG1' ' HG2' ' A' ' 454' ' ' GLU . 81.3 p -91.12 -39.55 12.09 Favored 'General case' 0 CA--C 1.515 -0.4 0 N-CA-C 108.722 -0.844 . . . . 15.0 108.722 159.47 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 453' ' ' ASP . . . . . . . . . . . . . 31.2 t70 75.09 36.28 0.54 Allowed 'General case' 0 C--N 1.344 0.366 0 CA-C-N 113.334 -1.757 . . . . 15.0 109.518 -175.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . 0.702 ' HG2' ' HG1' ' A' ' 452' ' ' THR . 11.7 pt-20 -114.12 149.92 34.89 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.055 -0.52 . . . . 15.0 111.016 -178.164 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 5.1 m -119.52 114.54 22.42 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.852 -0.613 . . . . 15.0 109.787 176.451 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 7.0 t -140.49 150.18 43.43 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.153 0.501 . . . . 15.0 111.635 -177.438 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.471 ' HZ3' ' HB3' ' A' ' 444' ' ' LYS . 8.0 m95 -85.92 -3.27 58.88 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.454 -0.793 . . . . 15.0 109.975 178.824 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.7 140.6 35.51 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 108.319 -0.993 . . . . 15.0 108.319 -178.793 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . 0.448 ' HA ' ' HD2' ' A' ' 460' ' ' PRO . 42.9 tttm -84.49 116.99 67.65 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-O 120.898 0.38 . . . . 15.0 111.423 -169.568 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . 0.822 ' HG2' ' HB3' ' A' ' 463' ' ' LEU . 9.4 Cg_endo -53.24 145.07 45.72 Favored 'Trans proline' 0 C--N 1.343 0.27 0 C-N-CA 123.589 2.859 . . . . 15.0 112.674 177.733 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 33.2 mm-40 -78.95 -15.84 57.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.309 -0.405 . . . . 15.0 111.661 -178.527 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -88.75 -16.54 31.93 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.395 0.616 . . . . 15.0 110.239 175.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . 0.822 ' HB3' ' HG2' ' A' ' 460' ' ' PRO . 31.0 tp -119.88 35.06 4.97 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.147 -1.057 . . . . 15.0 108.147 176.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 85.7 tttt . . . . . 0 C--O 1.245 0.861 0 CA-C-N 114.882 -1.053 . . . . 15.0 110.731 -174.74 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 434' ' ' GLU . . . . . 0.713 ' HG2' ' ND2' ' A' ' 449' ' ' ASN . 20.7 tt0 . . . . . 0 C--O 1.236 0.362 0 CA-C-O 120.763 0.316 . . . . 15.0 111.272 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 89.7 m95 -117.57 148.45 41.89 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.896 -0.593 . . . . 15.0 111.043 -173.567 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 3.9 m -150.01 145.72 26.59 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.166 -0.679 . . . . 15.0 109.166 171.479 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -112.41 127.65 56.08 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.508 0.671 . . . . 15.0 110.247 179.24 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . 0.523 ' O ' ' HA ' ' A' ' 445' ' ' THR . 98.9 m-85 -115.8 142.79 46.3 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.008 -0.542 . . . . 15.0 110.167 -178.104 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 0.825 ' HZ3' HG22 ' A' ' 445' ' ' THR . 0.0 OUTLIER -89.87 128.51 36.2 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.404 -0.591 . . . . 15.0 109.404 178.347 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 16.4 p -89.58 150.92 22.19 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 115.299 -0.864 . . . . 15.0 110.046 -178.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -47.81 -20.49 0.3 Allowed 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 113.336 0.865 . . . . 15.0 113.336 -178.69 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -81.17 -3.62 52.76 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 121.09 0.471 . . . . 15.0 111.049 177.055 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . 0.434 ' C ' ' HD2' ' A' ' 439' ' ' LYS . . . 90.22 40.31 5.82 Favored Glycine 0 N--CA 1.449 -0.49 0 N-CA-C 114.696 0.639 . . . . 15.0 114.696 171.791 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.784 ' C ' ' HD3' ' A' ' 439' ' ' LYS . 41.6 mmtm -145.32 153.68 41.52 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 117.648 0.724 . . . . 15.0 112.627 173.148 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 445' ' ' THR . . . . . 0.825 HG22 ' HZ3' ' A' ' 439' ' ' LYS . 0.6 OUTLIER -92.83 140.58 29.36 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.854 -0.612 . . . . 15.0 111.248 176.701 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 43.1 p90 -122.23 143.81 49.36 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.603 -0.888 . . . . 15.0 108.603 176.386 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -90.04 114.44 26.32 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-O 121.332 0.587 . . . . 15.0 110.21 -174.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -110.88 122.22 47.32 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.326 -0.852 . . . . 15.0 111.031 -175.362 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.713 ' ND2' ' HG2' ' A' ' 434' ' ' GLU . 24.3 t-20 -95.26 127.48 41.34 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.339 -0.986 . . . . 15.0 108.339 169.597 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 41.9 m-80 -70.96 -48.23 54.55 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 112.852 0.686 . . . . 15.0 112.852 -172.251 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 77.9 mtm180 -90.48 -1.33 57.89 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 118.604 -1.238 . . . . 15.0 112.612 -171.659 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 452' ' ' THR . . . . . 0.612 ' OG1' ' HB3' ' A' ' 449' ' ' ASN . 73.6 p -91.0 -38.48 12.8 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.594 0.711 . . . . 15.0 109.142 159.433 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 453' ' ' ASP . . . . . . . . . . . . . 31.9 t70 72.09 37.33 1.01 Allowed 'General case' 0 C--N 1.343 0.324 0 CA-C-N 113.683 -1.599 . . . . 15.0 109.384 -173.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . 0.451 ' HG2' ' HG1' ' A' ' 452' ' ' THR . 11.8 pt-20 -101.22 137.12 39.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.496 -0.774 . . . . 15.0 110.876 -179.267 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 18.6 m -106.49 105.44 15.48 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.221 -0.659 . . . . 15.0 109.221 173.249 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 15.3 t -120.87 150.05 41.65 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.87 0.367 . . . . 15.0 110.725 -175.102 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 78.8 m95 -105.16 5.68 32.47 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.106 0.479 . . . . 15.0 110.231 -179.361 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -97.87 134.32 41.17 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.24 -0.652 . . . . 15.0 109.24 177.591 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . 0.959 ' HD3' ' HA ' ' A' ' 464' ' ' LYS . 27.5 ttmt -75.79 118.87 74.21 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.012 0.434 . . . . 15.0 112.061 -173.292 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . 0.503 ' HD2' ' HB3' ' A' ' 463' ' ' LEU . 14.3 Cg_exo -70.28 149.37 63.48 Favored 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 123.418 2.746 . . . . 15.0 111.852 176.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 3.3 pm0 -67.3 -19.16 65.44 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.106 -0.497 . . . . 15.0 112.211 -176.28 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -91.79 -8.16 47.51 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.81 0.338 . . . . 15.0 110.827 176.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . 0.503 ' HB3' ' HD2' ' A' ' 460' ' ' PRO . 32.1 tp -119.81 9.11 11.25 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.25 -0.432 . . . . 15.0 110.948 -176.259 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . 0.959 ' HA ' ' HD3' ' A' ' 459' ' ' LYS . 1.1 pptp? . . . . . 0 C--O 1.248 0.994 0 CA-C-O 119.089 -0.482 . . . . 15.0 112.059 -177.425 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 . . . . . 0 N--CA 1.455 -0.218 0 CA-C-O 120.868 0.366 . . . . 15.0 110.391 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 92.0 m95 -107.58 112.39 25.1 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.526 -0.761 . . . . 15.0 109.78 177.154 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 8.9 m -110.86 149.55 30.44 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.235 -0.439 . . . . 15.0 110.494 -178.598 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -103.1 134.74 46.02 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.236 -0.438 . . . . 15.0 111.045 -179.572 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . 0.487 ' O ' ' HA ' ' A' ' 445' ' ' THR . 72.6 m-85 -128.57 124.84 36.97 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.867 -0.79 . . . . 15.0 108.867 171.549 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 0.793 ' HD3' ' C ' ' A' ' 444' ' ' LYS . 4.9 tppp? -89.79 121.99 32.45 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.996 0.427 . . . . 15.0 110.072 -177.86 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 3.3 p -89.85 150.42 22.23 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.786 -0.643 . . . . 15.0 110.12 178.011 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -48.41 -19.56 0.32 Allowed 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 114.263 1.209 . . . . 15.0 114.263 -175.216 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -74.33 -4.28 35.37 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.167 0.508 . . . . 15.0 110.381 177.436 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.2 37.38 6.71 Favored Glycine 0 N--CA 1.445 -0.705 0 CA-C-N 115.617 -0.72 . . . . 15.0 114.302 172.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.793 ' C ' ' HD3' ' A' ' 439' ' ' LYS . 29.8 mtmm -152.1 156.98 40.95 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 117.247 0.523 . . . . 15.0 112.299 173.011 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 445' ' ' THR . . . . . 0.493 ' N ' ' HD3' ' A' ' 439' ' ' LYS . 18.9 p -92.54 139.01 31.02 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.717 -0.674 . . . . 15.0 111.304 177.77 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 53.3 p90 -103.81 140.14 38.06 Favored 'General case' 0 N--CA 1.446 -0.641 0 N-CA-C 108.197 -1.038 . . . . 15.0 108.197 169.272 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -89.81 118.38 29.35 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-O 121.536 0.684 . . . . 15.0 110.712 -173.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 36.9 t80 -112.89 117.92 33.45 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 114.86 -1.063 . . . . 15.0 110.001 -175.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.5 ' HB3' ' OG1' ' A' ' 452' ' ' THR . 22.9 t-20 -90.07 129.56 36.36 Favored 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 108.525 -0.917 . . . . 15.0 108.525 174.442 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 52.5 m-80 -78.41 -46.51 19.68 Favored 'General case' 0 C--N 1.311 -1.07 0 N-CA-C 112.466 0.543 . . . . 15.0 112.466 -174.363 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 22.0 mtm180 -90.78 -1.66 57.84 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 118.409 -1.316 . . . . 15.0 113.017 -172.008 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 452' ' ' THR . . . . . 0.607 ' HG1' ' HG2' ' A' ' 454' ' ' GLU . 73.0 p -91.55 -38.54 12.44 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 122.027 0.918 . . . . 15.0 109.184 159.016 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 453' ' ' ASP . . . . . . . . . . . . . 19.6 t70 69.47 71.46 0.25 Allowed 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 112.887 -1.961 . . . . 15.0 109.946 -171.181 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . 0.607 ' HG2' ' HG1' ' A' ' 452' ' ' THR . 12.3 pt-20 -144.32 149.97 37.07 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.476 -0.784 . . . . 15.0 111.099 179.616 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 8.9 m -116.84 117.04 28.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.066 -0.515 . . . . 15.0 110.347 177.017 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 9.9 t -133.07 146.4 51.64 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 110.211 -0.292 . . . . 15.0 110.211 -179.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 90.4 m95 -92.16 -3.61 55.37 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.871 0.367 . . . . 15.0 111.024 -179.667 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -92.09 143.3 26.6 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.82 -0.437 . . . . 15.0 109.82 178.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . 0.502 ' HE2' ' O ' ' A' ' 463' ' ' LEU . 64.2 tttt -74.31 120.56 82.04 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-N 116.158 -0.474 . . . . 15.0 111.226 -173.712 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . 0.585 ' HG2' ' HB3' ' A' ' 463' ' ' LEU . 6.8 Cg_endo -51.82 144.56 34.69 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 123.93 3.086 . . . . 15.0 112.819 176.632 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 461' ' ' GLN . . . . . 0.461 ' H ' ' NE2' ' A' ' 461' ' ' GLN . 0.3 OUTLIER -64.81 -21.68 66.83 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 116.118 -0.492 . . . . 15.0 111.889 -178.869 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -88.43 -2.07 58.4 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.409 -0.359 . . . . 15.0 111.331 179.181 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . 0.585 ' HB3' ' HG2' ' A' ' 460' ' ' PRO . 54.5 tp -120.29 3.21 10.85 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 111.639 0.237 . . . . 15.0 111.639 -177.61 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . 0.46 ' HD2' ' HD3' ' A' ' 459' ' ' LYS . 13.9 mmmm . . . . . 0 C--O 1.251 1.151 0 CA-C-O 117.959 -1.02 . . . . 15.0 111.664 -175.341 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 . . . . . 0 CA--C 1.537 0.455 0 N-CA-C 113.081 0.771 . . . . 15.0 113.081 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 89.1 m95 -103.56 129.23 50.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.763 0.316 . . . . 15.0 110.821 -179.283 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 3.9 m -120.91 145.84 47.25 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.753 -0.462 . . . . 15.0 109.753 175.357 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -111.38 130.05 55.81 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.411 0.624 . . . . 15.0 111.081 -177.545 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 84.6 m-85 -125.45 144.28 50.6 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.588 -0.733 . . . . 15.0 109.63 179.015 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 0.822 ' HD2' ' N ' ' A' ' 444' ' ' LYS . 0.0 OUTLIER -105.87 136.97 44.56 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.015 0.436 . . . . 15.0 110.965 -178.855 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 14.1 p -89.84 150.21 22.33 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.637 -0.711 . . . . 15.0 109.471 172.399 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -66.02 -1.68 3.33 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 113.261 0.838 . . . . 15.0 113.261 -171.624 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 30.5 p-10 -96.02 5.32 51.44 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.98 0.419 . . . . 15.0 110.629 179.384 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.07 51.23 2.85 Favored Glycine 0 N--CA 1.452 -0.292 0 CA-C-N 115.953 -0.567 . . . . 15.0 113.016 175.338 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.822 ' N ' ' HD2' ' A' ' 439' ' ' LYS . 23.0 mtmm -150.93 130.84 13.3 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 115.023 1.49 . . . . 15.0 115.023 178.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.47 150.18 21.93 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-O 121.078 0.466 . . . . 15.0 110.62 175.605 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . 0.43 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 55.0 p90 -139.31 145.11 38.69 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.508 -0.769 . . . . 15.0 109.25 -179.717 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -102.79 120.37 40.46 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.458 0.647 . . . . 15.0 111.02 -173.563 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 39.9 t80 -110.04 122.13 46.88 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.034 -0.985 . . . . 15.0 110.33 -179.501 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.669 ' HB3' ' OG1' ' A' ' 452' ' ' THR . 23.3 t-20 -89.93 128.03 36.14 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.868 -0.79 . . . . 15.0 108.868 173.752 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 44.8 m-80 -73.18 -43.32 61.61 Favored 'General case' 0 C--N 1.314 -0.938 0 N-CA-C 112.472 0.545 . . . . 15.0 112.472 -175.173 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 65.0 mtm180 -90.18 -1.9 58.0 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 118.61 -1.236 . . . . 15.0 112.416 -172.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 452' ' ' THR . . . . . 0.869 ' HG1' ' HG2' ' A' ' 454' ' ' GLU . 68.9 p -91.55 -40.31 11.43 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.486 0.66 . . . . 15.0 109.718 159.47 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 453' ' ' ASP . . . . . . . . . . . . . 33.1 t70 75.52 37.46 0.43 Allowed 'General case' 0 C--N 1.344 0.335 0 CA-C-N 113.455 -1.702 . . . . 15.0 109.551 -172.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . 0.869 ' HG2' ' HG1' ' A' ' 452' ' ' THR . 14.0 pt-20 -117.96 137.5 52.8 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.885 -0.598 . . . . 15.0 111.015 178.535 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 17.0 p -112.22 118.66 35.92 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.963 -0.562 . . . . 15.0 110.078 176.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 9.0 t -130.4 150.06 51.79 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.983 0.42 . . . . 15.0 111.145 -176.166 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.51 ' HZ3' ' HB3' ' A' ' 444' ' ' LYS . 56.8 m95 -90.58 -2.22 57.88 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.279 0.561 . . . . 15.0 109.643 177.664 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -93.67 141.01 28.97 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.307 -0.861 . . . . 15.0 109.399 -176.012 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . 0.724 ' HD3' ' HA ' ' A' ' 464' ' ' LYS . 19.9 ttmm -75.69 119.02 75.21 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-O 120.968 0.413 . . . . 15.0 111.934 -173.431 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 459' ' ' LYS . 15.7 Cg_exo -69.1 149.3 70.95 Favored 'Trans proline' 0 C--N 1.343 0.258 0 C-N-CA 123.021 2.481 . . . . 15.0 111.306 175.242 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 59.3 tp60 -61.26 -32.46 72.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.52 -0.309 . . . . 15.0 111.525 -177.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -73.05 -11.77 60.67 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.996 0.427 . . . . 15.0 111.06 178.608 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 22.1 tp -119.99 22.54 11.44 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.137 0.494 . . . . 15.0 109.892 -179.036 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . 0.724 ' HA ' ' HD3' ' A' ' 459' ' ' LYS . 51.4 tptt . . . . . 0 C--O 1.251 1.155 0 CA-C-N 115.599 -0.728 . . . . 15.0 110.674 177.584 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 434' ' ' GLU . . . . . 0.442 ' O ' ' HA ' ' A' ' 449' ' ' ASN . 13.5 pt-20 . . . . . 0 CA--C 1.52 -0.175 0 CA-C-O 121.101 0.477 . . . . 15.0 110.746 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 94.0 m95 -107.02 124.19 49.28 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.518 -0.765 . . . . 15.0 109.837 175.325 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 2.8 m -122.22 144.68 48.82 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.217 -0.66 . . . . 15.0 109.217 174.282 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -95.77 150.11 20.76 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 121.48 0.657 . . . . 15.0 109.362 178.276 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -137.24 150.12 47.63 Favored 'General case' 0 C--N 1.305 -1.342 0 CA-C-N 114.702 -1.136 . . . . 15.0 108.129 178.465 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 0.902 ' HD2' ' H ' ' A' ' 444' ' ' LYS . 0.1 OUTLIER -119.25 136.18 54.34 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.007 0.432 . . . . 15.0 111.618 -173.585 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 440' ' ' THR . . . . . 0.539 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 21.9 p -89.81 150.27 22.32 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.671 -0.695 . . . . 15.0 109.462 172.041 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -58.12 -14.96 7.86 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 113.572 0.953 . . . . 15.0 113.572 -172.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -89.78 0.63 56.89 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 122.078 -0.389 . . . . 15.0 111.481 -179.307 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.91 73.58 1.27 Allowed Glycine 0 C--O 1.23 -0.112 0 C-N-CA 120.757 -0.735 . . . . 15.0 112.383 177.09 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.902 ' H ' ' HD2' ' A' ' 439' ' ' LYS . 37.9 mttp -154.99 129.45 9.1 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 115.641 1.719 . . . . 15.0 115.641 -176.379 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 5.4 p -90.21 138.22 31.7 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 115.642 -0.708 . . . . 15.0 111.615 176.34 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 50.8 p90 -146.22 138.67 25.32 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 108.666 -0.864 . . . . 15.0 108.666 170.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 53.9 m-85 -105.26 126.31 51.96 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.376 0.607 . . . . 15.0 111.393 -170.122 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . 0.727 ' CD2' ' HB3' ' A' ' 455' ' ' SER . 19.0 t80 -111.92 124.43 52.35 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.024 -0.989 . . . . 15.0 109.734 -177.204 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.695 ' HB3' ' OG1' ' A' ' 452' ' ' THR . 20.4 t-20 -96.79 125.71 41.43 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 108.496 -0.927 . . . . 15.0 108.496 174.43 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 59.5 m-80 -74.6 -43.2 56.71 Favored 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 112.551 0.575 . . . . 15.0 112.551 -172.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 61.5 mtm180 -89.84 -2.05 58.12 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 118.994 -1.082 . . . . 15.0 112.604 -173.631 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 452' ' ' THR . . . . . 0.958 ' HG1' ' HG2' ' A' ' 454' ' ' GLU . 77.2 p -91.16 -35.37 14.59 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.503 0.668 . . . . 15.0 109.207 159.211 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 453' ' ' ASP . . . . . . . . . . . . . 35.5 t70 76.17 25.14 1.07 Allowed 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 113.363 -1.744 . . . . 15.0 110.011 -175.186 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . 0.958 ' HG2' ' HG1' ' A' ' 452' ' ' THR . 10.5 pt-20 -114.35 144.94 42.46 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.164 0.507 . . . . 15.0 111.18 -177.443 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 455' ' ' SER . . . . . 0.727 ' HB3' ' CD2' ' A' ' 448' ' ' TYR . 22.1 p -117.05 126.87 53.52 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.796 -0.638 . . . . 15.0 110.278 176.843 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 12.5 t -128.02 150.08 50.08 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.017 0.437 . . . . 15.0 110.688 -179.598 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 74.9 m95 -92.39 -1.43 57.03 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.317 0.58 . . . . 15.0 110.152 178.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -90.57 148.42 22.7 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.574 -0.739 . . . . 15.0 109.651 178.523 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 59.8 tttp -80.81 114.54 49.1 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-N 116.559 -0.291 . . . . 15.0 110.232 -179.234 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_exo -59.57 148.63 86.52 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 123.668 2.912 . . . . 15.0 113.033 -176.37 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 461' ' ' GLN . . . . . 0.452 ' HA ' ' HB2' ' A' ' 464' ' ' LYS . 9.5 mm100 -63.52 -30.68 71.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.833 -0.621 . . . . 15.0 111.693 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -78.6 -6.73 56.4 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.128 0.49 . . . . 15.0 110.825 178.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . 0.414 ' O ' ' HG ' ' A' ' 463' ' ' LEU . 34.4 tp -120.0 9.65 11.27 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.694 -0.684 . . . . 15.0 109.317 178.171 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . 0.452 ' HB2' ' HA ' ' A' ' 461' ' ' GLN . 16.3 tptp . . . . . 0 C--O 1.248 1.002 0 CA-C-N 115.627 -0.715 . . . . 15.0 111.342 -171.349 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 434' ' ' GLU . . . . . 0.467 ' O ' ' HA ' ' A' ' 449' ' ' ASN . 56.9 mm-40 . . . . . 0 CA--C 1.532 0.26 0 N-CA-C 113.35 0.87 . . . . 15.0 113.35 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.412 ' CD2' ' HB2' ' A' ' 449' ' ' ASN . 79.0 m95 -101.64 126.95 48.56 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.981 0.42 . . . . 15.0 111.378 -172.3 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 6.4 m -118.77 148.0 43.29 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.299 -0.41 . . . . 15.0 110.026 176.002 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . 0.426 ' HG2' ' CE1' ' A' ' 447' ' ' TYR . 46.3 mt-10 -91.63 132.81 36.07 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.44 -0.345 . . . . 15.0 111.32 -179.279 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . 0.489 ' O ' ' HA ' ' A' ' 445' ' ' THR . 87.9 m-85 -129.6 128.65 43.11 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.342 -0.614 . . . . 15.0 109.342 172.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 0.79 ' HD3' ' C ' ' A' ' 444' ' ' LYS . 4.4 tppp? -96.64 131.75 42.98 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.139 0.495 . . . . 15.0 111.041 -174.116 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 9.0 p -89.93 150.55 22.12 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.686 -0.688 . . . . 15.0 109.381 174.639 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -53.66 -16.06 1.47 Allowed 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 113.931 1.085 . . . . 15.0 113.931 -171.738 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . 0.441 ' OD2' ' HE2' ' A' ' 444' ' ' LYS . 9.3 p-10 -81.15 0.75 34.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.201 0.524 . . . . 15.0 110.257 177.72 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . 0.479 ' C ' ' HD2' ' A' ' 439' ' ' LYS . . . 90.24 40.12 5.86 Favored Glycine 0 N--CA 1.449 -0.498 0 CA-C-N 115.574 -0.739 . . . . 15.0 114.323 170.303 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.79 ' C ' ' HD3' ' A' ' 439' ' ' LYS . 35.0 mtmt -148.69 150.76 33.74 Favored 'General case' 0 N--CA 1.468 0.475 0 N-CA-C 113.239 0.829 . . . . 15.0 113.239 173.472 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 445' ' ' THR . . . . . 0.511 ' N ' ' HD3' ' A' ' 439' ' ' LYS . 2.0 p -97.33 141.97 29.77 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.497 -0.774 . . . . 15.0 112.237 -178.752 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 53.3 p90 -111.5 143.62 42.06 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.759 -0.83 . . . . 15.0 108.759 169.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . 0.426 ' CE1' ' HG2' ' A' ' 437' ' ' GLU . 42.3 m-85 -90.01 118.25 29.42 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.894 0.378 . . . . 15.0 110.646 -174.566 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 32.9 t80 -114.12 119.56 37.53 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.596 -0.729 . . . . 15.0 110.452 -175.476 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.578 ' HB3' ' OG1' ' A' ' 452' ' ' THR . 35.0 t-20 -94.5 133.62 37.92 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.697 -0.853 . . . . 15.0 108.697 175.388 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 50.7 m-80 -73.45 -53.94 9.47 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 112.964 0.727 . . . . 15.0 112.964 -174.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 38.8 mtm180 -90.17 -1.01 57.89 Favored 'General case' 0 N--CA 1.462 0.131 0 C-N-CA 118.729 -1.189 . . . . 15.0 112.469 -171.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 452' ' ' THR . . . . . 0.879 ' HG1' ' HG2' ' A' ' 454' ' ' GLU . 71.4 p -91.14 -36.98 13.66 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.725 -0.843 . . . . 15.0 108.725 159.083 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 453' ' ' ASP . . . . . . . . . . . . . 13.5 t70 68.47 45.95 1.08 Allowed 'General case' 0 C--N 1.338 0.099 0 CA-C-N 113.76 -1.564 . . . . 15.0 110.025 -178.163 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . 0.879 ' HG2' ' HG1' ' A' ' 452' ' ' THR . 13.1 pt-20 -129.88 144.82 51.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.523 -0.762 . . . . 15.0 110.747 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 48.5 p -112.18 123.54 50.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.972 -0.558 . . . . 15.0 110.544 178.479 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 10.0 t -119.86 150.11 40.98 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.084 0.469 . . . . 15.0 110.313 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 88.1 m95 -100.54 -1.44 35.57 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.967 -0.56 . . . . 15.0 110.377 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -109.82 150.84 27.79 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.828 -0.624 . . . . 15.0 109.364 175.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -59.24 130.18 86.93 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.345 0.593 . . . . 15.0 112.599 -175.222 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -61.09 150.25 85.22 Favored 'Trans proline' 0 C--O 1.234 0.281 0 C-N-CA 123.56 2.84 . . . . 15.0 111.969 174.669 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 461' ' ' GLN . . . . . 0.484 ' OE1' ' HE3' ' A' ' 464' ' ' LYS . 18.6 mm-40 -56.07 -32.55 64.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 15.0 111.66 -177.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -80.41 -10.16 59.75 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.321 -0.4 . . . . 15.0 111.835 -179.416 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 29.5 tp -106.17 0.2 25.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.121 0.486 . . . . 15.0 110.666 -177.186 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . 0.484 ' HE3' ' OE1' ' A' ' 461' ' ' GLN . 2.2 pptp? . . . . . 0 C--O 1.248 0.983 0 CA-C-O 118.463 -0.78 . . . . 15.0 110.037 178.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.714 0 N-CA-C 111.663 -0.575 . . . . 15.0 111.663 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -85.07 171.56 11.96 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.205 0.526 . . . . 15.0 111.578 -177.015 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 9.3 p -134.55 143.82 47.62 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.556 -0.747 . . . . 15.0 110.873 178.006 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . 57.09 86.93 0.07 Allowed 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 113.491 0.923 . . . . 15.0 113.491 177.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . 0.897 HG23 HD12 ' A' ' 463' ' ' LEU . 76.3 t -103.29 96.56 4.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 N-CA-C 109.635 -0.505 . . . . 15.0 109.635 171.513 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 95.6 p 51.94 -120.79 1.72 Allowed 'General case' 0 N--CA 1.462 0.144 0 CA-C-O 122.036 0.922 . . . . 15.0 111.826 175.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -46.53 -27.64 1.18 Allowed 'General case' 0 C--N 1.291 -1.959 0 CA-C-N 113.251 -1.795 . . . . 15.0 113.357 177.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 92.5 m95 -100.35 128.96 46.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.907 0.384 . . . . 15.0 111.051 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 4.0 m -144.24 145.44 32.05 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 109.388 -0.597 . . . . 15.0 109.388 172.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . 0.535 ' HB3' ' CD1' ' A' ' 447' ' ' TYR . 1.4 pm0 -122.41 144.05 49.29 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.254 0.549 . . . . 15.0 111.321 -179.304 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . 0.428 ' O ' ' HA ' ' A' ' 445' ' ' THR . 58.2 m-85 -124.91 141.58 52.03 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.517 -0.765 . . . . 15.0 108.984 176.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 0.805 ' HD3' ' C ' ' A' ' 444' ' ' LYS . 5.2 tppp? -89.94 128.96 36.34 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.096 0.474 . . . . 15.0 110.016 179.344 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 26.8 p -89.64 150.71 22.25 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.464 -0.789 . . . . 15.0 109.896 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -44.89 -29.89 0.9 Allowed 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 113.622 0.971 . . . . 15.0 113.622 -176.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -73.96 -0.44 16.21 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 120.956 0.407 . . . . 15.0 111.099 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . 0.481 ' C ' ' HD2' ' A' ' 439' ' ' LYS . . . 90.24 37.61 6.62 Favored Glycine 0 N--CA 1.445 -0.712 0 CA-C-N 115.872 -0.604 . . . . 15.0 113.959 171.456 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.805 ' C ' ' HD3' ' A' ' 439' ' ' LYS . 39.0 mttp -148.06 150.69 34.38 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 113.2 0.815 . . . . 15.0 113.2 176.527 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 445' ' ' THR . . . . . 0.51 ' N ' ' HD3' ' A' ' 439' ' ' LYS . 1.3 p -93.09 141.19 28.69 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.613 -0.721 . . . . 15.0 112.16 -179.206 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 44.4 p90 -113.99 133.49 55.46 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.018 -0.734 . . . . 15.0 109.018 170.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . 0.535 ' CD1' ' HB3' ' A' ' 437' ' ' GLU . 55.3 m-85 -97.15 116.85 30.11 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.321 -0.854 . . . . 15.0 110.345 -172.759 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -110.62 123.67 50.42 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.216 -0.902 . . . . 15.0 110.183 -173.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.555 ' HB3' ' OG1' ' A' ' 452' ' ' THR . 23.8 t-20 -99.49 125.38 45.22 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 108.492 -0.929 . . . . 15.0 108.492 171.75 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 45.8 m-80 -74.62 -45.08 47.31 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 113.134 0.79 . . . . 15.0 113.134 -171.307 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 15.2 mtm180 -90.31 -1.76 57.95 Favored 'General case' 0 C--N 1.333 -0.138 0 C-N-CA 118.249 -1.38 . . . . 15.0 112.334 -173.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 452' ' ' THR . . . . . 0.555 ' OG1' ' HB3' ' A' ' 449' ' ' ASN . 69.2 p -91.46 -36.54 13.7 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.268 -0.641 . . . . 15.0 109.268 158.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 453' ' ' ASP . . . . . . . . . . . . . 32.4 t70 78.57 20.94 0.81 Allowed 'General case' 0 C--N 1.343 0.317 0 CA-C-N 113.71 -1.586 . . . . 15.0 109.804 -174.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . 0.506 ' HG2' ' HG1' ' A' ' 452' ' ' THR . 10.5 pt-20 -94.54 149.93 20.75 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.158 -0.474 . . . . 15.0 110.786 -175.077 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 13.0 m -124.62 116.14 21.93 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.001 -0.545 . . . . 15.0 109.932 176.065 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 11.2 t -127.49 149.94 49.89 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.413 -0.358 . . . . 15.0 110.241 -177.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 81.3 m95 -94.29 6.5 48.47 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.03 0.443 . . . . 15.0 110.784 -177.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -102.92 140.11 37.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.968 -0.56 . . . . 15.0 109.917 176.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . 1.007 ' HE3' ' HG ' ' A' ' 463' ' ' LEU . 45.0 tptt -69.78 119.0 68.46 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 115.716 -0.675 . . . . 15.0 110.29 -177.583 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . 0.671 ' HG2' ' HB3' ' A' ' 463' ' ' LEU . 5.7 Cg_endo -51.92 143.96 37.78 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 123.4 2.733 . . . . 15.0 112.245 176.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . 0.426 ' H ' ' HG3' ' A' ' 461' ' ' GLN . 1.1 pp0? -74.19 -10.46 59.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.991 0.424 . . . . 15.0 112.116 -176.508 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -86.3 -11.22 52.81 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.207 0.527 . . . . 15.0 110.409 171.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . 1.007 ' HG ' ' HE3' ' A' ' 459' ' ' LYS . 29.5 tp -119.98 0.34 10.76 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.532 -0.758 . . . . 15.0 110.323 -175.773 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . 0.449 ' CE ' ' HB3' ' A' ' 459' ' ' LYS . 40.5 ttmt . . . . . 0 C--O 1.25 1.122 0 CA-C-O 118.338 -0.839 . . . . 15.0 109.91 -178.291 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.637 0 N-CA-C 112.185 -0.366 . . . . 15.0 112.185 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -95.21 113.24 24.9 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.997 -0.372 . . . . 15.0 109.997 175.374 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 6.7 m -83.69 -19.21 35.71 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.124 -0.489 . . . . 15.0 111.533 -175.434 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -173.83 122.43 0.33 Allowed 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.436 -0.802 . . . . 15.0 110.525 -178.06 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 88.5 t 72.48 135.91 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 O-C-N 123.766 0.666 . . . . 15.0 111.27 177.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 20.0 m 72.62 15.59 4.92 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-O 122.085 0.945 . . . . 15.0 109.566 -178.191 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -89.95 -12.18 39.54 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 114.141 -1.39 . . . . 15.0 110.483 -179.228 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 70.2 m95 -94.26 118.42 31.56 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.572 -0.74 . . . . 15.0 109.567 176.316 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 2.6 m -115.35 144.91 43.07 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 116.259 -0.428 . . . . 15.0 110.523 -177.199 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -96.01 132.3 41.5 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.076 0.465 . . . . 15.0 110.756 -179.061 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . 0.52 ' O ' ' HA ' ' A' ' 445' ' ' THR . 94.1 m-85 -129.88 131.81 46.2 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.591 -0.731 . . . . 15.0 109.233 173.624 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 0.796 ' HD3' ' C ' ' A' ' 444' ' ' LYS . 4.2 tppp? -92.15 130.53 37.85 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.186 0.517 . . . . 15.0 110.811 -174.775 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 8.2 p -89.62 150.79 22.22 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.19 -0.914 . . . . 15.0 109.822 178.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -46.34 -26.34 0.81 Allowed 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 113.649 0.981 . . . . 15.0 113.649 -175.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -75.06 -5.23 43.0 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 121.243 0.544 . . . . 15.0 110.529 179.008 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . 0.572 ' O ' ' HD3' ' A' ' 444' ' ' LYS . . . 90.26 41.28 5.55 Favored Glycine 0 N--CA 1.444 -0.807 0 CA-C-N 115.573 -0.74 . . . . 15.0 114.291 174.241 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.796 ' C ' ' HD3' ' A' ' 439' ' ' LYS . 34.2 mmtm -141.8 150.51 41.77 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 118.013 0.906 . . . . 15.0 112.489 172.191 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 445' ' ' THR . . . . . 0.542 ' N ' ' HD3' ' A' ' 439' ' ' LYS . 22.2 p -92.78 135.22 34.31 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 121.116 0.484 . . . . 15.0 111.508 177.114 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 55.5 p90 -103.72 147.67 26.98 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 108.695 -0.854 . . . . 15.0 108.695 172.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -94.64 112.17 23.92 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 121.45 0.643 . . . . 15.0 110.404 -174.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 52.8 t80 -107.71 122.04 45.92 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.134 -0.939 . . . . 15.0 110.967 -176.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.582 ' HB3' ' OG1' ' A' ' 452' ' ' THR . 26.6 t-20 -92.16 137.08 32.66 Favored 'General case' 0 CA--C 1.513 -0.468 0 N-CA-C 109.153 -0.684 . . . . 15.0 109.153 173.256 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 25.8 m-80 -77.11 -45.93 25.27 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 113.258 0.836 . . . . 15.0 113.258 -173.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 33.5 mtm105 -90.26 -1.72 57.95 Favored 'General case' 0 C--O 1.233 0.194 0 C-N-CA 118.239 -1.384 . . . . 15.0 112.142 -172.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 452' ' ' THR . . . . . 0.582 ' OG1' ' HB3' ' A' ' 449' ' ' ASN . 45.3 p -91.83 -39.12 11.94 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.351 0.595 . . . . 15.0 110.231 159.177 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 453' ' ' ASP . . . . . . . . . . . . . 32.9 t70 69.44 37.9 1.91 Allowed 'General case' 0 C--N 1.341 0.204 0 CA-C-N 113.979 -1.464 . . . . 15.0 108.736 -169.138 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -100.17 147.32 25.83 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.666 -0.697 . . . . 15.0 110.815 -176.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 35.1 t -119.01 110.57 17.26 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.962 -0.563 . . . . 15.0 109.731 175.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 14.8 t -137.63 150.06 47.1 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.216 -0.447 . . . . 15.0 110.016 -178.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 69.8 m95 -98.12 9.77 42.1 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.19 0.519 . . . . 15.0 110.118 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -101.12 121.18 41.35 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.194 -1.039 . . . . 15.0 108.194 -177.347 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . 0.509 ' HD3' ' HA ' ' A' ' 464' ' ' LYS . 28.8 mttm -58.42 120.53 45.22 Favored Pre-proline 0 N--CA 1.465 0.286 0 N-CA-C 113.321 0.859 . . . . 15.0 113.321 -173.822 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . 0.836 ' HG2' ' HB3' ' A' ' 463' ' ' LEU . 19.5 Cg_endo -59.59 150.15 77.96 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 123.35 2.7 . . . . 15.0 111.328 171.182 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -61.93 -12.7 19.41 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.657 0.614 . . . . 15.0 112.657 -176.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -96.72 -21.68 17.43 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.773 0.321 . . . . 15.0 111.165 178.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . 0.836 ' HB3' ' HG2' ' A' ' 460' ' ' PRO . 35.8 tp -120.22 21.96 11.55 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.146 0.498 . . . . 15.0 110.339 -174.588 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . 0.509 ' HA ' ' HD3' ' A' ' 459' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.934 0 CA-C-O 118.355 -0.831 . . . . 15.0 111.629 -176.669 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.775 0 N-CA-C 112.074 -0.41 . . . . 15.0 112.074 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -86.7 136.39 33.04 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 110.086 -0.338 . . . . 15.0 110.086 178.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 9.1 t -134.02 25.14 3.93 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 120.948 0.404 . . . . 15.0 110.727 -177.023 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . 0.442 ' O ' ' HB ' ' A' ' 432' ' ' VAL . . . -158.21 119.16 3.43 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 116.381 -0.372 . . . . 15.0 110.997 -178.005 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . 0.442 ' HB ' ' O ' ' A' ' 431' ' ' ALA . 86.9 t 83.66 139.35 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.449 0 CA-C-N 115.127 -0.942 . . . . 15.0 111.442 174.772 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 37.6 t 76.05 13.74 2.65 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 115.098 -0.955 . . . . 15.0 110.361 -179.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -90.15 -13.57 35.38 Favored 'General case' 0 C--N 1.309 -1.166 0 CA-C-N 114.407 -1.27 . . . . 15.0 109.912 177.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 86.9 m95 -99.41 139.62 34.8 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.076 -0.965 . . . . 15.0 109.786 178.234 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 2.7 m -128.88 144.48 51.19 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 109.93 -0.396 . . . . 15.0 109.93 177.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -103.93 118.7 37.3 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.603 -0.517 . . . . 15.0 109.603 -178.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 -114.19 140.64 48.37 Favored 'General case' 0 C--N 1.31 -1.143 0 CA-C-N 115.841 -0.618 . . . . 15.0 110.282 -179.172 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 0.86 ' HD2' ' N ' ' A' ' 444' ' ' LYS . 3.8 tppp? -101.5 133.08 46.7 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.873 0.368 . . . . 15.0 110.225 176.624 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 440' ' ' THR . . . . . 0.451 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 23.9 p -89.63 150.26 22.45 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.072 -0.513 . . . . 15.0 109.877 175.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -50.82 -28.28 9.08 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 113.256 0.836 . . . . 15.0 113.256 -175.253 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -82.43 3.8 26.69 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.699 0.285 . . . . 15.0 111.31 -176.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.21 65.09 1.22 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 121.187 -0.53 . . . . 15.0 112.925 174.036 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.86 ' N ' ' HD2' ' A' ' 439' ' ' LYS . 44.8 mttt -156.02 131.54 9.58 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 114.757 1.392 . . . . 15.0 114.757 -178.063 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 445' ' ' THR . . . . . 0.571 HG22 ' HE3' ' A' ' 439' ' ' LYS . 0.4 OUTLIER -97.4 144.09 27.49 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-O 120.683 0.278 . . . . 15.0 111.028 176.923 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 25.4 p90 -146.99 150.13 34.52 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.208 -0.664 . . . . 15.0 109.208 -179.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 74.8 m-85 -103.86 120.31 40.72 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.445 0.64 . . . . 15.0 111.235 -173.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . 0.441 ' CE1' ' HA ' ' A' ' 453' ' ' ASP . 48.0 t80 -112.61 123.78 51.07 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.046 -0.979 . . . . 15.0 110.321 -178.618 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.677 ' HB3' ' OG1' ' A' ' 452' ' ' THR . 23.7 t-20 -89.84 126.61 35.76 Favored 'General case' 0 CA--C 1.507 -0.691 0 N-CA-C 108.641 -0.874 . . . . 15.0 108.641 173.213 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 -71.99 -42.95 65.85 Favored 'General case' 0 C--N 1.314 -0.974 0 N-CA-C 112.491 0.552 . . . . 15.0 112.491 -173.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 49.0 mtm180 -90.49 -1.74 57.9 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 118.515 -1.274 . . . . 15.0 112.53 -173.332 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 452' ' ' THR . . . . . 0.787 ' HG1' ' HG2' ' A' ' 454' ' ' GLU . 44.1 p -91.82 -40.25 11.31 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.383 0.611 . . . . 15.0 109.687 159.761 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 453' ' ' ASP . . . . . 0.441 ' HA ' ' CE1' ' A' ' 448' ' ' TYR . 31.6 t70 72.74 34.4 1.18 Allowed 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 113.49 -1.686 . . . . 15.0 109.189 -168.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . 0.787 ' HG2' ' HG1' ' A' ' 452' ' ' THR . 9.9 pt-20 -111.06 136.73 49.65 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.944 -0.571 . . . . 15.0 110.742 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 14.1 p -106.84 127.37 53.35 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.917 -0.583 . . . . 15.0 110.334 178.168 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 14.4 t -135.2 150.06 50.04 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.063 0.459 . . . . 15.0 110.85 -178.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 75.0 m95 -89.75 -1.94 58.13 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.129 0.49 . . . . 15.0 110.205 177.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -84.39 141.25 30.99 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.437 -0.801 . . . . 15.0 109.234 173.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . 0.506 ' HE2' ' O ' ' A' ' 463' ' ' LEU . 75.0 tttt -85.87 120.28 72.57 Favored Pre-proline 0 C--N 1.318 -0.763 0 N-CA-C 110.0 -0.37 . . . . 15.0 110.0 -177.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . 0.42 ' HD2' ' HA ' ' A' ' 459' ' ' LYS . 10.5 Cg_endo -54.07 141.55 68.34 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.927 2.418 . . . . 15.0 111.318 178.55 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . 0.523 ' HA ' ' HB2' ' A' ' 464' ' ' LYS . 76.0 mt-30 -68.45 -16.86 64.05 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.768 0.318 . . . . 15.0 111.366 -175.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . 0.49 ' OE2' ' HB2' ' A' ' 463' ' ' LEU . 0.1 OUTLIER -84.19 -16.2 44.25 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.249 -0.432 . . . . 15.0 111.088 179.639 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . 0.506 ' O ' ' HE2' ' A' ' 459' ' ' LYS . 18.7 tp -120.04 0.33 10.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.007 -0.542 . . . . 15.0 110.386 177.654 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . 0.523 ' HB2' ' HA ' ' A' ' 461' ' ' GLN . 3.7 tttp . . . . . 0 C--O 1.244 0.801 0 CA-C-O 118.441 -0.79 . . . . 15.0 111.118 -175.461 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.535 0 N-CA-C 112.117 -0.393 . . . . 15.0 112.117 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -68.65 120.52 14.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.709 0.29 . . . . 15.0 110.411 177.02 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 430' ' ' THR . . . . . 0.482 ' HG1' ' CD ' ' A' ' 437' ' ' GLU . 9.3 t -140.83 134.27 29.89 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.196 -0.456 . . . . 15.0 110.86 -176.586 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . 66.83 106.42 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 115.486 -0.779 . . . . 15.0 112.448 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . 0.855 HG22 HD11 ' A' ' 463' ' ' LEU . 35.7 m -140.5 124.37 17.71 Favored 'Isoleucine or valine' 0 C--O 1.235 0.331 0 CA-C-O 120.994 0.426 . . . . 15.0 110.524 177.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 8.0 t 65.23 -144.52 0.22 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.709 -0.678 . . . . 15.0 111.213 172.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . 0.46 ' O ' ' HA ' ' A' ' 449' ' ' ASN . 1.3 pm0 -56.4 -26.05 51.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.892 -0.594 . . . . 15.0 112.478 -177.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.442 ' CE3' ' HG3' ' A' ' 460' ' ' PRO . 93.8 m95 -95.78 102.11 13.87 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.371 0.605 . . . . 15.0 110.223 179.112 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 4.0 m -105.24 146.95 28.6 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.7 -0.682 . . . . 15.0 110.401 -177.223 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . 0.561 ' HG3' HD22 ' A' ' 463' ' ' LEU . 47.9 mt-10 -108.92 122.74 47.86 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.011 -0.541 . . . . 15.0 110.862 -179.375 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . 0.491 ' O ' ' HA ' ' A' ' 445' ' ' THR . 98.0 m-85 -117.62 135.26 54.1 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.409 -0.814 . . . . 15.0 109.026 176.347 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 0.705 ' HD3' ' C ' ' A' ' 444' ' ' LYS . 0.0 OUTLIER -89.71 128.1 36.05 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.321 0.582 . . . . 15.0 110.227 -176.263 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 19.7 p -89.84 150.45 22.23 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.263 -0.881 . . . . 15.0 109.428 177.542 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -51.66 -18.33 1.15 Allowed 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 113.483 0.92 . . . . 15.0 113.483 -175.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -84.12 5.28 26.73 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-O 121.188 0.518 . . . . 15.0 110.826 177.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . 0.519 ' O ' ' HG3' ' A' ' 444' ' ' LYS . . . 90.36 37.08 6.74 Favored Glycine 0 N--CA 1.452 -0.267 0 N-CA-C 115.97 1.148 . . . . 15.0 115.97 164.757 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.705 ' C ' ' HD3' ' A' ' 439' ' ' LYS . 2.5 mptt -153.39 166.97 30.96 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 117.522 0.661 . . . . 15.0 111.424 169.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 445' ' ' THR . . . . . 0.499 ' HB ' ' HB3' ' A' ' 437' ' ' GLU . 15.2 p -95.26 139.09 32.07 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.792 -0.64 . . . . 15.0 111.343 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . 0.445 ' CE1' ' HB2' ' A' ' 438' ' ' TYR . 31.8 p90 -106.4 142.38 36.16 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.803 -0.814 . . . . 15.0 108.803 173.46 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . 0.466 ' CZ ' ' HG3' ' A' ' 459' ' ' LYS . 38.4 m-85 -91.97 116.92 29.33 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 121.245 0.545 . . . . 15.0 110.802 -169.596 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . 0.507 ' HD1' ' HB3' ' A' ' 455' ' ' SER . 31.8 t80 -124.85 121.8 35.57 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.394 -0.821 . . . . 15.0 110.631 -172.348 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.631 ' HB3' ' OG1' ' A' ' 452' ' ' THR . 41.5 t-20 -93.15 123.62 36.54 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 108.128 -1.064 . . . . 15.0 108.128 173.294 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 54.2 m-80 -74.36 -42.36 59.47 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 112.695 0.628 . . . . 15.0 112.695 -171.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 39.8 mtm-85 -90.24 -1.71 57.96 Favored 'General case' 0 C--N 1.333 -0.114 0 C-N-CA 118.073 -1.451 . . . . 15.0 112.24 -174.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 452' ' ' THR . . . . . 0.631 ' OG1' ' HB3' ' A' ' 449' ' ' ASN . 76.2 p -91.63 -37.43 13.07 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.282 0.563 . . . . 15.0 109.484 159.423 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 453' ' ' ASP . . . . . . . . . . . . . 19.2 t70 78.09 24.65 0.67 Allowed 'General case' 0 C--N 1.343 0.301 0 CA-C-N 113.653 -1.612 . . . . 15.0 109.843 -175.01 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . 0.485 ' HG2' ' HG1' ' A' ' 452' ' ' THR . 10.6 pt-20 -97.73 147.51 24.29 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 121.019 0.437 . . . . 15.0 110.91 -176.812 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 455' ' ' SER . . . . . 0.507 ' HB3' ' HD1' ' A' ' 448' ' ' TYR . 9.1 p -123.16 123.05 39.93 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.873 -0.603 . . . . 15.0 110.282 178.83 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 9.7 t -135.74 150.18 49.43 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.196 -0.456 . . . . 15.0 110.261 -178.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 91.2 m95 -95.99 1.75 52.95 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.379 0.609 . . . . 15.0 109.793 176.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -93.56 120.47 33.87 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.152 -0.931 . . . . 15.0 109.485 177.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . 0.466 ' HG3' ' CZ ' ' A' ' 447' ' ' TYR . 19.2 tttm -68.02 113.33 14.26 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.566 -0.288 . . . . 15.0 111.062 -173.173 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . 1.044 ' HG2' ' HB3' ' A' ' 463' ' ' LEU . 1.5 Cg_endo -50.0 149.98 10.75 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 124.039 3.159 . . . . 15.0 113.309 178.679 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -60.57 -31.17 70.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 15.0 111.354 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -81.85 -18.03 45.3 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.125 -0.489 . . . . 15.0 111.21 179.222 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . 1.044 ' HB3' ' HG2' ' A' ' 460' ' ' PRO . 48.4 tp -120.12 28.74 7.89 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.982 -0.553 . . . . 15.0 110.073 -176.04 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 24.3 mmtm . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.282 -0.866 . . . . 15.0 110.695 177.487 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.74 0 N-CA-C 111.894 -0.482 . . . . 15.0 111.894 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -68.1 130.86 44.22 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.815 0.341 . . . . 15.0 110.735 178.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 9.7 t -96.49 151.08 19.92 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.004 -0.544 . . . . 15.0 110.398 -178.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . 58.91 70.09 0.68 Allowed 'General case' 0 N--CA 1.465 0.321 0 O-C-N 123.673 0.608 . . . . 15.0 111.261 -179.036 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 67.5 t -139.92 127.77 25.31 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.416 0 CA-C-N 115.959 -0.564 . . . . 15.0 109.746 -176.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 46.4 m 77.22 20.54 1.17 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.229 -0.896 . . . . 15.0 111.352 174.313 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -90.11 -4.58 57.23 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.324 -0.853 . . . . 15.0 109.731 173.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 58.8 m95 -102.27 118.62 37.26 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.276 -0.875 . . . . 15.0 109.762 176.37 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 10.3 m -101.02 148.4 25.09 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.935 -0.394 . . . . 15.0 109.935 179.446 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . 0.445 ' HB3' HG21 ' A' ' 445' ' ' THR . 44.2 mt-10 -102.22 128.22 48.84 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.209 0.528 . . . . 15.0 111.094 -179.531 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . 0.464 ' O ' ' HA ' ' A' ' 445' ' ' THR . 85.7 m-85 -123.6 125.37 44.72 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.616 -0.72 . . . . 15.0 109.304 173.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 0.807 ' HD3' ' C ' ' A' ' 444' ' ' LYS . 4.0 tppp? -89.91 131.95 35.56 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.154 0.502 . . . . 15.0 110.867 -175.615 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 20.3 p -89.9 150.56 22.14 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.327 -0.851 . . . . 15.0 109.734 176.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -46.03 -31.67 2.41 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 113.191 0.811 . . . . 15.0 113.191 -177.282 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -77.82 3.5 14.16 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 121.026 0.441 . . . . 15.0 111.219 -178.525 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.23 41.44 5.52 Favored Glycine 0 CA--C 1.519 0.33 0 N-CA-C 115.521 0.968 . . . . 15.0 115.521 166.079 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.807 ' C ' ' HD3' ' A' ' 439' ' ' LYS . 8.0 mptt -150.36 155.93 40.55 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 117.839 0.819 . . . . 15.0 112.048 170.625 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 445' ' ' THR . . . . . 0.605 HG22 ' HE3' ' A' ' 439' ' ' LYS . 6.6 p -94.47 137.66 33.34 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-O 121.268 0.556 . . . . 15.0 111.409 179.317 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 55.2 p90 -102.34 137.61 40.36 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 107.891 -1.152 . . . . 15.0 107.891 171.071 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 63.8 m-85 -89.84 113.09 24.62 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 121.639 0.733 . . . . 15.0 110.882 -171.073 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . 0.475 ' HA ' ' O ' ' A' ' 454' ' ' GLU . 52.3 t80 -108.49 123.97 49.71 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 114.666 -1.152 . . . . 15.0 110.687 -176.624 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.498 ' HB3' ' HG2' ' A' ' 454' ' ' GLU . 24.5 t-20 -89.79 132.12 35.39 Favored 'General case' 0 CA--C 1.507 -0.684 0 N-CA-C 108.773 -0.825 . . . . 15.0 108.773 174.625 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 41.8 m-80 -75.76 -50.14 16.12 Favored 'General case' 0 C--N 1.313 -0.998 0 N-CA-C 112.874 0.694 . . . . 15.0 112.874 -172.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 60.5 mtm180 -90.26 -1.66 57.95 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 118.56 -1.256 . . . . 15.0 112.721 -170.111 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 452' ' ' THR . . . . . 0.441 ' OG1' ' HB3' ' A' ' 449' ' ' ASN . 46.1 p -91.59 -38.62 12.36 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.491 0.663 . . . . 15.0 110.169 158.204 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 453' ' ' ASP . . . . . . . . . . . . . 21.6 t70 66.91 75.04 0.32 Allowed 'General case' 0 N--CA 1.462 0.15 0 CA-C-N 113.822 -1.535 . . . . 15.0 109.622 -166.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . 0.498 ' HG2' ' HB3' ' A' ' 449' ' ' ASN . 14.4 pt-20 -144.57 150.15 37.01 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.323 -0.853 . . . . 15.0 109.855 -178.811 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 47.0 m -123.4 120.13 32.07 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.963 0.411 . . . . 15.0 111.009 179.184 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 15.4 t -128.48 149.96 50.36 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.177 -0.465 . . . . 15.0 109.952 179.265 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 91.8 m95 -96.14 6.05 49.69 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.863 0.363 . . . . 15.0 110.438 179.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -96.38 141.74 29.34 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.136 -0.69 . . . . 15.0 109.136 175.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . 0.452 ' HE3' ' O ' ' A' ' 463' ' ' LEU . 49.2 tttp -83.28 118.74 72.51 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 116.524 -0.307 . . . . 15.0 111.577 -172.003 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . 0.446 ' HD2' ' HA ' ' A' ' 459' ' ' LYS . 15.0 Cg_endo -59.62 143.59 99.62 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 123.09 2.527 . . . . 15.0 112.022 177.561 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -63.19 -30.71 71.81 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.773 -0.649 . . . . 15.0 111.127 -177.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . 0.508 ' OE2' ' HB2' ' A' ' 463' ' ' LEU . 0.0 OUTLIER -70.3 -14.13 62.46 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.663 -0.698 . . . . 15.0 111.756 -179.668 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . 0.508 ' HB2' ' OE2' ' A' ' 462' ' ' GLU . 18.6 tp -120.18 9.32 11.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.004 0.43 . . . . 15.0 110.164 178.353 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 1.8 ttpm? . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.246 -0.883 . . . . 15.0 110.981 -174.546 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.407 0 N-CA-C 111.585 -0.606 . . . . 15.0 111.585 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -94.98 95.64 8.75 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.811 0.339 . . . . 15.0 110.424 -178.364 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -96.17 99.68 11.39 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.066 0.46 . . . . 15.0 111.321 -179.098 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -133.79 89.96 2.65 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.933 -0.576 . . . . 15.0 110.282 177.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 14.9 p 179.9 143.79 0.1 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.337 0 N-CA-C 109.359 -0.608 . . . . 15.0 109.359 -178.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 49.8 m 66.59 23.71 10.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.378 0.609 . . . . 15.0 110.695 177.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -85.1 1.89 45.86 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.452 -0.795 . . . . 15.0 110.808 177.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 70.6 m95 -99.91 119.14 37.76 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.695 -0.684 . . . . 15.0 110.536 179.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 3.3 m -114.97 146.13 41.53 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.221 -0.659 . . . . 15.0 109.221 178.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -121.54 150.33 41.79 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.408 0.623 . . . . 15.0 110.711 -177.006 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . 0.445 ' O ' ' HA ' ' A' ' 445' ' ' THR . 84.4 m-85 -135.22 137.72 42.9 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 114.78 -1.1 . . . . 15.0 109.152 -178.771 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 0.802 ' HZ1' ' HB2' ' A' ' 439' ' ' LYS . 0.0 OUTLIER -89.98 127.02 35.95 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.216 0.531 . . . . 15.0 109.978 -179.599 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 16.8 p -89.62 150.63 22.29 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.111 -0.95 . . . . 15.0 110.119 -178.207 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -49.41 -20.53 0.71 Allowed 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 113.872 1.064 . . . . 15.0 113.872 -175.104 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -79.62 -0.83 35.4 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 121.139 0.495 . . . . 15.0 110.412 177.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . 0.523 ' C ' ' HD2' ' A' ' 439' ' ' LYS . . . 90.1 38.81 6.27 Favored Glycine 0 N--CA 1.447 -0.567 0 CA-C-N 115.64 -0.709 . . . . 15.0 114.417 171.353 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.724 ' C ' ' HD3' ' A' ' 439' ' ' LYS . 35.9 mttp -148.53 158.03 43.86 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 117.599 0.699 . . . . 15.0 112.728 174.448 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 445' ' ' THR . . . . . 0.481 HG23 ' NZ ' ' A' ' 439' ' ' LYS . 1.0 OUTLIER -97.95 141.4 30.97 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.156 -0.474 . . . . 15.0 111.929 179.14 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 31.3 p90 -117.88 149.99 39.94 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 108.685 -0.857 . . . . 15.0 108.685 172.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -103.16 129.72 50.13 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 122.102 0.953 . . . . 15.0 111.704 -172.527 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . 0.513 ' HD2' ' HB3' ' A' ' 455' ' ' SER . 39.9 t80 -123.25 121.17 35.22 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 114.227 -1.351 . . . . 15.0 109.874 -173.628 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.45 ' HB3' ' HG2' ' A' ' 454' ' ' GLU . 24.8 t-20 -90.35 132.66 35.46 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 108.959 -0.756 . . . . 15.0 108.959 175.558 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 39.5 m-80 -76.89 -48.72 17.47 Favored 'General case' 0 C--N 1.313 -1.02 0 N-CA-C 113.027 0.751 . . . . 15.0 113.027 -173.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 58.3 mtm180 -90.01 -1.74 58.01 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 118.349 -1.34 . . . . 15.0 112.853 -171.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 452' ' ' THR . . . . . 0.522 ' HG1' ' HG2' ' A' ' 454' ' ' GLU . 76.8 p -91.36 -35.89 14.15 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.42 -0.585 . . . . 15.0 109.42 157.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 453' ' ' ASP . . . . . . . . . . . . . 26.0 t70 76.74 27.29 0.77 Allowed 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 113.664 -1.607 . . . . 15.0 109.508 -175.366 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . 0.522 ' HG2' ' HG1' ' A' ' 452' ' ' THR . 14.4 pt-20 -97.55 137.8 35.93 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 116.022 -0.535 . . . . 15.0 111.184 -176.629 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 455' ' ' SER . . . . . 0.513 ' HB3' ' HD2' ' A' ' 448' ' ' TYR . 12.2 p -110.18 121.94 46.45 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.172 -0.467 . . . . 15.0 110.375 173.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 9.9 t -137.68 150.11 47.08 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.892 0.377 . . . . 15.0 110.386 -178.408 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 81.4 m95 -90.95 7.14 41.69 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.005 0.431 . . . . 15.0 110.691 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -92.73 142.66 27.1 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.06 -0.518 . . . . 15.0 109.905 175.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . 0.59 ' HE2' ' O ' ' A' ' 463' ' ' LEU . 75.9 tttt -84.51 125.0 72.74 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 116.292 -0.413 . . . . 15.0 110.35 -177.136 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . 0.558 ' HG2' ' HB3' ' A' ' 463' ' ' LEU . 17.1 Cg_endo -57.98 140.15 92.93 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 123.208 2.605 . . . . 15.0 112.561 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -66.29 -9.97 37.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.76 -0.655 . . . . 15.0 112.23 -177.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -88.69 -20.32 25.01 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.129 -0.487 . . . . 15.0 110.587 177.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . 0.59 ' O ' ' HE2' ' A' ' 459' ' ' LYS . 19.2 tp -120.02 18.33 12.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.056 -0.52 . . . . 15.0 110.902 -169.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 25.8 mtmm . . . . . 0 C--O 1.248 0.988 0 CA-C-O 118.161 -0.923 . . . . 15.0 110.388 179.697 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.739 0 N-CA-C 112.138 -0.385 . . . . 15.0 112.138 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -107.18 145.59 32.4 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 110.259 -0.275 . . . . 15.0 110.259 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 430' ' ' THR . . . . . 0.563 ' HA ' HD11 ' A' ' 463' ' ' LEU . 2.6 m -124.18 33.17 5.34 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-O 120.586 0.231 . . . . 15.0 111.588 -174.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . 71.77 128.74 0.03 OUTLIER 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.868 0.842 . . . . 15.0 111.474 177.125 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 15.3 m -83.72 56.12 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.929 0 CA-C-N 115.001 -1.0 . . . . 15.0 111.721 -177.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 10.0 t 65.3 17.17 10.9 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.028 -0.987 . . . . 15.0 110.978 178.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . 0.579 ' HB3' ' ND2' ' A' ' 449' ' ' ASN . 21.2 mm-40 -90.0 -74.0 0.5 Allowed 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 114.868 -1.06 . . . . 15.0 110.878 178.831 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.471 ' CD2' ' HB2' ' A' ' 449' ' ' ASN . 55.6 m95 -90.65 123.2 34.08 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.614 -0.721 . . . . 15.0 110.456 -176.832 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 2.7 m -113.69 146.47 39.77 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.001 -0.545 . . . . 15.0 109.694 177.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . 0.42 ' CD ' HG21 ' A' ' 445' ' ' THR . 4.6 tm-20 -90.0 113.94 25.7 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.339 0.59 . . . . 15.0 110.135 -178.456 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 80.0 m-85 -110.64 148.02 33.09 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 114.948 -1.024 . . . . 15.0 108.946 175.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 0.827 ' HD2' ' N ' ' A' ' 444' ' ' LYS . 0.1 OUTLIER -103.92 138.93 39.79 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.24 0.543 . . . . 15.0 111.044 -176.818 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 440' ' ' THR . . . . . 0.509 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 29.5 p -89.75 150.43 22.29 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.329 -0.85 . . . . 15.0 109.318 173.144 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -54.13 -23.47 14.23 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 112.791 0.664 . . . . 15.0 112.791 -175.315 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -80.99 -0.8 41.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.765 0.316 . . . . 15.0 111.307 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 88.78 55.79 2.09 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 121.089 -0.577 . . . . 15.0 112.658 175.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.827 ' N ' ' HD2' ' A' ' 439' ' ' LYS . 14.5 mmtp -140.52 142.68 35.21 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 116.7 2.111 . . . . 15.0 116.7 -178.263 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 445' ' ' THR . . . . . 0.42 HG21 ' CD ' ' A' ' 437' ' ' GLU . 20.9 p -89.59 139.69 30.3 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 114.981 -1.008 . . . . 15.0 110.711 179.057 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 45.7 p90 -149.96 145.14 26.3 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.317 -0.623 . . . . 15.0 109.317 173.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 66.4 m-85 -98.69 114.54 27.09 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-O 121.387 0.613 . . . . 15.0 110.628 -173.197 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . 0.493 ' HD2' ' HB3' ' A' ' 455' ' ' SER . 44.0 t80 -106.09 119.48 39.33 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 114.999 -1.0 . . . . 15.0 110.055 -175.237 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.579 ' ND2' ' HB3' ' A' ' 434' ' ' GLU . 21.5 t-20 -89.72 134.61 34.08 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 108.728 -0.841 . . . . 15.0 108.728 176.252 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 42.9 m-80 -76.89 -52.94 8.55 Favored 'General case' 0 C--N 1.315 -0.925 0 N-CA-C 113.1 0.778 . . . . 15.0 113.1 -171.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -90.14 -1.86 58.0 Favored 'General case' 0 CA--C 1.515 -0.392 0 C-N-CA 118.169 -1.413 . . . . 15.0 112.487 -171.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 452' ' ' THR . . . . . 0.865 ' HG1' ' HG2' ' A' ' 454' ' ' GLU . 26.3 p -91.82 -32.19 15.44 Favored 'General case' 0 C--N 1.308 -1.224 0 CA-C-O 121.58 0.705 . . . . 15.0 109.436 161.015 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 453' ' ' ASP . . . . . . . . . . . . . 29.3 t70 69.9 31.64 3.36 Favored 'General case' 0 C--N 1.343 0.319 0 CA-C-N 113.656 -1.611 . . . . 15.0 110.391 178.176 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . 0.865 ' HG2' ' HG1' ' A' ' 452' ' ' THR . 14.7 pt-20 -122.01 148.88 44.27 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.667 -0.697 . . . . 15.0 110.475 -177.76 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 455' ' ' SER . . . . . 0.493 ' HB3' ' HD2' ' A' ' 448' ' ' TYR . 5.9 p -117.22 130.58 56.67 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.273 -0.421 . . . . 15.0 111.037 -178.306 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 8.9 t -119.72 150.05 41.01 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.104 -0.498 . . . . 15.0 110.479 179.194 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 83.0 m95 -96.44 2.17 52.32 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.158 -0.474 . . . . 15.0 110.092 178.207 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -109.07 151.71 26.03 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.88 -0.6 . . . . 15.0 109.596 -179.228 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . 0.721 ' HB3' ' HZ1' ' A' ' 459' ' ' LYS . 9.8 mtpm? -72.62 118.7 70.14 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-O 121.159 0.504 . . . . 15.0 111.415 -177.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . 0.572 ' HG2' ' HB2' ' A' ' 463' ' ' LEU . 11.2 Cg_endo -57.65 150.34 62.08 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 123.702 2.935 . . . . 15.0 112.396 177.458 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 4.9 pm0 -56.33 -25.23 48.26 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.026 -0.534 . . . . 15.0 112.068 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . 0.41 ' OE2' ' HB2' ' A' ' 434' ' ' GLU . 11.7 pt-20 -89.88 7.32 37.83 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 116.114 -0.494 . . . . 15.0 111.655 179.585 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . 0.572 ' HB2' ' HG2' ' A' ' 460' ' ' PRO . 31.1 tp -116.96 9.04 13.62 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.161 0.505 . . . . 15.0 110.622 179.617 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 21.7 pttp . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.276 -0.869 . . . . 15.0 109.961 176.025 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.717 0 N-CA-C 112.162 -0.375 . . . . 15.0 112.162 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . 0.406 ' C ' ' H ' ' A' ' 431' ' ' ALA . . . -130.18 130.09 44.26 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 110.128 -0.323 . . . . 15.0 110.128 178.263 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 44.4 m 77.18 -44.77 0.46 Allowed 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 121.917 0.865 . . . . 15.0 111.686 179.287 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . 0.406 ' H ' ' C ' ' A' ' 429' ' ' ALA . . . -96.58 82.54 3.35 Favored 'General case' 0 C--N 1.297 -1.713 0 CA-C-N 114.38 -1.282 . . . . 15.0 110.187 178.235 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 14.8 p -167.65 140.59 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.7 0 N-CA-C 109.078 -0.712 . . . . 15.0 109.078 -178.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 8.6 t 69.47 17.65 7.99 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 121.912 0.863 . . . . 15.0 109.825 -177.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . 0.535 ' HB3' ' ND2' ' A' ' 449' ' ' ASN . 6.2 mm-40 -69.79 -19.35 63.5 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.271 -1.332 . . . . 15.0 110.772 178.337 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.504 ' HA ' ' O ' ' A' ' 448' ' ' TYR . 71.5 m95 -112.29 119.93 39.98 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.442 -0.799 . . . . 15.0 110.633 -174.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 2.4 m -99.16 145.01 27.64 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.017 -0.538 . . . . 15.0 109.592 176.461 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -104.31 123.74 47.92 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.278 0.561 . . . . 15.0 110.602 -176.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . 0.555 ' O ' ' HA ' ' A' ' 445' ' ' THR . 93.4 m-85 -123.42 140.37 53.08 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.397 -0.819 . . . . 15.0 110.285 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 0.825 ' HD3' ' C ' ' A' ' 444' ' ' LYS . 11.2 tppt? -95.17 132.91 39.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.2 0.524 . . . . 15.0 109.926 175.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 9.8 p -89.64 151.0 22.12 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.36 -0.836 . . . . 15.0 110.365 -179.154 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -50.76 -20.97 1.42 Allowed 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 113.11 0.782 . . . . 15.0 113.11 -178.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -77.64 -5.03 48.96 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 121.027 0.441 . . . . 15.0 111.001 175.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . 0.443 ' C ' ' HD2' ' A' ' 439' ' ' LYS . . . 90.15 39.39 6.08 Favored Glycine 0 N--CA 1.447 -0.583 0 CA-C-N 115.628 -0.714 . . . . 15.0 114.153 173.682 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.825 ' C ' ' HD3' ' A' ' 439' ' ' LYS . 48.0 mtpt -145.16 153.54 41.48 Favored 'General case' 0 C--O 1.221 -0.42 0 N-CA-C 113.346 0.869 . . . . 15.0 113.346 175.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 445' ' ' THR . . . . . 0.555 ' HA ' ' O ' ' A' ' 438' ' ' TYR . 0.1 OUTLIER -99.41 150.11 22.49 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.833 -0.621 . . . . 15.0 112.239 -176.6 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 47.2 p90 -142.57 150.06 39.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.528 -0.76 . . . . 15.0 109.336 -177.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -98.11 126.49 43.58 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.404 0.621 . . . . 15.0 111.089 -175.155 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . 0.504 ' O ' ' HA ' ' A' ' 435' ' ' TRP . 43.0 t80 -116.65 120.12 37.64 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 115.355 -0.839 . . . . 15.0 110.315 -174.129 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.535 ' ND2' ' HB3' ' A' ' 434' ' ' GLU . 23.1 t-20 -89.77 134.36 34.22 Favored 'General case' 0 CA--C 1.507 -0.691 0 N-CA-C 108.693 -0.854 . . . . 15.0 108.693 177.726 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 41.6 m-80 -83.54 -50.18 8.5 Favored 'General case' 0 C--N 1.312 -1.03 0 N-CA-C 113.259 0.837 . . . . 15.0 113.259 -170.376 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 46.0 mtm180 -90.06 -1.76 58.01 Favored 'General case' 0 N--CA 1.462 0.173 0 C-N-CA 118.419 -1.312 . . . . 15.0 112.728 -173.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 452' ' ' THR . . . . . 0.49 ' HG1' ' HG2' ' A' ' 454' ' ' GLU . 71.2 p -91.4 -36.65 13.68 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.553 0.692 . . . . 15.0 109.54 160.069 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 453' ' ' ASP . . . . . . . . . . . . . 26.5 t70 67.51 71.38 0.35 Allowed 'General case' 0 C--O 1.231 0.125 0 CA-C-N 113.611 -1.631 . . . . 15.0 109.752 -173.047 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . 0.49 ' HG2' ' HG1' ' A' ' 452' ' ' THR . 12.8 pt-20 -150.2 150.24 31.31 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.236 -0.893 . . . . 15.0 111.001 -178.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 10.2 p -112.35 129.38 56.32 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.106 -0.497 . . . . 15.0 111.145 179.477 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 21.7 m -132.59 139.51 47.83 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.094 -0.503 . . . . 15.0 110.084 -178.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 91.3 m95 -89.01 -25.67 21.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.722 0.296 . . . . 15.0 111.497 -178.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -75.55 137.07 40.59 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.179 -0.464 . . . . 15.0 109.907 174.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . 1.053 ' HB3' ' HE3' ' A' ' 464' ' ' LYS . 32.9 tttm -67.2 114.2 17.42 Favored Pre-proline 0 C--N 1.326 -0.417 0 N-CA-C 109.792 -0.448 . . . . 15.0 109.792 -179.498 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . 0.717 ' HG2' ' HB3' ' A' ' 463' ' ' LEU . 10.1 Cg_endo -53.63 146.32 44.29 Favored 'Trans proline' 0 N--CA 1.476 0.446 0 C-N-CA 123.969 3.112 . . . . 15.0 112.901 -176.503 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -63.67 -22.85 67.12 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 111.851 0.315 . . . . 15.0 111.851 -178.114 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 2.5 pm0 -82.15 -15.48 53.15 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.711 0.291 . . . . 15.0 111.251 177.586 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . 0.717 ' HB3' ' HG2' ' A' ' 460' ' ' PRO . 29.6 tp -120.27 3.45 10.85 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.843 0.354 . . . . 15.0 110.51 -178.581 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . 1.053 ' HE3' ' HB3' ' A' ' 459' ' ' LYS . 8.3 mmtp . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.256 -0.878 . . . . 15.0 110.577 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.768 0 N-CA-C 112.07 -0.412 . . . . 15.0 112.07 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -55.45 139.05 44.79 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-O 120.717 0.294 . . . . 15.0 111.476 -179.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 30.7 m 62.49 86.85 0.11 Allowed 'General case' 0 N--CA 1.455 -0.198 0 CA-C-N 115.592 -0.731 . . . . 15.0 110.994 -177.29 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -84.36 69.91 10.56 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.431 0.634 . . . . 15.0 110.029 177.379 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 75.6 t -148.42 136.08 14.13 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.586 0 CA-C-N 115.125 -0.943 . . . . 15.0 108.578 -176.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 91.7 p 63.98 22.11 12.84 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 124.674 1.19 . . . . 15.0 111.098 178.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -89.26 -11.23 44.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.889 -0.596 . . . . 15.0 110.459 177.47 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.46 ' CZ3' HG23 ' A' ' 456' ' ' THR . 86.6 m95 -102.59 124.57 48.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.083 -0.508 . . . . 15.0 110.841 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 2.8 m -111.43 144.01 41.32 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.895 -0.409 . . . . 15.0 109.895 176.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . 0.416 ' HG2' HG22 ' A' ' 445' ' ' THR . 31.3 tt0 -99.98 122.55 43.05 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.267 0.556 . . . . 15.0 110.221 -176.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 90.4 m-85 -124.33 150.23 45.7 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.324 -0.853 . . . . 15.0 109.662 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 0.862 ' HD2' ' N ' ' A' ' 444' ' ' LYS . 13.6 tppt? -104.16 138.34 40.79 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.994 0.426 . . . . 15.0 111.054 179.325 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 440' ' ' THR . . . . . 0.467 HG23 ' CE1' ' A' ' 446' ' ' TYR . 6.1 p -89.81 150.29 22.31 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.774 -0.648 . . . . 15.0 109.663 172.443 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -64.08 1.87 0.63 Allowed 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 113.314 0.857 . . . . 15.0 113.314 -174.452 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -100.52 2.28 41.82 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.797 0.332 . . . . 15.0 110.455 178.106 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.05 54.91 2.07 Favored Glycine 0 C--N 1.332 0.321 0 C-N-CA 121.243 -0.503 . . . . 15.0 112.62 178.13 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.862 ' N ' ' HD2' ' A' ' 439' ' ' LYS . 33.0 mttp -150.11 132.59 15.68 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 115.004 1.483 . . . . 15.0 115.004 -177.451 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 445' ' ' THR . . . . . 0.416 HG22 ' HG2' ' A' ' 437' ' ' GLU . 0.0 OUTLIER -93.74 148.77 21.81 Favored 'General case' 0 C--N 1.315 -0.896 0 C-N-CA 121.153 -0.219 . . . . 15.0 110.632 177.506 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . 0.467 ' CE1' HG23 ' A' ' 440' ' ' THR . 54.4 p90 -149.95 150.06 31.3 Favored 'General case' 0 CA--C 1.515 -0.397 0 N-CA-C 109.612 -0.514 . . . . 15.0 109.612 -176.291 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -104.98 120.34 41.22 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.474 0.654 . . . . 15.0 111.102 -171.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . 0.567 ' CD2' ' HB3' ' A' ' 455' ' ' SER . 35.2 t80 -113.39 119.62 38.26 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 114.648 -1.16 . . . . 15.0 109.767 -176.502 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.615 ' HB3' ' OG1' ' A' ' 452' ' ' THR . 46.2 t-20 -90.13 126.97 35.98 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.978 -0.749 . . . . 15.0 108.978 177.634 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 45.6 m-80 -80.47 -41.2 24.79 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.49 -0.777 . . . . 15.0 112.623 -171.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 80.9 mtm180 -90.28 -1.49 57.93 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 118.666 -1.214 . . . . 15.0 111.793 -174.419 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 452' ' ' THR . . . . . 0.615 ' OG1' ' HB3' ' A' ' 449' ' ' ASN . 42.5 p -91.55 -47.65 7.29 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.717 0.77 . . . . 15.0 109.357 160.07 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 453' ' ' ASP . . . . . . . . . . . . . 30.1 t70 81.93 36.18 0.07 Allowed 'General case' 0 C--N 1.342 0.247 0 CA-C-N 112.779 -2.009 . . . . 15.0 109.71 -172.264 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . 0.481 ' HG3' ' HB ' ' A' ' 452' ' ' THR . 1.1 pp20? -128.73 145.49 51.16 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.234 0.54 . . . . 15.0 111.045 175.845 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 455' ' ' SER . . . . . 0.567 ' HB3' ' CD2' ' A' ' 448' ' ' TYR . 13.0 p -116.76 135.1 54.03 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.474 -0.785 . . . . 15.0 110.949 -177.435 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 456' ' ' THR . . . . . 0.46 HG23 ' CZ3' ' A' ' 435' ' ' TRP . 14.4 t -133.01 150.05 52.18 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.925 -0.579 . . . . 15.0 109.719 177.211 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.527 ' HZ3' ' HB3' ' A' ' 444' ' ' LYS . 74.2 m95 -86.19 -3.28 58.93 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.122 0.487 . . . . 15.0 110.25 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -83.2 136.07 34.55 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.628 -0.715 . . . . 15.0 109.615 176.338 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . 0.516 ' HE2' ' O ' ' A' ' 463' ' ' LEU . 70.7 tttt -77.33 123.44 86.97 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 116.49 -0.323 . . . . 15.0 110.795 -175.623 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -69.18 149.16 70.24 Favored 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 122.818 2.345 . . . . 15.0 112.257 -179.174 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -57.81 -27.86 63.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.744 -0.662 . . . . 15.0 112.055 -175.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -72.4 -22.15 61.16 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.05 0.389 . . . . 15.0 112.05 -176.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . 0.516 ' O ' ' HE2' ' A' ' 459' ' ' LYS . 6.3 tp -120.23 3.28 10.88 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.675 -0.41 . . . . 15.0 111.005 -172.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 64.2 tttm . . . . . 0 C--O 1.253 1.27 0 CA-C-O 118.378 -0.82 . . . . 15.0 111.853 -174.177 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.581 0 N-CA-C 111.487 -0.645 . . . . 15.0 111.487 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . 71.58 148.37 0.08 Allowed 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 121.608 0.718 . . . . 15.0 112.378 178.041 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 28.1 m -115.79 112.5 22.09 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.578 -0.737 . . . . 15.0 110.422 177.389 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . 68.01 113.97 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.318 0 O-C-N 124.116 0.885 . . . . 15.0 112.316 177.442 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 21.0 m -112.75 38.43 0.57 Allowed 'Isoleucine or valine' 0 CA--C 1.51 -0.563 0 CA-C-O 122.778 1.275 . . . . 15.0 110.294 178.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 4.9 t 49.04 24.89 0.97 Allowed 'General case' 0 C--N 1.311 -1.107 0 CA-C-N 112.094 -2.321 . . . . 15.0 112.41 179.144 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . 0.495 ' HG3' ' ND2' ' A' ' 449' ' ' ASN . 15.6 tp10 -87.11 -22.05 25.62 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.351 0.596 . . . . 15.0 110.446 -176.318 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 84.9 m95 -108.65 135.67 49.5 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.351 -0.841 . . . . 15.0 110.249 177.271 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 3.1 m -126.18 144.73 50.65 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.499 -0.556 . . . . 15.0 109.499 173.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . 0.514 ' HB3' ' CD1' ' A' ' 447' ' ' TYR . 0.2 OUTLIER -110.96 131.12 55.31 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.533 0.683 . . . . 15.0 111.103 -176.515 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -126.96 141.84 51.7 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.429 -0.805 . . . . 15.0 109.483 178.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 0.826 ' HD3' ' C ' ' A' ' 444' ' ' LYS . 10.6 tppt? -93.75 143.34 26.41 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.382 0.61 . . . . 15.0 110.413 -177.739 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 25.0 p -89.62 150.71 22.26 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.108 -0.951 . . . . 15.0 109.872 178.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -49.91 -25.14 2.95 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 112.966 0.728 . . . . 15.0 112.966 -179.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -80.55 -6.12 57.76 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 120.902 0.382 . . . . 15.0 110.758 178.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.32 51.47 2.74 Favored Glycine 0 N--CA 1.449 -0.48 0 CA-C-N 115.943 -0.571 . . . . 15.0 114.254 176.036 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.826 ' C ' ' HD3' ' A' ' 439' ' ' LYS . 42.6 mttp -146.19 149.94 34.91 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 117.489 0.645 . . . . 15.0 112.626 168.229 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 445' ' ' THR . . . . . 0.572 ' N ' ' HD3' ' A' ' 439' ' ' LYS . 0.0 OUTLIER -96.66 145.3 25.89 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.17 0.509 . . . . 15.0 111.563 -179.041 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 52.0 p90 -130.09 146.81 51.77 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.282 -0.872 . . . . 15.0 108.656 175.132 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . 0.514 ' CD1' ' HB3' ' A' ' 437' ' ' GLU . 64.0 m-85 -99.98 123.69 44.5 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.379 0.609 . . . . 15.0 111.065 -174.631 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . 0.482 ' HD1' ' HG ' ' A' ' 455' ' ' SER . 55.1 t80 -109.43 124.09 50.44 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.247 -0.888 . . . . 15.0 110.665 -178.635 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.551 ' HB3' ' OG1' ' A' ' 452' ' ' THR . 24.1 t-20 -94.44 135.42 35.89 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.635 -0.876 . . . . 15.0 108.635 172.854 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 43.4 m-80 -76.82 -53.01 8.48 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 113.141 0.793 . . . . 15.0 113.141 -170.047 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 46.6 mtm180 -88.99 -1.11 57.95 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 118.836 -1.145 . . . . 15.0 112.306 -172.288 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 452' ' ' THR . . . . . 0.551 ' OG1' ' HB3' ' A' ' 449' ' ' ASN . 80.4 p -91.34 -31.49 16.06 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.422 0.629 . . . . 15.0 109.692 158.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 453' ' ' ASP . . . . . . . . . . . . . 36.8 t70 66.62 31.23 7.9 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 114.195 -1.366 . . . . 15.0 109.664 -175.159 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -101.14 141.36 34.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.663 -0.699 . . . . 15.0 110.339 -178.324 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 455' ' ' SER . . . . . 0.482 ' HG ' ' HD1' ' A' ' 448' ' ' TYR . 15.6 m -117.55 115.79 25.82 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.298 -0.63 . . . . 15.0 109.298 174.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 14.6 t -130.97 150.47 52.11 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.302 0.572 . . . . 15.0 110.842 -175.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 70.9 m95 -89.88 0.31 57.13 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.669 -0.696 . . . . 15.0 110.241 178.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -87.31 153.24 21.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.547 -0.751 . . . . 15.0 109.555 177.109 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . 0.488 ' HE2' ' O ' ' A' ' 463' ' ' LEU . 63.1 tttt -81.21 124.91 80.46 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 116.454 -0.339 . . . . 15.0 110.697 -175.587 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . 0.539 ' HG2' ' HB3' ' A' ' 463' ' ' LEU . 6.6 Cg_endo -51.95 140.71 48.35 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 123.476 2.784 . . . . 15.0 112.656 178.176 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -72.05 -1.6 15.31 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.116 -0.493 . . . . 15.0 111.724 -176.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -102.94 -4.93 24.04 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.945 0.402 . . . . 15.0 110.383 174.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . 0.539 ' HB3' ' HG2' ' A' ' 460' ' ' PRO . 21.7 tp -120.03 21.17 11.95 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.237 -0.438 . . . . 15.0 110.031 -176.313 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 21.2 mtmm . . . . . 0 C--O 1.248 0.984 0 CA-C-O 118.469 -0.777 . . . . 15.0 111.13 -175.564 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.804 0 N-CA-C 111.878 -0.489 . . . . 15.0 111.878 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . 0.564 ' O ' HG23 ' A' ' 430' ' ' THR . . . -87.51 109.62 19.74 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.993 -0.373 . . . . 15.0 109.993 177.136 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 430' ' ' THR . . . . . 0.564 HG23 ' O ' ' A' ' 429' ' ' ALA . 1.0 OUTLIER 58.81 8.75 1.0 Allowed 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.398 1.079 . . . . 15.0 112.028 -178.169 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -137.53 100.83 4.33 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.123 -0.49 . . . . 15.0 110.085 -179.608 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 91.7 t -142.78 125.99 14.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 108.858 -0.793 . . . . 15.0 108.858 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 43.3 m 73.06 23.3 2.74 Favored 'General case' 0 C--N 1.328 -0.357 0 O-C-N 123.95 0.781 . . . . 15.0 110.292 -178.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . 0.493 ' O ' ' HA ' ' A' ' 449' ' ' ASN . 14.9 mm-40 -69.63 -27.78 65.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.496 -0.775 . . . . 15.0 110.93 -179.646 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.456 ' HB3' ' HB3' ' A' ' 447' ' ' TYR . 34.2 m95 -102.51 114.54 28.84 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.362 -0.835 . . . . 15.0 110.684 -173.482 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 4.9 m -91.4 146.09 24.1 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.844 -0.616 . . . . 15.0 109.65 177.158 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -96.27 126.99 41.86 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.944 0.402 . . . . 15.0 111.462 -175.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . 0.466 ' O ' ' HA ' ' A' ' 445' ' ' THR . 78.0 m-85 -130.66 127.06 38.14 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.454 -0.793 . . . . 15.0 109.398 175.348 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 0.803 ' HD3' ' C ' ' A' ' 444' ' ' LYS . 11.9 tppt? -99.9 142.24 31.65 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 109.493 -0.558 . . . . 15.0 109.493 179.156 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 24.7 p -89.39 150.71 22.41 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 115.442 -0.799 . . . . 15.0 110.013 -178.371 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -49.58 -28.73 6.0 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 112.563 0.579 . . . . 15.0 112.563 -179.568 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -79.76 -4.11 50.55 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 121.159 0.504 . . . . 15.0 111.05 178.352 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.23 52.69 2.49 Favored Glycine 0 N--CA 1.447 -0.59 0 CA-C-N 115.728 -0.669 . . . . 15.0 114.581 174.373 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.803 ' C ' ' HD3' ' A' ' 439' ' ' LYS . 10.7 mttm -146.57 146.07 30.33 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 113.43 0.9 . . . . 15.0 113.43 169.26 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 445' ' ' THR . . . . . 0.624 ' N ' ' HD3' ' A' ' 439' ' ' LYS . 0.0 OUTLIER -96.13 145.47 25.48 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.52 0.676 . . . . 15.0 112.138 -179.242 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 42.7 p90 -129.26 135.78 49.23 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 114.806 -1.088 . . . . 15.0 108.597 171.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . 0.486 ' CD2' ' HD3' ' A' ' 460' ' ' PRO . 73.2 m-85 -92.61 112.36 24.29 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.224 -0.444 . . . . 15.0 110.564 -174.248 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . 0.4 ' CE1' ' HA ' ' A' ' 453' ' ' ASP . 29.1 t80 -100.41 120.99 40.8 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.987 -0.551 . . . . 15.0 110.864 -178.332 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.563 ' HB3' ' OG1' ' A' ' 452' ' ' THR . 37.3 t-20 -89.77 129.3 36.18 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.69 -0.855 . . . . 15.0 108.69 176.725 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 40.7 m-80 -73.23 -49.99 24.82 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 113.281 0.845 . . . . 15.0 113.281 -170.638 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 31.6 mtm180 -90.18 -1.68 57.97 Favored 'General case' 0 C--N 1.333 -0.145 0 C-N-CA 118.268 -1.373 . . . . 15.0 112.225 -173.486 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 452' ' ' THR . . . . . 0.918 ' HG1' ' HG2' ' A' ' 454' ' ' GLU . 70.4 p -91.2 -36.6 13.84 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.948 -0.76 . . . . 15.0 108.948 161.12 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 453' ' ' ASP . . . . . 0.4 ' HA ' ' CE1' ' A' ' 448' ' ' TYR . 36.8 t70 69.88 33.41 2.86 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 113.505 -1.679 . . . . 15.0 109.369 -174.347 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . 0.918 ' HG2' ' HG1' ' A' ' 452' ' ' THR . 10.8 pt-20 -116.99 145.15 43.84 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 115.817 -0.629 . . . . 15.0 110.212 -179.304 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 36.0 m -109.9 118.38 36.31 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.127 0.489 . . . . 15.0 110.982 -179.45 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 54.1 m -110.3 134.65 52.06 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.711 -0.677 . . . . 15.0 109.79 177.223 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 69.3 m95 -89.55 -23.65 21.95 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.145 0.498 . . . . 15.0 109.948 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -72.81 152.39 41.58 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.455 -0.793 . . . . 15.0 109.666 174.196 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . 0.59 ' HG2' ' HA ' ' A' ' 464' ' ' LYS . 18.0 tptm -64.76 120.62 67.75 Favored Pre-proline 0 C--N 1.326 -0.443 0 N-CA-C 110.208 -0.293 . . . . 15.0 110.208 -179.402 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . 0.486 ' HD3' ' CD2' ' A' ' 447' ' ' TYR . 52.5 Cg_exo -56.7 144.14 87.44 Favored 'Trans proline' 0 C--N 1.343 0.253 0 C-N-CA 123.198 2.598 . . . . 15.0 111.826 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -67.29 -9.45 40.98 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.3 0.481 . . . . 15.0 112.3 -175.364 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -98.59 -14.33 19.96 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.135 0.493 . . . . 15.0 110.578 176.219 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 31.4 tp -120.1 0.94 10.82 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.211 -0.45 . . . . 15.0 110.995 -174.236 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . 0.59 ' HA ' ' HG2' ' A' ' 459' ' ' LYS . 19.0 pttp . . . . . 0 C--O 1.245 0.857 0 CA-C-O 118.116 -0.945 . . . . 15.0 111.597 -176.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.745 0 N-CA-C 111.464 -0.654 . . . . 15.0 111.464 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -87.63 149.94 23.98 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.956 -0.757 . . . . 15.0 108.956 174.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 71.3 p 55.05 15.95 1.37 Allowed 'General case' 0 N--CA 1.471 0.582 0 O-C-N 123.952 0.783 . . . . 15.0 112.367 -179.504 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -158.27 103.91 1.83 Allowed 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 116.052 -0.522 . . . . 15.0 110.03 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 57.7 t -146.22 132.82 14.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 108.745 -0.835 . . . . 15.0 108.745 -179.379 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 20.7 m 78.29 20.54 0.91 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.26 0.975 . . . . 15.0 109.656 179.227 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . 0.566 ' O ' ' HA ' ' A' ' 449' ' ' ASN . 19.8 mm-40 -68.01 -27.3 66.44 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.852 -1.067 . . . . 15.0 110.773 -179.773 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.485 ' CZ3' HG21 ' A' ' 456' ' ' THR . 68.9 m95 -104.03 122.2 44.75 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.628 -0.714 . . . . 15.0 111.025 -173.328 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 6.3 m -106.04 149.02 27.08 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.811 -0.631 . . . . 15.0 109.879 176.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -101.25 121.49 41.96 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.385 0.612 . . . . 15.0 111.571 -178.264 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . 0.576 ' O ' ' HA ' ' A' ' 445' ' ' THR . 74.8 m-85 -124.72 128.12 48.3 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.252 -0.885 . . . . 15.0 109.049 174.134 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 0.738 ' HD3' ' C ' ' A' ' 444' ' ' LYS . 10.2 tppt? -89.92 125.02 35.21 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.338 0.589 . . . . 15.0 110.668 -177.611 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -89.77 150.74 22.14 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.196 -0.911 . . . . 15.0 110.013 176.662 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -47.84 -15.46 0.06 Allowed 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 114.205 1.187 . . . . 15.0 114.205 -176.448 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -80.66 -2.23 45.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.242 0.544 . . . . 15.0 110.377 177.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . 0.453 ' C ' ' HD2' ' A' ' 439' ' ' LYS . . . 89.97 35.15 7.82 Favored Glycine 0 N--CA 1.448 -0.523 0 CA-C-N 115.46 -0.791 . . . . 15.0 113.759 170.822 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.738 ' C ' ' HD3' ' A' ' 439' ' ' LYS . 33.0 mttp -150.43 157.61 43.22 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 117.093 0.446 . . . . 15.0 112.037 176.333 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 445' ' ' THR . . . . . 0.576 ' HA ' ' O ' ' A' ' 438' ' ' TYR . 33.8 p -93.87 136.33 34.27 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.367 0.603 . . . . 15.0 111.4 178.23 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 52.7 p90 -100.01 136.9 39.21 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 108.412 -0.958 . . . . 15.0 108.412 171.564 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 38.7 m-85 -91.46 114.89 27.55 Favored 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 109.958 -0.386 . . . . 15.0 109.958 -176.124 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . 0.424 ' O ' ' HA ' ' A' ' 435' ' ' TRP . 52.2 t80 -109.87 125.7 53.06 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.204 -0.453 . . . . 15.0 111.062 -177.703 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.739 ' HB3' ' OG1' ' A' ' 452' ' ' THR . 43.8 t-20 -96.07 133.85 39.83 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.401 -0.592 . . . . 15.0 109.401 175.245 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 44.5 m-80 -75.94 -50.54 14.68 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 113.245 0.831 . . . . 15.0 113.245 -172.625 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 50.4 mtm180 -90.2 -1.16 57.9 Favored 'General case' 0 N--CA 1.463 0.183 0 C-N-CA 118.803 -1.159 . . . . 15.0 111.762 -172.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 452' ' ' THR . . . . . 0.739 ' OG1' ' HB3' ' A' ' 449' ' ' ASN . 68.9 p -91.12 -36.08 14.2 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 108.536 -0.913 . . . . 15.0 108.536 161.654 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 453' ' ' ASP . . . . . . . . . . . . . 33.1 t70 69.06 36.26 2.51 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 113.838 -1.528 . . . . 15.0 109.287 -177.066 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . 0.476 ' HG3' ' HB ' ' A' ' 452' ' ' THR . 1.4 pp20? -134.93 150.08 50.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.708 -0.678 . . . . 15.0 111.011 178.4 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 34.5 t -120.62 134.11 55.31 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.657 -0.701 . . . . 15.0 110.693 -176.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 456' ' ' THR . . . . . 0.485 HG21 ' CZ3' ' A' ' 435' ' ' TRP . 8.9 t -120.1 149.79 41.64 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.777 -0.647 . . . . 15.0 109.991 176.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 77.9 m95 -92.66 -3.41 54.97 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.34 0.59 . . . . 15.0 109.703 177.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -93.46 140.81 29.16 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.125 -0.943 . . . . 15.0 109.408 178.089 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . 1.009 ' HD3' ' HA ' ' A' ' 464' ' ' LYS . 33.9 ttmt -55.67 125.18 60.25 Favored Pre-proline 0 C--N 1.328 -0.335 0 O-C-N 123.252 0.345 . . . . 15.0 111.404 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -63.32 150.09 89.5 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 123.296 2.664 . . . . 15.0 112.142 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 32.9 mm-40 -68.21 -11.27 59.01 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.628 0.603 . . . . 15.0 112.628 -174.312 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -99.36 -3.04 34.8 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.153 0.501 . . . . 15.0 110.49 177.111 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 31.3 tp -120.09 8.76 11.02 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.733 -0.667 . . . . 15.0 110.091 -178.11 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . 1.009 ' HA ' ' HD3' ' A' ' 459' ' ' LYS . 19.0 ptpt . . . . . 0 C--O 1.252 1.223 0 CA-C-O 118.955 -0.545 . . . . 15.0 111.604 -175.204 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.561 0 N-CA-C 111.511 -0.635 . . . . 15.0 111.511 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -70.13 149.49 47.52 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.88 0.371 . . . . 15.0 110.716 179.185 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 5.5 p -84.75 40.17 0.79 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.153 -0.476 . . . . 15.0 111.716 -178.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -129.87 92.41 3.31 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.178 -0.465 . . . . 15.0 110.353 179.074 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 9.3 p -170.25 135.97 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.911 -0.586 . . . . 15.0 110.168 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 35.3 p 53.64 29.81 9.93 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 123.669 0.788 . . . . 15.0 111.742 177.078 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -89.66 -21.33 22.82 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.089 -0.505 . . . . 15.0 110.329 178.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.478 ' HA ' ' O ' ' A' ' 448' ' ' TYR . 56.0 m95 -103.45 127.71 50.77 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.51 -0.768 . . . . 15.0 110.751 -175.697 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 3.5 m -117.34 144.02 45.35 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.352 -0.61 . . . . 15.0 109.352 175.379 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . 0.629 ' HB3' ' CD1' ' A' ' 447' ' ' TYR . 0.2 OUTLIER -121.2 134.79 55.21 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-O 121.499 0.666 . . . . 15.0 111.437 -176.481 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -122.45 138.17 54.63 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.292 -0.867 . . . . 15.0 109.085 176.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 0.838 ' HD3' ' C ' ' A' ' 444' ' ' LYS . 4.7 tppp? -89.72 127.03 35.88 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.496 -0.557 . . . . 15.0 109.496 -178.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 24.6 p -89.56 150.63 22.34 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 115.415 -0.812 . . . . 15.0 110.017 -176.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -48.19 -22.19 0.61 Allowed 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 113.173 0.805 . . . . 15.0 113.173 -176.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -78.71 -2.21 38.2 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 121.046 0.451 . . . . 15.0 111.063 177.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.94 37.62 6.74 Favored Glycine 0 N--CA 1.448 -0.554 0 CA-C-N 115.927 -0.579 . . . . 15.0 114.517 170.673 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.838 ' C ' ' HD3' ' A' ' 439' ' ' LYS . 35.5 mtmm -151.24 155.49 38.9 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 117.58 0.69 . . . . 15.0 112.472 175.101 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 445' ' ' THR . . . . . 0.668 HG23 ' HE3' ' A' ' 439' ' ' LYS . 0.6 OUTLIER -98.48 143.15 29.23 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.679 -0.691 . . . . 15.0 111.615 -177.663 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 44.5 p90 -115.71 137.79 51.73 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 108.814 -0.81 . . . . 15.0 108.814 171.602 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . 0.629 ' CD1' ' HB3' ' A' ' 437' ' ' GLU . 97.1 m-85 -98.93 122.02 41.64 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-O 121.19 0.519 . . . . 15.0 110.66 -174.647 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . 0.478 ' O ' ' HA ' ' A' ' 435' ' ' TRP . 46.0 t80 -113.38 123.81 50.96 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.131 -0.941 . . . . 15.0 111.247 -174.217 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -90.11 139.04 31.01 Favored 'General case' 0 CA--C 1.513 -0.449 0 N-CA-C 109.021 -0.733 . . . . 15.0 109.021 172.162 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 31.3 m-80 -75.14 -62.21 1.63 Allowed 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 113.57 0.952 . . . . 15.0 113.57 -172.642 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -87.67 -1.57 58.04 Favored 'General case' 0 CA--C 1.513 -0.455 0 C-N-CA 118.009 -1.477 . . . . 15.0 112.796 -168.182 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 452' ' ' THR . . . . . 0.441 ' HG1' ' HG2' ' A' ' 454' ' ' GLU . 25.9 p -91.93 -29.78 16.47 Favored 'General case' 0 C--N 1.309 -1.185 0 CA-C-O 121.778 0.799 . . . . 15.0 109.688 163.05 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 453' ' ' ASP . . . . . . . . . . . . . 17.1 t70 54.76 75.35 0.3 Allowed 'General case' 0 C--O 1.231 0.109 0 CA-C-N 113.684 -1.598 . . . . 15.0 110.474 -174.225 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . 0.441 ' HG2' ' HG1' ' A' ' 452' ' ' THR . 12.6 pt-20 -144.73 142.5 30.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 114.887 -1.052 . . . . 15.0 109.961 178.302 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 15.0 m -120.88 120.79 36.53 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.11 -0.496 . . . . 15.0 109.952 -178.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 14.7 t -133.73 150.12 51.49 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.019 0.438 . . . . 15.0 111.036 -177.572 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 51.6 m95 -89.54 65.75 7.09 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.531 -0.544 . . . . 15.0 109.531 176.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -158.85 128.84 5.79 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.528 -0.76 . . . . 15.0 109.518 -178.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 33.3 tttm -70.96 116.28 44.8 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 116.128 -0.487 . . . . 15.0 109.927 -177.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . 0.942 ' HG2' ' HB3' ' A' ' 463' ' ' LEU . 11.1 Cg_endo -53.93 150.26 31.18 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 123.625 2.883 . . . . 15.0 112.657 -178.372 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -72.2 -20.09 61.63 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.518 -0.31 . . . . 15.0 111.433 -178.436 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.08 -21.22 33.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.489 0.662 . . . . 15.0 109.907 176.717 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . 0.942 ' HB3' ' HG2' ' A' ' 460' ' ' PRO . 29.3 tp -119.98 30.77 6.84 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.184 -0.917 . . . . 15.0 109.269 -179.319 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.242 0.665 0 CA-C-N 115.362 -0.836 . . . . 15.0 110.542 -177.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.831 0 N-CA-C 111.566 -0.613 . . . . 15.0 111.566 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -69.5 105.69 2.72 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 108.933 -0.766 . . . . 15.0 108.933 173.229 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 430' ' ' THR . . . . . 0.466 ' HA ' ' OE1' ' A' ' 437' ' ' GLU . 1.6 p -46.56 99.4 0.02 OUTLIER 'General case' 0 C--O 1.234 0.24 0 N-CA-C 113.9 1.074 . . . . 15.0 113.9 -168.56 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . 62.73 97.24 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 114.989 -1.005 . . . . 15.0 112.303 175.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . 0.406 HG23 HD12 ' A' ' 463' ' ' LEU . 16.3 m -130.7 116.2 33.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 121.144 0.497 . . . . 15.0 110.776 177.694 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 3.8 m 59.59 -136.06 0.78 Allowed 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.757 -0.656 . . . . 15.0 111.147 175.391 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . 0.444 ' O ' ' HA ' ' A' ' 449' ' ' ASN . 9.6 mm-40 -42.62 -44.13 4.1 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 114.815 -1.084 . . . . 15.0 112.999 179.204 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 79.5 m95 -94.47 116.7 29.1 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.243 0.544 . . . . 15.0 111.675 -170.06 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 2.9 m -107.25 144.1 34.54 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.643 -0.708 . . . . 15.0 109.558 175.266 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . 0.466 ' OE1' ' HA ' ' A' ' 430' ' ' THR . 50.1 mt-10 -110.12 125.27 52.82 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.978 0.418 . . . . 15.0 111.354 -176.596 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . 0.463 ' O ' ' HA ' ' A' ' 445' ' ' THR . 77.7 m-85 -129.73 134.35 47.57 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.598 -0.728 . . . . 15.0 110.064 176.244 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 0.819 ' HD3' ' C ' ' A' ' 444' ' ' LYS . 4.9 tppp? -91.53 139.34 30.8 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.105 -0.498 . . . . 15.0 109.77 178.149 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 42.6 p -89.44 150.67 22.4 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.704 -0.68 . . . . 15.0 109.847 179.168 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -52.87 -19.72 2.75 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 112.925 0.713 . . . . 15.0 112.925 -178.642 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -89.07 2.75 53.62 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-O 121.381 0.61 . . . . 15.0 110.538 177.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . 0.46 ' O ' ' HG3' ' A' ' 444' ' ' LYS . . . 90.08 42.32 5.33 Favored Glycine 0 N--CA 1.45 -0.43 0 N-CA-C 115.99 1.156 . . . . 15.0 115.99 166.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.819 ' C ' ' HD3' ' A' ' 439' ' ' LYS . 4.3 mptt -148.24 153.9 39.35 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 117.992 0.896 . . . . 15.0 112.425 168.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 445' ' ' THR . . . . . 0.503 HG22 ' HE3' ' A' ' 439' ' ' LYS . 1.0 OUTLIER -91.8 141.07 29.06 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.78 -0.645 . . . . 15.0 112.216 -177.297 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 54.1 p90 -114.45 141.24 47.94 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.873 -0.788 . . . . 15.0 108.873 172.409 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . 0.43 ' OH ' ' HE2' ' A' ' 459' ' ' LYS . 49.5 m-85 -97.1 123.52 40.87 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.192 -0.458 . . . . 15.0 110.418 -174.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . 0.465 ' CD2' ' HB3' ' A' ' 455' ' ' SER . 20.0 t80 -125.4 125.65 43.73 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.238 -0.437 . . . . 15.0 110.838 -173.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.508 ' HB3' ' OG1' ' A' ' 452' ' ' THR . 46.3 t-20 -96.67 128.33 43.51 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.165 -1.05 . . . . 15.0 108.165 172.675 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 48.4 m-80 -78.98 -46.57 17.99 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 112.948 0.721 . . . . 15.0 112.948 -171.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 38.7 mtm180 -90.09 -1.7 57.99 Favored 'General case' 0 N--CA 1.463 0.194 0 C-N-CA 118.362 -1.335 . . . . 15.0 112.58 -173.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 452' ' ' THR . . . . . 0.508 ' OG1' ' HB3' ' A' ' 449' ' ' ASN . 68.4 p -91.4 -34.46 14.85 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.712 0.768 . . . . 15.0 109.1 160.118 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 453' ' ' ASP . . . . . . . . . . . . . 30.6 t70 67.93 57.85 0.5 Allowed 'General case' 0 C--O 1.234 0.263 0 CA-C-N 113.569 -1.65 . . . . 15.0 109.925 -174.138 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . 0.486 ' HG2' ' HB3' ' A' ' 449' ' ' ASN . 13.0 pt-20 -127.78 145.77 50.81 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.055 -0.975 . . . . 15.0 110.277 -179.68 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 455' ' ' SER . . . . . 0.465 ' HB3' ' CD2' ' A' ' 448' ' ' TYR . 15.3 p -121.65 121.66 37.86 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.195 -0.457 . . . . 15.0 110.056 177.297 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 13.2 t -134.01 150.14 51.23 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.21 0.529 . . . . 15.0 111.022 -177.592 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 87.2 m95 -100.15 2.13 42.73 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.939 -0.573 . . . . 15.0 110.293 178.049 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -100.96 132.9 46.15 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.226 -0.657 . . . . 15.0 109.226 177.534 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . 0.472 ' HA ' ' HD2' ' A' ' 460' ' ' PRO . 36.5 ttmt -75.56 118.34 70.15 Favored Pre-proline 0 C--N 1.324 -0.528 0 N-CA-C 112.746 0.647 . . . . 15.0 112.746 -168.237 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . 0.617 ' HG2' ' HB3' ' A' ' 463' ' ' LEU . 2.0 Cg_endo -47.13 150.26 3.14 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 124.337 3.358 . . . . 15.0 112.904 172.079 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -63.07 -34.92 78.62 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.175 -0.466 . . . . 15.0 111.004 -178.636 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -79.81 -12.32 59.78 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.7 -0.682 . . . . 15.0 111.457 -177.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . 0.617 ' HB3' ' HG2' ' A' ' 460' ' ' PRO . 21.6 tp -114.62 4.06 15.0 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.183 0.516 . . . . 15.0 110.125 -175.51 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . 0.673 ' HB2' ' HZ2' ' A' ' 464' ' ' LYS . 4.6 ttmp? . . . . . 0 C--O 1.245 0.845 0 CA-C-O 118.348 -0.834 . . . . 15.0 110.097 -179.573 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.796 0 N-CA-C 112.179 -0.368 . . . . 15.0 112.179 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -167.38 146.74 5.11 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 110.1 -0.333 . . . . 15.0 110.1 -179.124 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 6.0 m -125.38 47.07 2.24 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.733 0.778 . . . . 15.0 109.822 177.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . 0.65 ' HA ' ' OE1' ' A' ' 434' ' ' GLU . . . -84.45 82.27 8.47 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.41 -0.814 . . . . 15.0 109.587 178.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 47.6 t -137.64 121.33 21.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.373 -0.83 . . . . 15.0 111.028 -178.063 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 41.9 m 63.64 25.39 14.27 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 112.998 0.74 . . . . 15.0 112.998 169.473 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . 0.65 ' OE1' ' HA ' ' A' ' 431' ' ' ALA . 5.4 pt-20 -89.01 -1.19 57.99 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.044 0.449 . . . . 15.0 110.55 176.369 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 70.3 m95 -105.51 126.63 52.34 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.469 -0.787 . . . . 15.0 110.677 -178.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 3.0 m -117.36 144.54 44.82 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.249 -0.432 . . . . 15.0 109.842 175.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -99.97 125.54 46.01 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.125 0.488 . . . . 15.0 110.379 -176.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . 0.439 ' HB2' ' CZ ' ' A' ' 446' ' ' TYR . 76.8 m-85 -122.39 150.02 43.0 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.717 -0.674 . . . . 15.0 109.684 177.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 0.852 ' HD2' ' N ' ' A' ' 444' ' ' LYS . 3.4 tppp? -103.71 136.13 43.98 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.872 0.368 . . . . 15.0 111.018 179.359 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 440' ' ' THR . . . . . 0.484 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 20.6 p -89.95 150.26 22.24 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.998 -0.546 . . . . 15.0 109.841 173.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -63.92 -0.66 1.16 Allowed 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 113.464 0.913 . . . . 15.0 113.464 -174.51 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -96.25 1.52 52.17 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 122.021 -0.425 . . . . 15.0 110.133 175.313 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.01 54.7 2.12 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.947 -0.644 . . . . 15.0 112.674 177.618 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.852 ' N ' ' HD2' ' A' ' 439' ' ' LYS . 35.3 mttp -147.47 132.24 17.96 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 115.301 1.593 . . . . 15.0 115.301 -177.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 445' ' ' THR . . . . . 0.655 HG22 ' HE3' ' A' ' 439' ' ' LYS . 0.7 OUTLIER -90.04 141.27 28.84 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 116.125 -0.489 . . . . 15.0 111.068 176.003 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . 0.45 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 51.8 p90 -140.82 148.72 41.02 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.791 -0.448 . . . . 15.0 109.791 178.646 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 57.1 m-85 -99.7 121.03 40.64 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.565 0.698 . . . . 15.0 111.043 -176.333 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 18.0 t80 -108.42 117.42 34.13 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 114.872 -1.058 . . . . 15.0 109.567 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.669 ' HB3' ' OG1' ' A' ' 452' ' ' THR . 39.2 t-20 -91.39 128.61 37.28 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 108.587 -0.894 . . . . 15.0 108.587 174.515 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 46.1 m-80 -72.1 -47.5 50.84 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 115.895 -0.593 . . . . 15.0 112.243 -175.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 78.1 mtm180 -90.1 -1.91 58.02 Favored 'General case' 0 C--N 1.332 -0.154 0 C-N-CA 118.818 -1.153 . . . . 15.0 112.596 -173.255 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 452' ' ' THR . . . . . 0.702 ' HG1' ' HG2' ' A' ' 454' ' ' GLU . 81.3 p -91.12 -39.55 12.09 Favored 'General case' 0 CA--C 1.515 -0.4 0 N-CA-C 108.722 -0.844 . . . . 15.0 108.722 159.47 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 453' ' ' ASP . . . . . . . . . . . . . 31.2 t70 75.09 36.28 0.54 Allowed 'General case' 0 C--N 1.344 0.366 0 CA-C-N 113.334 -1.757 . . . . 15.0 109.518 -175.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . 0.702 ' HG2' ' HG1' ' A' ' 452' ' ' THR . 11.7 pt-20 -114.12 149.92 34.89 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.055 -0.52 . . . . 15.0 111.016 -178.164 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 5.1 m -119.52 114.54 22.42 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.852 -0.613 . . . . 15.0 109.787 176.451 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 7.0 t -140.49 150.18 43.43 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.153 0.501 . . . . 15.0 111.635 -177.438 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.471 ' HZ3' ' HB3' ' A' ' 444' ' ' LYS . 8.0 m95 -85.92 -3.27 58.88 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.454 -0.793 . . . . 15.0 109.975 178.824 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.7 140.6 35.51 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 108.319 -0.993 . . . . 15.0 108.319 -178.793 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . 0.448 ' HA ' ' HD2' ' A' ' 460' ' ' PRO . 42.9 tttm -84.49 116.99 67.65 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-O 120.898 0.38 . . . . 15.0 111.423 -169.568 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . 0.822 ' HG2' ' HB3' ' A' ' 463' ' ' LEU . 9.4 Cg_endo -53.24 145.07 45.72 Favored 'Trans proline' 0 C--N 1.343 0.27 0 C-N-CA 123.589 2.859 . . . . 15.0 112.674 177.733 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 33.2 mm-40 -78.95 -15.84 57.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.309 -0.405 . . . . 15.0 111.661 -178.527 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -88.75 -16.54 31.93 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.395 0.616 . . . . 15.0 110.239 175.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . 0.822 ' HB3' ' HG2' ' A' ' 460' ' ' PRO . 31.0 tp -119.88 35.06 4.97 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.147 -1.057 . . . . 15.0 108.147 176.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 85.7 tttt . . . . . 0 C--O 1.245 0.861 0 CA-C-N 114.882 -1.053 . . . . 15.0 110.731 -174.74 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.678 0 N-CA-C 111.485 -0.646 . . . . 15.0 111.485 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . 0.661 ' HB1' HD13 ' A' ' 463' ' ' LEU . . . -119.12 154.04 33.87 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.364 -0.606 . . . . 15.0 109.364 175.271 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 430' ' ' THR . . . . . 0.777 HG23 ' HA ' ' A' ' 433' ' ' SER . 5.1 m -94.78 -15.76 23.55 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.908 0.385 . . . . 15.0 110.965 -178.439 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . 0.672 ' HB3' ' HB2' ' A' ' 435' ' ' TRP . . . 44.43 74.99 0.11 Allowed 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.468 -0.787 . . . . 15.0 112.393 177.766 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 34.2 m 42.93 41.67 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 124.132 0.973 . . . . 15.0 112.434 -177.259 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 433' ' ' SER . . . . . 0.777 ' HA ' HG23 ' A' ' 430' ' ' THR . 17.4 m 54.73 12.68 0.6 Allowed 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 113.095 -1.866 . . . . 15.0 113.746 -179.363 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . 0.713 ' HG2' ' ND2' ' A' ' 449' ' ' ASN . 20.7 tt0 -90.61 -36.06 14.63 Favored 'General case' 0 C--N 1.304 -1.373 0 CA-C-N 115.936 -0.575 . . . . 15.0 111.272 -176.295 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.672 ' HB2' ' HB3' ' A' ' 431' ' ' ALA . 89.7 m95 -117.57 148.45 41.89 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.896 -0.593 . . . . 15.0 111.043 -173.567 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 3.9 m -150.01 145.72 26.59 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.166 -0.679 . . . . 15.0 109.166 171.479 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -112.41 127.65 56.08 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.508 0.671 . . . . 15.0 110.247 179.24 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . 0.523 ' O ' ' HA ' ' A' ' 445' ' ' THR . 98.9 m-85 -115.8 142.79 46.3 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.008 -0.542 . . . . 15.0 110.167 -178.104 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 0.825 ' HZ3' HG22 ' A' ' 445' ' ' THR . 0.0 OUTLIER -89.87 128.51 36.2 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.404 -0.591 . . . . 15.0 109.404 178.347 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 16.4 p -89.58 150.92 22.19 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 115.299 -0.864 . . . . 15.0 110.046 -178.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -47.81 -20.49 0.3 Allowed 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 113.336 0.865 . . . . 15.0 113.336 -178.69 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -81.17 -3.62 52.76 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 121.09 0.471 . . . . 15.0 111.049 177.055 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . 0.434 ' C ' ' HD2' ' A' ' 439' ' ' LYS . . . 90.22 40.31 5.82 Favored Glycine 0 N--CA 1.449 -0.49 0 N-CA-C 114.696 0.639 . . . . 15.0 114.696 171.791 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.784 ' C ' ' HD3' ' A' ' 439' ' ' LYS . 41.6 mmtm -145.32 153.68 41.52 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 117.648 0.724 . . . . 15.0 112.627 173.148 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 445' ' ' THR . . . . . 0.825 HG22 ' HZ3' ' A' ' 439' ' ' LYS . 0.6 OUTLIER -92.83 140.58 29.36 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.854 -0.612 . . . . 15.0 111.248 176.701 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 43.1 p90 -122.23 143.81 49.36 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.603 -0.888 . . . . 15.0 108.603 176.386 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -90.04 114.44 26.32 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-O 121.332 0.587 . . . . 15.0 110.21 -174.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -110.88 122.22 47.32 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.326 -0.852 . . . . 15.0 111.031 -175.362 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.713 ' ND2' ' HG2' ' A' ' 434' ' ' GLU . 24.3 t-20 -95.26 127.48 41.34 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.339 -0.986 . . . . 15.0 108.339 169.597 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 41.9 m-80 -70.96 -48.23 54.55 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 112.852 0.686 . . . . 15.0 112.852 -172.251 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 77.9 mtm180 -90.48 -1.33 57.89 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 118.604 -1.238 . . . . 15.0 112.612 -171.659 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 452' ' ' THR . . . . . 0.612 ' OG1' ' HB3' ' A' ' 449' ' ' ASN . 73.6 p -91.0 -38.48 12.8 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.594 0.711 . . . . 15.0 109.142 159.433 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 453' ' ' ASP . . . . . . . . . . . . . 31.9 t70 72.09 37.33 1.01 Allowed 'General case' 0 C--N 1.343 0.324 0 CA-C-N 113.683 -1.599 . . . . 15.0 109.384 -173.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . 0.451 ' HG2' ' HG1' ' A' ' 452' ' ' THR . 11.8 pt-20 -101.22 137.12 39.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.496 -0.774 . . . . 15.0 110.876 -179.267 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 18.6 m -106.49 105.44 15.48 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.221 -0.659 . . . . 15.0 109.221 173.249 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 15.3 t -120.87 150.05 41.65 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.87 0.367 . . . . 15.0 110.725 -175.102 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 78.8 m95 -105.16 5.68 32.47 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.106 0.479 . . . . 15.0 110.231 -179.361 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -97.87 134.32 41.17 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.24 -0.652 . . . . 15.0 109.24 177.591 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . 0.959 ' HD3' ' HA ' ' A' ' 464' ' ' LYS . 27.5 ttmt -75.79 118.87 74.21 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.012 0.434 . . . . 15.0 112.061 -173.292 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . 0.503 ' HD2' ' HB3' ' A' ' 463' ' ' LEU . 14.3 Cg_exo -70.28 149.37 63.48 Favored 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 123.418 2.746 . . . . 15.0 111.852 176.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 3.3 pm0 -67.3 -19.16 65.44 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.106 -0.497 . . . . 15.0 112.211 -176.28 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -91.79 -8.16 47.51 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.81 0.338 . . . . 15.0 110.827 176.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . 0.661 HD13 ' HB1' ' A' ' 429' ' ' ALA . 32.1 tp -119.81 9.11 11.25 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.25 -0.432 . . . . 15.0 110.948 -176.259 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . 0.959 ' HA ' ' HD3' ' A' ' 459' ' ' LYS . 1.1 pptp? . . . . . 0 C--O 1.248 0.994 0 CA-C-O 119.089 -0.482 . . . . 15.0 112.059 -177.425 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.759 0 N-CA-C 112.239 -0.344 . . . . 15.0 112.239 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -97.83 145.27 26.57 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.753 0.311 . . . . 15.0 110.643 179.526 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 11.2 t 179.64 -20.48 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.901 -0.59 . . . . 15.0 110.596 -178.635 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . 0.425 ' HB1' HD12 ' A' ' 463' ' ' LEU . . . 61.78 110.97 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 115.337 -0.847 . . . . 15.0 111.195 -176.133 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 5.2 t -82.43 47.96 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 122.245 1.021 . . . . 15.0 110.701 -176.134 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 49.2 m 50.82 15.93 0.28 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 113.709 -1.587 . . . . 15.0 113.249 -179.075 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -90.29 -21.28 22.14 Favored 'General case' 0 C--N 1.311 -1.1 0 CA-C-N 115.442 -0.799 . . . . 15.0 110.391 178.474 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 92.0 m95 -107.58 112.39 25.1 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.526 -0.761 . . . . 15.0 109.78 177.154 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 8.9 m -110.86 149.55 30.44 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.235 -0.439 . . . . 15.0 110.494 -178.598 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -103.1 134.74 46.02 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.236 -0.438 . . . . 15.0 111.045 -179.572 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . 0.487 ' O ' ' HA ' ' A' ' 445' ' ' THR . 72.6 m-85 -128.57 124.84 36.97 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.867 -0.79 . . . . 15.0 108.867 171.549 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 0.793 ' HD3' ' C ' ' A' ' 444' ' ' LYS . 4.9 tppp? -89.79 121.99 32.45 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.996 0.427 . . . . 15.0 110.072 -177.86 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 3.3 p -89.85 150.42 22.23 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.786 -0.643 . . . . 15.0 110.12 178.011 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -48.41 -19.56 0.32 Allowed 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 114.263 1.209 . . . . 15.0 114.263 -175.216 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -74.33 -4.28 35.37 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.167 0.508 . . . . 15.0 110.381 177.436 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.2 37.38 6.71 Favored Glycine 0 N--CA 1.445 -0.705 0 CA-C-N 115.617 -0.72 . . . . 15.0 114.302 172.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.793 ' C ' ' HD3' ' A' ' 439' ' ' LYS . 29.8 mtmm -152.1 156.98 40.95 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 117.247 0.523 . . . . 15.0 112.299 173.011 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 445' ' ' THR . . . . . 0.493 ' N ' ' HD3' ' A' ' 439' ' ' LYS . 18.9 p -92.54 139.01 31.02 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.717 -0.674 . . . . 15.0 111.304 177.77 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 53.3 p90 -103.81 140.14 38.06 Favored 'General case' 0 N--CA 1.446 -0.641 0 N-CA-C 108.197 -1.038 . . . . 15.0 108.197 169.272 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -89.81 118.38 29.35 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-O 121.536 0.684 . . . . 15.0 110.712 -173.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 36.9 t80 -112.89 117.92 33.45 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 114.86 -1.063 . . . . 15.0 110.001 -175.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.5 ' HB3' ' OG1' ' A' ' 452' ' ' THR . 22.9 t-20 -90.07 129.56 36.36 Favored 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 108.525 -0.917 . . . . 15.0 108.525 174.442 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 52.5 m-80 -78.41 -46.51 19.68 Favored 'General case' 0 C--N 1.311 -1.07 0 N-CA-C 112.466 0.543 . . . . 15.0 112.466 -174.363 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 22.0 mtm180 -90.78 -1.66 57.84 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 118.409 -1.316 . . . . 15.0 113.017 -172.008 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 452' ' ' THR . . . . . 0.607 ' HG1' ' HG2' ' A' ' 454' ' ' GLU . 73.0 p -91.55 -38.54 12.44 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 122.027 0.918 . . . . 15.0 109.184 159.016 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 453' ' ' ASP . . . . . . . . . . . . . 19.6 t70 69.47 71.46 0.25 Allowed 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 112.887 -1.961 . . . . 15.0 109.946 -171.181 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . 0.607 ' HG2' ' HG1' ' A' ' 452' ' ' THR . 12.3 pt-20 -144.32 149.97 37.07 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.476 -0.784 . . . . 15.0 111.099 179.616 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 8.9 m -116.84 117.04 28.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.066 -0.515 . . . . 15.0 110.347 177.017 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 9.9 t -133.07 146.4 51.64 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 110.211 -0.292 . . . . 15.0 110.211 -179.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 90.4 m95 -92.16 -3.61 55.37 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.871 0.367 . . . . 15.0 111.024 -179.667 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -92.09 143.3 26.6 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.82 -0.437 . . . . 15.0 109.82 178.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . 0.502 ' HE2' ' O ' ' A' ' 463' ' ' LEU . 64.2 tttt -74.31 120.56 82.04 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-N 116.158 -0.474 . . . . 15.0 111.226 -173.712 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . 0.585 ' HG2' ' HB3' ' A' ' 463' ' ' LEU . 6.8 Cg_endo -51.82 144.56 34.69 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 123.93 3.086 . . . . 15.0 112.819 176.632 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . 0.461 ' H ' ' NE2' ' A' ' 461' ' ' GLN . 0.3 OUTLIER -64.81 -21.68 66.83 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 116.118 -0.492 . . . . 15.0 111.889 -178.869 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -88.43 -2.07 58.4 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.409 -0.359 . . . . 15.0 111.331 179.181 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . 0.585 ' HB3' ' HG2' ' A' ' 460' ' ' PRO . 54.5 tp -120.29 3.21 10.85 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 111.639 0.237 . . . . 15.0 111.639 -177.61 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . 0.46 ' HD2' ' HD3' ' A' ' 459' ' ' LYS . 13.9 mmmm . . . . . 0 C--O 1.251 1.151 0 CA-C-O 117.959 -1.02 . . . . 15.0 111.664 -175.341 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.804 0 N-CA-C 112.619 -0.193 . . . . 15.0 112.619 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -91.58 142.43 27.64 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.922 0.361 . . . . 15.0 110.239 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 430' ' ' THR . . . . . 0.421 ' H ' ' CD ' ' A' ' 437' ' ' GLU . 0.3 OUTLIER -94.46 -31.52 13.92 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.59 0.709 . . . . 15.0 109.948 -179.031 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . 0.411 ' HA ' ' HA ' ' A' ' 436' ' ' THR . . . 52.84 77.65 0.16 Allowed 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 113.855 -1.52 . . . . 15.0 110.629 -175.576 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . 0.841 HG12 HD12 ' A' ' 463' ' ' LEU . 3.0 p -75.54 92.32 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.585 0.707 . . . . 15.0 110.107 178.156 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 21.9 t 62.01 -135.79 0.52 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.313 -0.858 . . . . 15.0 109.902 -179.279 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -64.13 -10.63 23.84 Favored 'General case' 0 C--N 1.305 -1.339 0 CA-C-N 114.599 -1.182 . . . . 15.0 113.081 178.621 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.479 ' HB2' HG13 ' A' ' 432' ' ' VAL . 89.1 m95 -103.56 129.23 50.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.763 0.316 . . . . 15.0 110.821 -179.283 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 436' ' ' THR . . . . . 0.411 ' HA ' ' HA ' ' A' ' 431' ' ' ALA . 3.9 m -120.91 145.84 47.25 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.753 -0.462 . . . . 15.0 109.753 175.357 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . 0.421 ' CD ' ' H ' ' A' ' 430' ' ' THR . 0.9 OUTLIER -111.38 130.05 55.81 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.411 0.624 . . . . 15.0 111.081 -177.545 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 84.6 m-85 -125.45 144.28 50.6 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.588 -0.733 . . . . 15.0 109.63 179.015 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 0.822 ' HD2' ' N ' ' A' ' 444' ' ' LYS . 0.0 OUTLIER -105.87 136.97 44.56 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.015 0.436 . . . . 15.0 110.965 -178.855 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 14.1 p -89.84 150.21 22.33 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.637 -0.711 . . . . 15.0 109.471 172.399 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -66.02 -1.68 3.33 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 113.261 0.838 . . . . 15.0 113.261 -171.624 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 30.5 p-10 -96.02 5.32 51.44 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.98 0.419 . . . . 15.0 110.629 179.384 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.07 51.23 2.85 Favored Glycine 0 N--CA 1.452 -0.292 0 CA-C-N 115.953 -0.567 . . . . 15.0 113.016 175.338 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.822 ' N ' ' HD2' ' A' ' 439' ' ' LYS . 23.0 mtmm -150.93 130.84 13.3 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 115.023 1.49 . . . . 15.0 115.023 178.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.47 150.18 21.93 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-O 121.078 0.466 . . . . 15.0 110.62 175.605 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . 0.43 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 55.0 p90 -139.31 145.11 38.69 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.508 -0.769 . . . . 15.0 109.25 -179.717 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -102.79 120.37 40.46 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.458 0.647 . . . . 15.0 111.02 -173.563 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 39.9 t80 -110.04 122.13 46.88 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.034 -0.985 . . . . 15.0 110.33 -179.501 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.669 ' HB3' ' OG1' ' A' ' 452' ' ' THR . 23.3 t-20 -89.93 128.03 36.14 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.868 -0.79 . . . . 15.0 108.868 173.752 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 44.8 m-80 -73.18 -43.32 61.61 Favored 'General case' 0 C--N 1.314 -0.938 0 N-CA-C 112.472 0.545 . . . . 15.0 112.472 -175.173 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 65.0 mtm180 -90.18 -1.9 58.0 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 118.61 -1.236 . . . . 15.0 112.416 -172.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 452' ' ' THR . . . . . 0.869 ' HG1' ' HG2' ' A' ' 454' ' ' GLU . 68.9 p -91.55 -40.31 11.43 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.486 0.66 . . . . 15.0 109.718 159.47 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 453' ' ' ASP . . . . . . . . . . . . . 33.1 t70 75.52 37.46 0.43 Allowed 'General case' 0 C--N 1.344 0.335 0 CA-C-N 113.455 -1.702 . . . . 15.0 109.551 -172.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . 0.869 ' HG2' ' HG1' ' A' ' 452' ' ' THR . 14.0 pt-20 -117.96 137.5 52.8 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.885 -0.598 . . . . 15.0 111.015 178.535 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 17.0 p -112.22 118.66 35.92 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.963 -0.562 . . . . 15.0 110.078 176.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 9.0 t -130.4 150.06 51.79 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.983 0.42 . . . . 15.0 111.145 -176.166 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.51 ' HZ3' ' HB3' ' A' ' 444' ' ' LYS . 56.8 m95 -90.58 -2.22 57.88 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.279 0.561 . . . . 15.0 109.643 177.664 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -93.67 141.01 28.97 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.307 -0.861 . . . . 15.0 109.399 -176.012 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . 0.724 ' HD3' ' HA ' ' A' ' 464' ' ' LYS . 19.9 ttmm -75.69 119.02 75.21 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-O 120.968 0.413 . . . . 15.0 111.934 -173.431 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 459' ' ' LYS . 15.7 Cg_exo -69.1 149.3 70.95 Favored 'Trans proline' 0 C--N 1.343 0.258 0 C-N-CA 123.021 2.481 . . . . 15.0 111.306 175.242 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 59.3 tp60 -61.26 -32.46 72.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.52 -0.309 . . . . 15.0 111.525 -177.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -73.05 -11.77 60.67 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.996 0.427 . . . . 15.0 111.06 178.608 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . 0.841 HD12 HG12 ' A' ' 432' ' ' VAL . 22.1 tp -119.99 22.54 11.44 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.137 0.494 . . . . 15.0 109.892 -179.036 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . 0.724 ' HA ' ' HD3' ' A' ' 459' ' ' LYS . 51.4 tptt . . . . . 0 C--O 1.251 1.155 0 CA-C-N 115.599 -0.728 . . . . 15.0 110.674 177.584 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.505 0 N-CA-C 112.74 -0.144 . . . . 15.0 112.74 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . 0.406 ' O ' HD12 ' A' ' 463' ' ' LEU . . . -148.23 163.11 38.01 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.109 -0.7 . . . . 15.0 109.109 176.424 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 25.3 m -59.59 119.72 8.08 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.852 0.358 . . . . 15.0 110.573 -179.582 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . 0.468 ' O ' ' HG2' ' A' ' 434' ' ' GLU . . . -78.83 67.38 4.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.969 -0.56 . . . . 15.0 111.81 -175.714 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 2.7 t 43.45 39.01 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 CA-C-O 122.619 1.199 . . . . 15.0 112.123 175.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 23.0 t 43.87 19.39 0.02 OUTLIER 'General case' 0 C--N 1.308 -1.198 0 CA-C-N 112.754 -2.021 . . . . 15.0 114.183 -176.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . 0.468 ' HG2' ' O ' ' A' ' 431' ' ' ALA . 13.5 pt-20 -90.46 -24.55 20.68 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-O 121.101 0.477 . . . . 15.0 110.746 179.624 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.423 ' HB2' ' HB1' ' A' ' 431' ' ' ALA . 94.0 m95 -107.02 124.19 49.28 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.518 -0.765 . . . . 15.0 109.837 175.325 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 2.8 m -122.22 144.68 48.82 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.217 -0.66 . . . . 15.0 109.217 174.282 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -95.77 150.11 20.76 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 121.48 0.657 . . . . 15.0 109.362 178.276 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -137.24 150.12 47.63 Favored 'General case' 0 C--N 1.305 -1.342 0 CA-C-N 114.702 -1.136 . . . . 15.0 108.129 178.465 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 0.902 ' HD2' ' H ' ' A' ' 444' ' ' LYS . 0.1 OUTLIER -119.25 136.18 54.34 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.007 0.432 . . . . 15.0 111.618 -173.585 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 440' ' ' THR . . . . . 0.539 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 21.9 p -89.81 150.27 22.32 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.671 -0.695 . . . . 15.0 109.462 172.041 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -58.12 -14.96 7.86 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 113.572 0.953 . . . . 15.0 113.572 -172.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -89.78 0.63 56.89 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 122.078 -0.389 . . . . 15.0 111.481 -179.307 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.91 73.58 1.27 Allowed Glycine 0 C--O 1.23 -0.112 0 C-N-CA 120.757 -0.735 . . . . 15.0 112.383 177.09 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.902 ' H ' ' HD2' ' A' ' 439' ' ' LYS . 37.9 mttp -154.99 129.45 9.1 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 115.641 1.719 . . . . 15.0 115.641 -176.379 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 5.4 p -90.21 138.22 31.7 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 115.642 -0.708 . . . . 15.0 111.615 176.34 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 50.8 p90 -146.22 138.67 25.32 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 108.666 -0.864 . . . . 15.0 108.666 170.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 53.9 m-85 -105.26 126.31 51.96 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.376 0.607 . . . . 15.0 111.393 -170.122 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . 0.727 ' CD2' ' HB3' ' A' ' 455' ' ' SER . 19.0 t80 -111.92 124.43 52.35 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.024 -0.989 . . . . 15.0 109.734 -177.204 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.695 ' HB3' ' OG1' ' A' ' 452' ' ' THR . 20.4 t-20 -96.79 125.71 41.43 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 108.496 -0.927 . . . . 15.0 108.496 174.43 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 59.5 m-80 -74.6 -43.2 56.71 Favored 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 112.551 0.575 . . . . 15.0 112.551 -172.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 61.5 mtm180 -89.84 -2.05 58.12 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 118.994 -1.082 . . . . 15.0 112.604 -173.631 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 452' ' ' THR . . . . . 0.958 ' HG1' ' HG2' ' A' ' 454' ' ' GLU . 77.2 p -91.16 -35.37 14.59 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.503 0.668 . . . . 15.0 109.207 159.211 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 453' ' ' ASP . . . . . . . . . . . . . 35.5 t70 76.17 25.14 1.07 Allowed 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 113.363 -1.744 . . . . 15.0 110.011 -175.186 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . 0.958 ' HG2' ' HG1' ' A' ' 452' ' ' THR . 10.5 pt-20 -114.35 144.94 42.46 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.164 0.507 . . . . 15.0 111.18 -177.443 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 455' ' ' SER . . . . . 0.727 ' HB3' ' CD2' ' A' ' 448' ' ' TYR . 22.1 p -117.05 126.87 53.52 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.796 -0.638 . . . . 15.0 110.278 176.843 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 12.5 t -128.02 150.08 50.08 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.017 0.437 . . . . 15.0 110.688 -179.598 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 74.9 m95 -92.39 -1.43 57.03 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.317 0.58 . . . . 15.0 110.152 178.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -90.57 148.42 22.7 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.574 -0.739 . . . . 15.0 109.651 178.523 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 59.8 tttp -80.81 114.54 49.1 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-N 116.559 -0.291 . . . . 15.0 110.232 -179.234 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_exo -59.57 148.63 86.52 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 123.668 2.912 . . . . 15.0 113.033 -176.37 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . 0.452 ' HA ' ' HB2' ' A' ' 464' ' ' LYS . 9.5 mm100 -63.52 -30.68 71.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.833 -0.621 . . . . 15.0 111.693 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -78.6 -6.73 56.4 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.128 0.49 . . . . 15.0 110.825 178.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . 0.414 ' O ' ' HG ' ' A' ' 463' ' ' LEU . 34.4 tp -120.0 9.65 11.27 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.694 -0.684 . . . . 15.0 109.317 178.171 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . 0.452 ' HB2' ' HA ' ' A' ' 461' ' ' GLN . 16.3 tptp . . . . . 0 C--O 1.248 1.002 0 CA-C-N 115.627 -0.715 . . . . 15.0 111.342 -171.349 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.849 0 N-CA-C 112.065 -0.414 . . . . 15.0 112.065 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . 0.473 ' HA ' ' HB2' ' A' ' 437' ' ' GLU . . . -157.81 90.72 1.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.923 0.392 . . . . 15.0 110.193 176.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 2.3 m -97.96 134.5 40.99 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.278 -0.419 . . . . 15.0 110.787 -178.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -97.22 80.81 2.95 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.669 -0.493 . . . . 15.0 109.669 172.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 2.9 p -87.83 91.78 3.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.506 0.67 . . . . 15.0 110.327 -179.322 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 5.2 m 56.62 -134.46 1.29 Allowed 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.453 -0.794 . . . . 15.0 110.521 179.555 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . 0.467 ' O ' ' HA ' ' A' ' 449' ' ' ASN . 56.9 mm-40 -50.33 -32.31 16.82 Favored 'General case' 0 C--N 1.306 -1.292 0 CA-C-N 114.994 -1.003 . . . . 15.0 113.35 178.777 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.412 ' CD2' ' HB2' ' A' ' 449' ' ' ASN . 79.0 m95 -101.64 126.95 48.56 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.981 0.42 . . . . 15.0 111.378 -172.3 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 6.4 m -118.77 148.0 43.29 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.299 -0.41 . . . . 15.0 110.026 176.002 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . 0.473 ' HB2' ' HA ' ' A' ' 429' ' ' ALA . 46.3 mt-10 -91.63 132.81 36.07 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.44 -0.345 . . . . 15.0 111.32 -179.279 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . 0.489 ' O ' ' HA ' ' A' ' 445' ' ' THR . 87.9 m-85 -129.6 128.65 43.11 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.342 -0.614 . . . . 15.0 109.342 172.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 0.79 ' HD3' ' C ' ' A' ' 444' ' ' LYS . 4.4 tppp? -96.64 131.75 42.98 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.139 0.495 . . . . 15.0 111.041 -174.116 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 9.0 p -89.93 150.55 22.12 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.686 -0.688 . . . . 15.0 109.381 174.639 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -53.66 -16.06 1.47 Allowed 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 113.931 1.085 . . . . 15.0 113.931 -171.738 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . 0.441 ' OD2' ' HE2' ' A' ' 444' ' ' LYS . 9.3 p-10 -81.15 0.75 34.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.201 0.524 . . . . 15.0 110.257 177.72 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . 0.479 ' C ' ' HD2' ' A' ' 439' ' ' LYS . . . 90.24 40.12 5.86 Favored Glycine 0 N--CA 1.449 -0.498 0 CA-C-N 115.574 -0.739 . . . . 15.0 114.323 170.303 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.79 ' C ' ' HD3' ' A' ' 439' ' ' LYS . 35.0 mtmt -148.69 150.76 33.74 Favored 'General case' 0 N--CA 1.468 0.475 0 N-CA-C 113.239 0.829 . . . . 15.0 113.239 173.472 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 445' ' ' THR . . . . . 0.511 ' N ' ' HD3' ' A' ' 439' ' ' LYS . 2.0 p -97.33 141.97 29.77 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.497 -0.774 . . . . 15.0 112.237 -178.752 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 53.3 p90 -111.5 143.62 42.06 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.759 -0.83 . . . . 15.0 108.759 169.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . 0.426 ' CE1' ' HG2' ' A' ' 437' ' ' GLU . 42.3 m-85 -90.01 118.25 29.42 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.894 0.378 . . . . 15.0 110.646 -174.566 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 32.9 t80 -114.12 119.56 37.53 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.596 -0.729 . . . . 15.0 110.452 -175.476 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.578 ' HB3' ' OG1' ' A' ' 452' ' ' THR . 35.0 t-20 -94.5 133.62 37.92 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.697 -0.853 . . . . 15.0 108.697 175.388 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 50.7 m-80 -73.45 -53.94 9.47 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 112.964 0.727 . . . . 15.0 112.964 -174.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 38.8 mtm180 -90.17 -1.01 57.89 Favored 'General case' 0 N--CA 1.462 0.131 0 C-N-CA 118.729 -1.189 . . . . 15.0 112.469 -171.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 452' ' ' THR . . . . . 0.879 ' HG1' ' HG2' ' A' ' 454' ' ' GLU . 71.4 p -91.14 -36.98 13.66 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.725 -0.843 . . . . 15.0 108.725 159.083 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 453' ' ' ASP . . . . . . . . . . . . . 13.5 t70 68.47 45.95 1.08 Allowed 'General case' 0 C--N 1.338 0.099 0 CA-C-N 113.76 -1.564 . . . . 15.0 110.025 -178.163 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . 0.879 ' HG2' ' HG1' ' A' ' 452' ' ' THR . 13.1 pt-20 -129.88 144.82 51.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.523 -0.762 . . . . 15.0 110.747 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 48.5 p -112.18 123.54 50.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.972 -0.558 . . . . 15.0 110.544 178.479 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 10.0 t -119.86 150.11 40.98 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.084 0.469 . . . . 15.0 110.313 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 88.1 m95 -100.54 -1.44 35.57 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.967 -0.56 . . . . 15.0 110.377 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -109.82 150.84 27.79 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.828 -0.624 . . . . 15.0 109.364 175.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -59.24 130.18 86.93 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.345 0.593 . . . . 15.0 112.599 -175.222 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -61.09 150.25 85.22 Favored 'Trans proline' 0 C--O 1.234 0.281 0 C-N-CA 123.56 2.84 . . . . 15.0 111.969 174.669 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . 0.484 ' OE1' ' HE3' ' A' ' 464' ' ' LYS . 18.6 mm-40 -56.07 -32.55 64.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 15.0 111.66 -177.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -80.41 -10.16 59.75 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.321 -0.4 . . . . 15.0 111.835 -179.416 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 29.5 tp -106.17 0.2 25.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.121 0.486 . . . . 15.0 110.666 -177.186 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . 0.484 ' HE3' ' OE1' ' A' ' 461' ' ' GLN . 2.2 pptp? . . . . . 0 C--O 1.248 0.983 0 CA-C-O 118.463 -0.78 . . . . 15.0 110.037 178.565 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 . . . . . 0 CA--C 1.536 0.438 0 N-CA-C 113.357 0.873 . . . . 15.0 113.357 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 92.5 m95 -100.35 128.96 46.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.907 0.384 . . . . 15.0 111.051 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 4.0 m -144.24 145.44 32.05 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 109.388 -0.597 . . . . 15.0 109.388 172.75 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 437' ' ' GLU . . . . . 0.549 ' HB3' ' CD1' ' A' ' 447' ' ' TYR . 1.4 pm0 -122.41 144.05 49.29 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.254 0.549 . . . . 15.0 111.321 -179.304 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 438' ' ' TYR . . . . . 0.421 ' O ' ' HA ' ' A' ' 445' ' ' THR . 58.2 m-85 -124.91 141.58 52.03 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.517 -0.765 . . . . 15.0 108.984 176.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 0.795 ' HD3' ' C ' ' A' ' 444' ' ' LYS . 5.2 tppp? -89.94 128.96 36.34 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.096 0.474 . . . . 15.0 110.016 179.344 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 26.8 p -89.64 150.71 22.25 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.464 -0.789 . . . . 15.0 109.896 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -44.89 -29.89 0.9 Allowed 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 113.622 0.971 . . . . 15.0 113.622 -176.625 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -73.96 -0.44 16.21 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 120.956 0.407 . . . . 15.0 111.099 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 443' ' ' GLY . . . . . 0.485 ' C ' ' HD2' ' A' ' 439' ' ' LYS . . . 90.24 37.61 6.62 Favored Glycine 0 N--CA 1.445 -0.712 0 CA-C-N 115.872 -0.604 . . . . 15.0 113.959 171.456 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.795 ' C ' ' HD3' ' A' ' 439' ' ' LYS . 39.0 mttp -148.06 150.69 34.38 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 113.2 0.815 . . . . 15.0 113.2 176.527 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 445' ' ' THR . . . . . 0.499 ' N ' ' HD3' ' A' ' 439' ' ' LYS . 1.3 p -93.09 141.19 28.69 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.613 -0.721 . . . . 15.0 112.16 -179.206 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 44.4 p90 -113.99 133.49 55.46 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.018 -0.734 . . . . 15.0 109.018 170.659 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 447' ' ' TYR . . . . . 0.549 ' CD1' ' HB3' ' A' ' 437' ' ' GLU . 55.3 m-85 -97.15 116.85 30.11 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.321 -0.854 . . . . 15.0 110.345 -172.759 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -110.62 123.67 50.42 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.216 -0.902 . . . . 15.0 110.183 -173.668 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.548 ' HB3' ' OG1' ' A' ' 452' ' ' THR . 23.8 t-20 -99.49 125.38 45.22 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 108.492 -0.929 . . . . 15.0 108.492 171.75 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 45.8 m-80 -74.62 -45.08 47.31 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 113.134 0.79 . . . . 15.0 113.134 -171.307 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 15.2 mtm180 -90.31 -1.76 57.95 Favored 'General case' 0 C--N 1.333 -0.138 0 C-N-CA 118.249 -1.38 . . . . 15.0 112.334 -173.771 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 452' ' ' THR . . . . . 0.548 ' OG1' ' HB3' ' A' ' 449' ' ' ASN . 69.2 p -91.46 -36.54 13.7 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.268 -0.641 . . . . 15.0 109.268 158.83 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 453' ' ' ASP . . . . . . . . . . . . . 32.4 t70 78.57 20.94 0.81 Allowed 'General case' 0 C--N 1.343 0.317 0 CA-C-N 113.71 -1.586 . . . . 15.0 109.804 -174.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -94.54 149.93 20.75 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.158 -0.474 . . . . 15.0 110.786 -175.077 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 13.0 m -124.62 116.14 21.93 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.001 -0.545 . . . . 15.0 109.932 176.065 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 11.2 t -127.49 149.94 49.89 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.413 -0.358 . . . . 15.0 110.241 -177.723 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 81.3 m95 -94.29 6.5 48.47 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.03 0.443 . . . . 15.0 110.784 -177.817 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -102.92 140.11 37.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.968 -0.56 . . . . 15.0 109.917 176.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 459' ' ' LYS . . . . . 1.016 ' HE3' ' HG ' ' A' ' 463' ' ' LEU . 45.0 tptt -69.78 119.0 68.46 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 115.716 -0.675 . . . . 15.0 110.29 -177.583 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 460' ' ' PRO . . . . . 0.67 ' HG2' ' HB3' ' A' ' 463' ' ' LEU . 5.7 Cg_endo -51.92 143.96 37.78 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 123.4 2.733 . . . . 15.0 112.245 176.908 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 461' ' ' GLN . . . . . 0.438 ' H ' ' HG3' ' A' ' 461' ' ' GLN . 1.1 pp0? -74.19 -10.46 59.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.991 0.424 . . . . 15.0 112.116 -176.508 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -86.3 -11.22 52.81 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.207 0.527 . . . . 15.0 110.409 171.788 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 463' ' ' LEU . . . . . 1.016 ' HG ' ' HE3' ' A' ' 459' ' ' LYS . 29.5 tp -119.98 0.34 10.76 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.532 -0.758 . . . . 15.0 110.323 -175.773 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 464' ' ' LYS . . . . . 0.454 ' CE ' ' HB3' ' A' ' 459' ' ' LYS . 40.5 ttmt . . . . . 0 C--O 1.25 1.122 0 CA-C-O 118.338 -0.839 . . . . 15.0 109.91 -178.291 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 . . . . . 0 N--CA 1.45 -0.438 0 CA-C-O 121.054 0.454 . . . . 15.0 110.483 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 70.2 m95 -94.26 118.42 31.56 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.572 -0.74 . . . . 15.0 109.567 176.316 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 2.6 m -115.35 144.91 43.07 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 116.259 -0.428 . . . . 15.0 110.523 -177.199 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -96.01 132.3 41.5 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.076 0.465 . . . . 15.0 110.756 -179.061 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 438' ' ' TYR . . . . . 0.509 ' O ' ' HA ' ' A' ' 445' ' ' THR . 94.1 m-85 -129.88 131.81 46.2 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.591 -0.731 . . . . 15.0 109.233 173.624 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 0.795 ' HD3' ' C ' ' A' ' 444' ' ' LYS . 4.2 tppp? -92.15 130.53 37.85 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.186 0.517 . . . . 15.0 110.811 -174.775 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 8.2 p -89.62 150.79 22.22 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.19 -0.914 . . . . 15.0 109.822 178.612 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -46.34 -26.34 0.81 Allowed 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 113.649 0.981 . . . . 15.0 113.649 -175.607 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 442' ' ' ASP . . . . . 0.418 ' OD2' ' HG2' ' A' ' 444' ' ' LYS . 1.5 p-10 -75.06 -5.23 43.0 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 121.243 0.544 . . . . 15.0 110.529 179.008 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 443' ' ' GLY . . . . . 0.571 ' O ' ' HD3' ' A' ' 444' ' ' LYS . . . 90.26 41.28 5.55 Favored Glycine 0 N--CA 1.444 -0.807 0 CA-C-N 115.573 -0.74 . . . . 15.0 114.291 174.241 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.795 ' C ' ' HD3' ' A' ' 439' ' ' LYS . 34.2 mmtm -141.8 150.51 41.77 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 118.013 0.906 . . . . 15.0 112.489 172.191 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 445' ' ' THR . . . . . 0.537 ' N ' ' HD3' ' A' ' 439' ' ' LYS . 22.2 p -92.78 135.22 34.31 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 121.116 0.484 . . . . 15.0 111.508 177.114 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 55.5 p90 -103.72 147.67 26.98 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 108.695 -0.854 . . . . 15.0 108.695 172.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 447' ' ' TYR . . . . . 0.402 ' CE2' ' HG3' ' A' ' 459' ' ' LYS . 29.1 m-85 -94.64 112.17 23.92 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 121.45 0.643 . . . . 15.0 110.404 -174.47 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 448' ' ' TYR . . . . . 0.405 ' CE1' ' HA ' ' A' ' 453' ' ' ASP . 52.8 t80 -107.71 122.04 45.92 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.134 -0.939 . . . . 15.0 110.967 -176.639 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.578 ' HB3' ' OG1' ' A' ' 452' ' ' THR . 26.6 t-20 -92.16 137.08 32.66 Favored 'General case' 0 CA--C 1.513 -0.468 0 N-CA-C 109.153 -0.684 . . . . 15.0 109.153 173.256 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 25.8 m-80 -77.11 -45.93 25.27 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 113.258 0.836 . . . . 15.0 113.258 -173.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 33.5 mtm105 -90.26 -1.72 57.95 Favored 'General case' 0 C--O 1.233 0.194 0 C-N-CA 118.239 -1.384 . . . . 15.0 112.142 -172.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 452' ' ' THR . . . . . 0.578 ' OG1' ' HB3' ' A' ' 449' ' ' ASN . 45.3 p -91.83 -39.12 11.94 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.351 0.595 . . . . 15.0 110.231 159.177 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 453' ' ' ASP . . . . . 0.405 ' HA ' ' CE1' ' A' ' 448' ' ' TYR . 32.9 t70 69.44 37.9 1.91 Allowed 'General case' 0 C--N 1.341 0.204 0 CA-C-N 113.979 -1.464 . . . . 15.0 108.736 -169.138 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -100.17 147.32 25.83 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.666 -0.697 . . . . 15.0 110.815 -176.689 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 35.1 t -119.01 110.57 17.26 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.962 -0.563 . . . . 15.0 109.731 175.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 14.8 t -137.63 150.06 47.1 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.216 -0.447 . . . . 15.0 110.016 -178.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 69.8 m95 -98.12 9.77 42.1 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.19 0.519 . . . . 15.0 110.118 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -101.12 121.18 41.35 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.194 -1.039 . . . . 15.0 108.194 -177.347 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 459' ' ' LYS . . . . . 0.52 ' HA ' ' HD2' ' A' ' 460' ' ' PRO . 28.8 mttm -58.42 120.53 45.22 Favored Pre-proline 0 N--CA 1.465 0.286 0 N-CA-C 113.321 0.859 . . . . 15.0 113.321 -173.822 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 460' ' ' PRO . . . . . 0.858 ' HG2' ' HB3' ' A' ' 463' ' ' LEU . 19.5 Cg_endo -59.59 150.15 77.96 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 123.35 2.7 . . . . 15.0 111.328 171.182 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -61.93 -12.7 19.41 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.657 0.614 . . . . 15.0 112.657 -176.786 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -96.72 -21.68 17.43 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.773 0.321 . . . . 15.0 111.165 178.702 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 463' ' ' LEU . . . . . 0.858 ' HB3' ' HG2' ' A' ' 460' ' ' PRO . 35.8 tp -120.22 21.96 11.55 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.146 0.498 . . . . 15.0 110.339 -174.588 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 464' ' ' LYS . . . . . 0.512 ' HA ' ' HD3' ' A' ' 459' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.934 0 CA-C-O 118.355 -0.831 . . . . 15.0 111.629 -176.669 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 . . . . . 0 C--O 1.236 0.377 0 CA-C-O 121.295 0.569 . . . . 15.0 109.912 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 86.9 m95 -99.41 139.62 34.8 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.076 -0.965 . . . . 15.0 109.786 178.234 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 2.7 m -128.88 144.48 51.19 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 109.93 -0.396 . . . . 15.0 109.93 177.799 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -103.93 118.7 37.3 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.603 -0.517 . . . . 15.0 109.603 -178.526 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 -114.19 140.64 48.37 Favored 'General case' 0 C--N 1.31 -1.143 0 CA-C-N 115.841 -0.618 . . . . 15.0 110.282 -179.172 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 0.844 ' HD2' ' N ' ' A' ' 444' ' ' LYS . 3.8 tppp? -101.5 133.08 46.7 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.873 0.368 . . . . 15.0 110.225 176.624 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 440' ' ' THR . . . . . 0.462 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 23.9 p -89.63 150.26 22.45 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.072 -0.513 . . . . 15.0 109.877 175.87 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -50.82 -28.28 9.08 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 113.256 0.836 . . . . 15.0 113.256 -175.253 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -82.43 3.8 26.69 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.699 0.285 . . . . 15.0 111.31 -176.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.21 65.09 1.22 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 121.187 -0.53 . . . . 15.0 112.925 174.036 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.844 ' N ' ' HD2' ' A' ' 439' ' ' LYS . 44.8 mttt -156.02 131.54 9.58 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 114.757 1.392 . . . . 15.0 114.757 -178.063 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 445' ' ' THR . . . . . 0.617 HG23 ' HE3' ' A' ' 439' ' ' LYS . 0.4 OUTLIER -97.4 144.09 27.49 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-O 120.683 0.278 . . . . 15.0 111.028 176.923 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 25.4 p90 -146.99 150.13 34.52 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.208 -0.664 . . . . 15.0 109.208 -179.63 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 74.8 m-85 -103.86 120.31 40.72 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.445 0.64 . . . . 15.0 111.235 -173.66 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 448' ' ' TYR . . . . . 0.46 ' CE1' ' HA ' ' A' ' 453' ' ' ASP . 48.0 t80 -112.61 123.78 51.07 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.046 -0.979 . . . . 15.0 110.321 -178.618 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.674 ' HB3' ' OG1' ' A' ' 452' ' ' THR . 23.7 t-20 -89.84 126.61 35.76 Favored 'General case' 0 CA--C 1.507 -0.691 0 N-CA-C 108.641 -0.874 . . . . 15.0 108.641 173.213 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 -71.99 -42.95 65.85 Favored 'General case' 0 C--N 1.314 -0.974 0 N-CA-C 112.491 0.552 . . . . 15.0 112.491 -173.533 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 49.0 mtm180 -90.49 -1.74 57.9 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 118.515 -1.274 . . . . 15.0 112.53 -173.332 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 452' ' ' THR . . . . . 0.674 ' OG1' ' HB3' ' A' ' 449' ' ' ASN . 44.1 p -91.82 -40.25 11.31 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.383 0.611 . . . . 15.0 109.687 159.761 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 453' ' ' ASP . . . . . 0.46 ' HA ' ' CE1' ' A' ' 448' ' ' TYR . 31.6 t70 72.74 34.4 1.18 Allowed 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 113.49 -1.686 . . . . 15.0 109.189 -168.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 454' ' ' GLU . . . . . 0.574 ' HG2' ' OG1' ' A' ' 452' ' ' THR . 9.9 pt-20 -111.06 136.73 49.65 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.944 -0.571 . . . . 15.0 110.742 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 14.1 p -106.84 127.37 53.35 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.917 -0.583 . . . . 15.0 110.334 178.168 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 14.4 t -135.2 150.06 50.04 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.063 0.459 . . . . 15.0 110.85 -178.715 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 75.0 m95 -89.75 -1.94 58.13 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.129 0.49 . . . . 15.0 110.205 177.423 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -84.39 141.25 30.99 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.437 -0.801 . . . . 15.0 109.234 173.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 459' ' ' LYS . . . . . 0.51 ' HE2' ' O ' ' A' ' 463' ' ' LEU . 75.0 tttt -85.87 120.28 72.57 Favored Pre-proline 0 C--N 1.318 -0.763 0 N-CA-C 110.0 -0.37 . . . . 15.0 110.0 -177.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 460' ' ' PRO . . . . . 0.44 ' HD2' ' HA ' ' A' ' 459' ' ' LYS . 10.5 Cg_endo -54.07 141.55 68.34 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.927 2.418 . . . . 15.0 111.318 178.55 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 461' ' ' GLN . . . . . 0.533 ' HA ' ' HB2' ' A' ' 464' ' ' LYS . 76.0 mt-30 -68.45 -16.86 64.05 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.768 0.318 . . . . 15.0 111.366 -175.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 462' ' ' GLU . . . . . 0.503 ' OE2' ' HB2' ' A' ' 463' ' ' LEU . 0.1 OUTLIER -84.19 -16.2 44.25 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.249 -0.432 . . . . 15.0 111.088 179.639 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 463' ' ' LEU . . . . . 0.51 ' O ' ' HE2' ' A' ' 459' ' ' LYS . 18.7 tp -120.04 0.33 10.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.007 -0.542 . . . . 15.0 110.386 177.654 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 464' ' ' LYS . . . . . 0.533 ' HB2' ' HA ' ' A' ' 461' ' ' GLN . 3.7 tttp . . . . . 0 C--O 1.244 0.801 0 CA-C-O 118.441 -0.79 . . . . 15.0 111.118 -175.461 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 434' ' ' GLU . . . . . 0.455 ' O ' ' HA ' ' A' ' 449' ' ' ASN . 1.3 pm0 . . . . . 0 N--CA 1.466 0.362 0 N-CA-C 112.478 0.547 . . . . 15.0 112.478 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.446 ' CE3' ' HG3' ' A' ' 460' ' ' PRO . 93.8 m95 -95.78 102.11 13.87 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.371 0.605 . . . . 15.0 110.223 179.112 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 4.0 m -105.24 146.95 28.6 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.7 -0.682 . . . . 15.0 110.401 -177.223 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 437' ' ' GLU . . . . . 0.588 ' HG3' HD21 ' A' ' 463' ' ' LEU . 47.9 mt-10 -108.92 122.74 47.86 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.011 -0.541 . . . . 15.0 110.862 -179.375 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 438' ' ' TYR . . . . . 0.495 ' O ' ' HA ' ' A' ' 445' ' ' THR . 98.0 m-85 -117.62 135.26 54.1 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.409 -0.814 . . . . 15.0 109.026 176.347 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 0.677 ' HD3' ' C ' ' A' ' 444' ' ' LYS . 0.0 OUTLIER -89.71 128.1 36.05 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.321 0.582 . . . . 15.0 110.227 -176.263 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 19.7 p -89.84 150.45 22.23 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.263 -0.881 . . . . 15.0 109.428 177.542 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -51.66 -18.33 1.15 Allowed 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 113.483 0.92 . . . . 15.0 113.483 -175.667 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -84.12 5.28 26.73 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-O 121.188 0.518 . . . . 15.0 110.826 177.777 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 443' ' ' GLY . . . . . 0.513 ' O ' ' HG3' ' A' ' 444' ' ' LYS . . . 90.36 37.08 6.74 Favored Glycine 0 N--CA 1.452 -0.267 0 N-CA-C 115.97 1.148 . . . . 15.0 115.97 164.757 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.677 ' C ' ' HD3' ' A' ' 439' ' ' LYS . 2.5 mptt -153.39 166.97 30.96 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 117.522 0.661 . . . . 15.0 111.424 169.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 445' ' ' THR . . . . . 0.495 ' HA ' ' O ' ' A' ' 438' ' ' TYR . 15.2 p -95.26 139.09 32.07 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.792 -0.64 . . . . 15.0 111.343 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 446' ' ' TYR . . . . . 0.466 ' CE1' ' HB2' ' A' ' 438' ' ' TYR . 31.8 p90 -106.4 142.38 36.16 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.803 -0.814 . . . . 15.0 108.803 173.46 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 447' ' ' TYR . . . . . 0.458 ' CZ ' ' HG3' ' A' ' 459' ' ' LYS . 38.4 m-85 -91.97 116.92 29.33 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 121.245 0.545 . . . . 15.0 110.802 -169.596 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 448' ' ' TYR . . . . . 0.522 ' HD1' ' HB3' ' A' ' 455' ' ' SER . 31.8 t80 -124.85 121.8 35.57 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.394 -0.821 . . . . 15.0 110.631 -172.348 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.625 ' HB3' ' OG1' ' A' ' 452' ' ' THR . 41.5 t-20 -93.15 123.62 36.54 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 108.128 -1.064 . . . . 15.0 108.128 173.294 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 54.2 m-80 -74.36 -42.36 59.47 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 112.695 0.628 . . . . 15.0 112.695 -171.81 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 39.8 mtm-85 -90.24 -1.71 57.96 Favored 'General case' 0 C--N 1.333 -0.114 0 C-N-CA 118.073 -1.451 . . . . 15.0 112.24 -174.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 452' ' ' THR . . . . . 0.625 ' OG1' ' HB3' ' A' ' 449' ' ' ASN . 76.2 p -91.63 -37.43 13.07 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.282 0.563 . . . . 15.0 109.484 159.423 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 453' ' ' ASP . . . . . . . . . . . . . 19.2 t70 78.09 24.65 0.67 Allowed 'General case' 0 C--N 1.343 0.301 0 CA-C-N 113.653 -1.612 . . . . 15.0 109.843 -175.01 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -97.73 147.51 24.29 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 121.019 0.437 . . . . 15.0 110.91 -176.812 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 455' ' ' SER . . . . . 0.522 ' HB3' ' HD1' ' A' ' 448' ' ' TYR . 9.1 p -123.16 123.05 39.93 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.873 -0.603 . . . . 15.0 110.282 178.83 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 9.7 t -135.74 150.18 49.43 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.196 -0.456 . . . . 15.0 110.261 -178.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 91.2 m95 -95.99 1.75 52.95 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.379 0.609 . . . . 15.0 109.793 176.812 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -93.56 120.47 33.87 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.152 -0.931 . . . . 15.0 109.485 177.673 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 459' ' ' LYS . . . . . 0.458 ' HG3' ' CZ ' ' A' ' 447' ' ' TYR . 19.2 tttm -68.02 113.33 14.26 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.566 -0.288 . . . . 15.0 111.062 -173.173 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 460' ' ' PRO . . . . . 1.055 ' HG2' ' HB3' ' A' ' 463' ' ' LEU . 1.5 Cg_endo -50.0 149.98 10.75 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 124.039 3.159 . . . . 15.0 113.309 178.679 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -60.57 -31.17 70.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 15.0 111.354 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -81.85 -18.03 45.3 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.125 -0.489 . . . . 15.0 111.21 179.222 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 463' ' ' LEU . . . . . 1.055 ' HB3' ' HG2' ' A' ' 460' ' ' PRO . 48.4 tp -120.12 28.74 7.89 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.982 -0.553 . . . . 15.0 110.073 -176.04 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 24.3 mmtm . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.282 -0.866 . . . . 15.0 110.695 177.487 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 . . . . . 0 C--O 1.235 0.298 0 CA-C-O 121.213 0.53 . . . . 15.0 109.731 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 58.8 m95 -102.27 118.62 37.26 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.276 -0.875 . . . . 15.0 109.762 176.37 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 10.3 m -101.02 148.4 25.09 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.935 -0.394 . . . . 15.0 109.935 179.446 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 437' ' ' GLU . . . . . 0.466 ' HB3' HG21 ' A' ' 445' ' ' THR . 44.2 mt-10 -102.22 128.22 48.84 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.209 0.528 . . . . 15.0 111.094 -179.531 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 438' ' ' TYR . . . . . 0.461 ' O ' ' HA ' ' A' ' 445' ' ' THR . 85.7 m-85 -123.6 125.37 44.72 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.616 -0.72 . . . . 15.0 109.304 173.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 0.811 ' HD3' ' C ' ' A' ' 444' ' ' LYS . 4.0 tppp? -89.91 131.95 35.56 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.154 0.502 . . . . 15.0 110.867 -175.615 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 20.3 p -89.9 150.56 22.14 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.327 -0.851 . . . . 15.0 109.734 176.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -46.03 -31.67 2.41 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 113.191 0.811 . . . . 15.0 113.191 -177.282 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -77.82 3.5 14.16 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 121.026 0.441 . . . . 15.0 111.219 -178.525 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.23 41.44 5.52 Favored Glycine 0 CA--C 1.519 0.33 0 N-CA-C 115.521 0.968 . . . . 15.0 115.521 166.079 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.811 ' C ' ' HD3' ' A' ' 439' ' ' LYS . 8.0 mptt -150.36 155.93 40.55 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 117.839 0.819 . . . . 15.0 112.048 170.625 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 445' ' ' THR . . . . . 0.628 HG23 ' HE3' ' A' ' 439' ' ' LYS . 6.6 p -94.47 137.66 33.34 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-O 121.268 0.556 . . . . 15.0 111.409 179.317 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 55.2 p90 -102.34 137.61 40.36 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 107.891 -1.152 . . . . 15.0 107.891 171.071 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 63.8 m-85 -89.84 113.09 24.62 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 121.639 0.733 . . . . 15.0 110.882 -171.073 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 448' ' ' TYR . . . . . 0.495 ' HA ' ' O ' ' A' ' 454' ' ' GLU . 52.3 t80 -108.49 123.97 49.71 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 114.666 -1.152 . . . . 15.0 110.687 -176.624 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.539 ' HB3' ' HG2' ' A' ' 454' ' ' GLU . 24.5 t-20 -89.79 132.12 35.39 Favored 'General case' 0 CA--C 1.507 -0.684 0 N-CA-C 108.773 -0.825 . . . . 15.0 108.773 174.625 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 41.8 m-80 -75.76 -50.14 16.12 Favored 'General case' 0 C--N 1.313 -0.998 0 N-CA-C 112.874 0.694 . . . . 15.0 112.874 -172.641 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 60.5 mtm180 -90.26 -1.66 57.95 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 118.56 -1.256 . . . . 15.0 112.721 -170.111 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 452' ' ' THR . . . . . 0.439 ' OG1' ' HB3' ' A' ' 449' ' ' ASN . 46.1 p -91.59 -38.62 12.36 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.491 0.663 . . . . 15.0 110.169 158.204 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 453' ' ' ASP . . . . . . . . . . . . . 21.6 t70 66.91 75.04 0.32 Allowed 'General case' 0 N--CA 1.462 0.15 0 CA-C-N 113.822 -1.535 . . . . 15.0 109.622 -166.529 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 454' ' ' GLU . . . . . 0.539 ' HG2' ' HB3' ' A' ' 449' ' ' ASN . 14.4 pt-20 -144.57 150.15 37.01 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.323 -0.853 . . . . 15.0 109.855 -178.811 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 47.0 m -123.4 120.13 32.07 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.963 0.411 . . . . 15.0 111.009 179.184 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 15.4 t -128.48 149.96 50.36 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.177 -0.465 . . . . 15.0 109.952 179.265 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 91.8 m95 -96.14 6.05 49.69 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.863 0.363 . . . . 15.0 110.438 179.488 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -96.38 141.74 29.34 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.136 -0.69 . . . . 15.0 109.136 175.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 459' ' ' LYS . . . . . 0.47 ' HA ' ' HD2' ' A' ' 460' ' ' PRO . 49.2 tttp -83.28 118.74 72.51 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 116.524 -0.307 . . . . 15.0 111.577 -172.003 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 460' ' ' PRO . . . . . 0.47 ' HD2' ' HA ' ' A' ' 459' ' ' LYS . 15.0 Cg_endo -59.62 143.59 99.62 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 123.09 2.527 . . . . 15.0 112.022 177.561 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 461' ' ' GLN . . . . . 0.413 ' HA ' ' HB2' ' A' ' 464' ' ' LYS . 2.0 mp0 -63.19 -30.71 71.81 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.773 -0.649 . . . . 15.0 111.127 -177.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 462' ' ' GLU . . . . . 0.521 ' OE2' ' HB2' ' A' ' 463' ' ' LEU . 0.0 OUTLIER -70.3 -14.13 62.46 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.663 -0.698 . . . . 15.0 111.756 -179.668 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 463' ' ' LEU . . . . . 0.521 ' HB2' ' OE2' ' A' ' 462' ' ' GLU . 18.6 tp -120.18 9.32 11.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.004 0.43 . . . . 15.0 110.164 178.353 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 464' ' ' LYS . . . . . 0.413 ' HB2' ' HA ' ' A' ' 461' ' ' GLN . 1.8 ttpm? . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.246 -0.883 . . . . 15.0 110.981 -174.546 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 . . . . . 0 C--O 1.234 0.267 0 CA-C-O 121.078 0.466 . . . . 15.0 110.808 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 70.6 m95 -99.91 119.14 37.76 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.695 -0.684 . . . . 15.0 110.536 179.752 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 3.3 m -114.97 146.13 41.53 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.221 -0.659 . . . . 15.0 109.221 178.576 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -121.54 150.33 41.79 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.408 0.623 . . . . 15.0 110.711 -177.006 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 438' ' ' TYR . . . . . 0.443 ' O ' ' HA ' ' A' ' 445' ' ' THR . 84.4 m-85 -135.22 137.72 42.9 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 114.78 -1.1 . . . . 15.0 109.152 -178.771 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 0.81 ' HB2' ' HZ3' ' A' ' 439' ' ' LYS . 0.0 OUTLIER -89.98 127.02 35.95 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.216 0.531 . . . . 15.0 109.978 -179.599 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 16.8 p -89.62 150.63 22.29 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.111 -0.95 . . . . 15.0 110.119 -178.207 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -49.41 -20.53 0.71 Allowed 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 113.872 1.064 . . . . 15.0 113.872 -175.104 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -79.62 -0.83 35.4 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 121.139 0.495 . . . . 15.0 110.412 177.687 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 443' ' ' GLY . . . . . 0.527 ' C ' ' HD2' ' A' ' 439' ' ' LYS . . . 90.1 38.81 6.27 Favored Glycine 0 N--CA 1.447 -0.567 0 CA-C-N 115.64 -0.709 . . . . 15.0 114.417 171.353 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.697 ' C ' ' HD3' ' A' ' 439' ' ' LYS . 35.9 mttp -148.53 158.03 43.86 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 117.599 0.699 . . . . 15.0 112.728 174.448 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 445' ' ' THR . . . . . 0.558 HG23 ' HZ3' ' A' ' 439' ' ' LYS . 1.0 OUTLIER -97.95 141.4 30.97 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.156 -0.474 . . . . 15.0 111.929 179.14 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 31.3 p90 -117.88 149.99 39.94 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 108.685 -0.857 . . . . 15.0 108.685 172.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -103.16 129.72 50.13 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 122.102 0.953 . . . . 15.0 111.704 -172.527 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 448' ' ' TYR . . . . . 0.526 ' HD2' ' HB3' ' A' ' 455' ' ' SER . 39.9 t80 -123.25 121.17 35.22 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 114.227 -1.351 . . . . 15.0 109.874 -173.628 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.489 ' HB3' ' HG2' ' A' ' 454' ' ' GLU . 24.8 t-20 -90.35 132.66 35.46 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 108.959 -0.756 . . . . 15.0 108.959 175.558 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 39.5 m-80 -76.89 -48.72 17.47 Favored 'General case' 0 C--N 1.313 -1.02 0 N-CA-C 113.027 0.751 . . . . 15.0 113.027 -173.448 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 58.3 mtm180 -90.01 -1.74 58.01 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 118.349 -1.34 . . . . 15.0 112.853 -171.203 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 452' ' ' THR . . . . . 0.476 ' OG1' ' HG2' ' A' ' 454' ' ' GLU . 76.8 p -91.36 -35.89 14.15 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.42 -0.585 . . . . 15.0 109.42 157.849 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 453' ' ' ASP . . . . . . . . . . . . . 26.0 t70 76.74 27.29 0.77 Allowed 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 113.664 -1.607 . . . . 15.0 109.508 -175.366 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 454' ' ' GLU . . . . . 0.489 ' HG2' ' HB3' ' A' ' 449' ' ' ASN . 14.4 pt-20 -97.55 137.8 35.93 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 116.022 -0.535 . . . . 15.0 111.184 -176.629 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 455' ' ' SER . . . . . 0.526 ' HB3' ' HD2' ' A' ' 448' ' ' TYR . 12.2 p -110.18 121.94 46.45 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.172 -0.467 . . . . 15.0 110.375 173.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 9.9 t -137.68 150.11 47.08 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.892 0.377 . . . . 15.0 110.386 -178.408 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 81.4 m95 -90.95 7.14 41.69 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.005 0.431 . . . . 15.0 110.691 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -92.73 142.66 27.1 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.06 -0.518 . . . . 15.0 109.905 175.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 459' ' ' LYS . . . . . 0.597 ' HE2' ' O ' ' A' ' 463' ' ' LEU . 75.9 tttt -84.51 125.0 72.74 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 116.292 -0.413 . . . . 15.0 110.35 -177.136 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 460' ' ' PRO . . . . . 0.585 ' HG2' ' HB3' ' A' ' 463' ' ' LEU . 17.1 Cg_endo -57.98 140.15 92.93 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 123.208 2.605 . . . . 15.0 112.561 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -66.29 -9.97 37.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.76 -0.655 . . . . 15.0 112.23 -177.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -88.69 -20.32 25.01 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.129 -0.487 . . . . 15.0 110.587 177.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 463' ' ' LEU . . . . . 0.597 ' O ' ' HE2' ' A' ' 459' ' ' LYS . 19.2 tp -120.02 18.33 12.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.056 -0.52 . . . . 15.0 110.902 -169.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 25.8 mtmm . . . . . 0 C--O 1.248 0.988 0 CA-C-O 118.161 -0.923 . . . . 15.0 110.388 179.697 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 434' ' ' GLU . . . . . 0.579 ' HB3' ' ND2' ' A' ' 449' ' ' ASN . 21.2 mm-40 . . . . . 0 N--CA 1.453 -0.281 0 CA-C-O 121.062 0.458 . . . . 15.0 110.878 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.479 ' CD2' ' HB2' ' A' ' 449' ' ' ASN . 55.6 m95 -90.65 123.2 34.08 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.614 -0.721 . . . . 15.0 110.456 -176.832 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 2.7 m -113.69 146.47 39.77 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.001 -0.545 . . . . 15.0 109.694 177.856 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -90.0 113.94 25.7 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.339 0.59 . . . . 15.0 110.135 -178.456 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 80.0 m-85 -110.64 148.02 33.09 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 114.948 -1.024 . . . . 15.0 108.946 175.569 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 0.824 ' HD2' ' N ' ' A' ' 444' ' ' LYS . 0.1 OUTLIER -103.92 138.93 39.79 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.24 0.543 . . . . 15.0 111.044 -176.818 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 440' ' ' THR . . . . . 0.517 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 29.5 p -89.75 150.43 22.29 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.329 -0.85 . . . . 15.0 109.318 173.144 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -54.13 -23.47 14.23 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 112.791 0.664 . . . . 15.0 112.791 -175.315 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -80.99 -0.8 41.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.765 0.316 . . . . 15.0 111.307 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 88.78 55.79 2.09 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 121.089 -0.577 . . . . 15.0 112.658 175.509 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.824 ' N ' ' HD2' ' A' ' 439' ' ' LYS . 14.5 mmtp -140.52 142.68 35.21 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 116.7 2.111 . . . . 15.0 116.7 -178.263 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 20.9 p -89.59 139.69 30.3 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 114.981 -1.008 . . . . 15.0 110.711 179.057 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 45.7 p90 -149.96 145.14 26.3 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.317 -0.623 . . . . 15.0 109.317 173.302 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 447' ' ' TYR . . . . . 0.422 ' HB3' ' HB3' ' A' ' 435' ' ' TRP . 66.4 m-85 -98.69 114.54 27.09 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-O 121.387 0.613 . . . . 15.0 110.628 -173.197 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 448' ' ' TYR . . . . . 0.495 ' HD2' ' HB3' ' A' ' 455' ' ' SER . 44.0 t80 -106.09 119.48 39.33 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 114.999 -1.0 . . . . 15.0 110.055 -175.237 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.579 ' ND2' ' HB3' ' A' ' 434' ' ' GLU . 21.5 t-20 -89.72 134.61 34.08 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 108.728 -0.841 . . . . 15.0 108.728 176.252 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 42.9 m-80 -76.89 -52.94 8.55 Favored 'General case' 0 C--N 1.315 -0.925 0 N-CA-C 113.1 0.778 . . . . 15.0 113.1 -171.708 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -90.14 -1.86 58.0 Favored 'General case' 0 CA--C 1.515 -0.392 0 C-N-CA 118.169 -1.413 . . . . 15.0 112.487 -171.845 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 452' ' ' THR . . . . . 0.55 ' OG1' ' HB3' ' A' ' 449' ' ' ASN . 26.3 p -91.82 -32.19 15.44 Favored 'General case' 0 C--N 1.308 -1.224 0 CA-C-O 121.58 0.705 . . . . 15.0 109.436 161.015 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 453' ' ' ASP . . . . . . . . . . . . . 29.3 t70 69.9 31.64 3.36 Favored 'General case' 0 C--N 1.343 0.319 0 CA-C-N 113.656 -1.611 . . . . 15.0 110.391 178.176 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 454' ' ' GLU . . . . . 0.545 ' HG2' ' OG1' ' A' ' 452' ' ' THR . 14.7 pt-20 -122.01 148.88 44.27 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.667 -0.697 . . . . 15.0 110.475 -177.76 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 455' ' ' SER . . . . . 0.495 ' HB3' ' HD2' ' A' ' 448' ' ' TYR . 5.9 p -117.22 130.58 56.67 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.273 -0.421 . . . . 15.0 111.037 -178.306 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 8.9 t -119.72 150.05 41.01 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.104 -0.498 . . . . 15.0 110.479 179.194 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 83.0 m95 -96.44 2.17 52.32 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.158 -0.474 . . . . 15.0 110.092 178.207 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -109.07 151.71 26.03 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.88 -0.6 . . . . 15.0 109.596 -179.228 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 9.8 mtpm? -72.62 118.7 70.14 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-O 121.159 0.504 . . . . 15.0 111.415 -177.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 460' ' ' PRO . . . . . 0.595 ' HG2' ' HB2' ' A' ' 463' ' ' LEU . 11.2 Cg_endo -57.65 150.34 62.08 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 123.702 2.935 . . . . 15.0 112.396 177.458 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 461' ' ' GLN . . . . . 0.4 ' O ' ' HG2' ' A' ' 464' ' ' LYS . 4.9 pm0 -56.33 -25.23 48.26 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.026 -0.534 . . . . 15.0 112.068 -179.805 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 462' ' ' GLU . . . . . 0.411 ' OE2' ' HB2' ' A' ' 434' ' ' GLU . 11.7 pt-20 -89.88 7.32 37.83 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 116.114 -0.494 . . . . 15.0 111.655 179.585 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 463' ' ' LEU . . . . . 0.595 ' HB2' ' HG2' ' A' ' 460' ' ' PRO . 31.1 tp -116.96 9.04 13.62 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.161 0.505 . . . . 15.0 110.622 179.617 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 464' ' ' LYS . . . . . 0.4 ' HG2' ' O ' ' A' ' 461' ' ' GLN . 21.7 pttp . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.276 -0.869 . . . . 15.0 109.961 176.025 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 434' ' ' GLU . . . . . 0.55 ' HB3' ' ND2' ' A' ' 449' ' ' ASN . 6.2 mm-40 . . . . . 0 CA--C 1.518 -0.266 0 CA-C-O 120.937 0.398 . . . . 15.0 110.772 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.521 ' HA ' ' O ' ' A' ' 448' ' ' TYR . 71.5 m95 -112.29 119.93 39.98 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.442 -0.799 . . . . 15.0 110.633 -174.879 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 2.4 m -99.16 145.01 27.64 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.017 -0.538 . . . . 15.0 109.592 176.461 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -104.31 123.74 47.92 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.278 0.561 . . . . 15.0 110.602 -176.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 438' ' ' TYR . . . . . 0.561 ' O ' ' HA ' ' A' ' 445' ' ' THR . 93.4 m-85 -123.42 140.37 53.08 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.397 -0.819 . . . . 15.0 110.285 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 0.81 ' HD3' ' C ' ' A' ' 444' ' ' LYS . 11.2 tppt? -95.17 132.91 39.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.2 0.524 . . . . 15.0 109.926 175.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 9.8 p -89.64 151.0 22.12 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.36 -0.836 . . . . 15.0 110.365 -179.154 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -50.76 -20.97 1.42 Allowed 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 113.11 0.782 . . . . 15.0 113.11 -178.853 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -77.64 -5.03 48.96 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 121.027 0.441 . . . . 15.0 111.001 175.717 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 443' ' ' GLY . . . . . 0.447 ' C ' ' HD2' ' A' ' 439' ' ' LYS . . . 90.15 39.39 6.08 Favored Glycine 0 N--CA 1.447 -0.583 0 CA-C-N 115.628 -0.714 . . . . 15.0 114.153 173.682 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.81 ' C ' ' HD3' ' A' ' 439' ' ' LYS . 48.0 mtpt -145.16 153.54 41.48 Favored 'General case' 0 C--O 1.221 -0.42 0 N-CA-C 113.346 0.869 . . . . 15.0 113.346 175.896 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 445' ' ' THR . . . . . 0.561 ' HA ' ' O ' ' A' ' 438' ' ' TYR . 0.1 OUTLIER -99.41 150.11 22.49 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.833 -0.621 . . . . 15.0 112.239 -176.6 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 47.2 p90 -142.57 150.06 39.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.528 -0.76 . . . . 15.0 109.336 -177.781 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -98.11 126.49 43.58 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.404 0.621 . . . . 15.0 111.089 -175.155 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 448' ' ' TYR . . . . . 0.521 ' O ' ' HA ' ' A' ' 435' ' ' TRP . 43.0 t80 -116.65 120.12 37.64 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 115.355 -0.839 . . . . 15.0 110.315 -174.129 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.55 ' ND2' ' HB3' ' A' ' 434' ' ' GLU . 23.1 t-20 -89.77 134.36 34.22 Favored 'General case' 0 CA--C 1.507 -0.691 0 N-CA-C 108.693 -0.854 . . . . 15.0 108.693 177.726 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 41.6 m-80 -83.54 -50.18 8.5 Favored 'General case' 0 C--N 1.312 -1.03 0 N-CA-C 113.259 0.837 . . . . 15.0 113.259 -170.376 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 46.0 mtm180 -90.06 -1.76 58.01 Favored 'General case' 0 N--CA 1.462 0.173 0 C-N-CA 118.419 -1.312 . . . . 15.0 112.728 -173.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 71.2 p -91.4 -36.65 13.68 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.553 0.692 . . . . 15.0 109.54 160.069 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 453' ' ' ASP . . . . . . . . . . . . . 26.5 t70 67.51 71.38 0.35 Allowed 'General case' 0 C--O 1.231 0.125 0 CA-C-N 113.611 -1.631 . . . . 15.0 109.752 -173.047 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -150.2 150.24 31.31 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.236 -0.893 . . . . 15.0 111.001 -178.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 10.2 p -112.35 129.38 56.32 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.106 -0.497 . . . . 15.0 111.145 179.477 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 21.7 m -132.59 139.51 47.83 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.094 -0.503 . . . . 15.0 110.084 -178.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 91.3 m95 -89.01 -25.67 21.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.722 0.296 . . . . 15.0 111.497 -178.761 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -75.55 137.07 40.59 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.179 -0.464 . . . . 15.0 109.907 174.738 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 459' ' ' LYS . . . . . 1.056 ' HB3' ' HE3' ' A' ' 464' ' ' LYS . 32.9 tttm -67.2 114.2 17.42 Favored Pre-proline 0 C--N 1.326 -0.417 0 N-CA-C 109.792 -0.448 . . . . 15.0 109.792 -179.498 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 460' ' ' PRO . . . . . 0.738 ' HG2' ' HB3' ' A' ' 463' ' ' LEU . 10.1 Cg_endo -53.63 146.32 44.29 Favored 'Trans proline' 0 N--CA 1.476 0.446 0 C-N-CA 123.969 3.112 . . . . 15.0 112.901 -176.503 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 87.2 mm-40 -63.67 -22.85 67.12 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 111.851 0.315 . . . . 15.0 111.851 -178.114 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 2.5 pm0 -82.15 -15.48 53.15 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.711 0.291 . . . . 15.0 111.251 177.586 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 463' ' ' LEU . . . . . 0.738 ' HB3' ' HG2' ' A' ' 460' ' ' PRO . 29.6 tp -120.27 3.45 10.85 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.843 0.354 . . . . 15.0 110.51 -178.581 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 464' ' ' LYS . . . . . 1.056 ' HE3' ' HB3' ' A' ' 459' ' ' LYS . 8.3 mmtp . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.256 -0.878 . . . . 15.0 110.577 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 . . . . . 0 C--O 1.235 0.307 0 CA-C-O 120.674 0.273 . . . . 15.0 110.459 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.47 ' CZ3' HG22 ' A' ' 456' ' ' THR . 86.6 m95 -102.59 124.57 48.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.083 -0.508 . . . . 15.0 110.841 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 2.8 m -111.43 144.01 41.32 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.895 -0.409 . . . . 15.0 109.895 176.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 437' ' ' GLU . . . . . 0.436 ' HG2' HG22 ' A' ' 445' ' ' THR . 31.3 tt0 -99.98 122.55 43.05 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.267 0.556 . . . . 15.0 110.221 -176.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 90.4 m-85 -124.33 150.23 45.7 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.324 -0.853 . . . . 15.0 109.662 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 0.856 ' HD2' ' N ' ' A' ' 444' ' ' LYS . 13.6 tppt? -104.16 138.34 40.79 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.994 0.426 . . . . 15.0 111.054 179.325 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 440' ' ' THR . . . . . 0.508 HG23 ' CE1' ' A' ' 446' ' ' TYR . 6.1 p -89.81 150.29 22.31 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.774 -0.648 . . . . 15.0 109.663 172.443 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -64.08 1.87 0.63 Allowed 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 113.314 0.857 . . . . 15.0 113.314 -174.452 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -100.52 2.28 41.82 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.797 0.332 . . . . 15.0 110.455 178.106 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.05 54.91 2.07 Favored Glycine 0 C--N 1.332 0.321 0 C-N-CA 121.243 -0.503 . . . . 15.0 112.62 178.13 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.856 ' N ' ' HD2' ' A' ' 439' ' ' LYS . 33.0 mttp -150.11 132.59 15.68 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 115.004 1.483 . . . . 15.0 115.004 -177.451 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 445' ' ' THR . . . . . 0.436 HG22 ' HG2' ' A' ' 437' ' ' GLU . 0.0 OUTLIER -93.74 148.77 21.81 Favored 'General case' 0 C--N 1.315 -0.896 0 C-N-CA 121.153 -0.219 . . . . 15.0 110.632 177.506 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 446' ' ' TYR . . . . . 0.508 ' CE1' HG23 ' A' ' 440' ' ' THR . 54.4 p90 -149.95 150.06 31.3 Favored 'General case' 0 CA--C 1.515 -0.397 0 N-CA-C 109.612 -0.514 . . . . 15.0 109.612 -176.291 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -104.98 120.34 41.22 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.474 0.654 . . . . 15.0 111.102 -171.782 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 448' ' ' TYR . . . . . 0.574 ' CD2' ' HB3' ' A' ' 455' ' ' SER . 35.2 t80 -113.39 119.62 38.26 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 114.648 -1.16 . . . . 15.0 109.767 -176.502 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.608 ' HB3' ' OG1' ' A' ' 452' ' ' THR . 46.2 t-20 -90.13 126.97 35.98 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.978 -0.749 . . . . 15.0 108.978 177.634 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 45.6 m-80 -80.47 -41.2 24.79 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.49 -0.777 . . . . 15.0 112.623 -171.474 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 80.9 mtm180 -90.28 -1.49 57.93 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 118.666 -1.214 . . . . 15.0 111.793 -174.419 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 452' ' ' THR . . . . . 0.608 ' OG1' ' HB3' ' A' ' 449' ' ' ASN . 42.5 p -91.55 -47.65 7.29 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.717 0.77 . . . . 15.0 109.357 160.07 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 453' ' ' ASP . . . . . . . . . . . . . 30.1 t70 81.93 36.18 0.07 Allowed 'General case' 0 C--N 1.342 0.247 0 CA-C-N 112.779 -2.009 . . . . 15.0 109.71 -172.264 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 454' ' ' GLU . . . . . 0.492 ' HG3' ' HB ' ' A' ' 452' ' ' THR . 1.1 pp20? -128.73 145.49 51.16 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.234 0.54 . . . . 15.0 111.045 175.845 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 455' ' ' SER . . . . . 0.574 ' HB3' ' CD2' ' A' ' 448' ' ' TYR . 13.0 p -116.76 135.1 54.03 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.474 -0.785 . . . . 15.0 110.949 -177.435 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 456' ' ' THR . . . . . 0.47 HG22 ' CZ3' ' A' ' 435' ' ' TRP . 14.4 t -133.01 150.05 52.18 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.925 -0.579 . . . . 15.0 109.719 177.211 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.588 ' HZ3' ' HB3' ' A' ' 444' ' ' LYS . 74.2 m95 -86.19 -3.28 58.93 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.122 0.487 . . . . 15.0 110.25 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -83.2 136.07 34.55 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.628 -0.715 . . . . 15.0 109.615 176.338 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 459' ' ' LYS . . . . . 0.521 ' HE2' ' O ' ' A' ' 463' ' ' LEU . 70.7 tttt -77.33 123.44 86.97 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 116.49 -0.323 . . . . 15.0 110.795 -175.623 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -69.18 149.16 70.24 Favored 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 122.818 2.345 . . . . 15.0 112.257 -179.174 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -57.81 -27.86 63.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.744 -0.662 . . . . 15.0 112.055 -175.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -72.4 -22.15 61.16 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.05 0.389 . . . . 15.0 112.05 -176.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 463' ' ' LEU . . . . . 0.521 ' O ' ' HE2' ' A' ' 459' ' ' LYS . 6.3 tp -120.23 3.28 10.88 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.675 -0.41 . . . . 15.0 111.005 -172.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 64.2 tttm . . . . . 0 C--O 1.253 1.27 0 CA-C-O 118.378 -0.82 . . . . 15.0 111.853 -174.177 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 434' ' ' GLU . . . . . 0.512 ' HG3' ' ND2' ' A' ' 449' ' ' ASN . 15.6 tp10 . . . . . 0 C--O 1.234 0.279 0 CA-C-O 121.351 0.596 . . . . 15.0 110.446 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 84.9 m95 -108.65 135.67 49.5 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.351 -0.841 . . . . 15.0 110.249 177.271 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 3.1 m -126.18 144.73 50.65 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.499 -0.556 . . . . 15.0 109.499 173.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 437' ' ' GLU . . . . . 0.531 ' HB3' ' CD1' ' A' ' 447' ' ' TYR . 0.2 OUTLIER -110.96 131.12 55.31 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.533 0.683 . . . . 15.0 111.103 -176.515 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -126.96 141.84 51.7 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.429 -0.805 . . . . 15.0 109.483 178.46 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 0.817 ' HD3' ' C ' ' A' ' 444' ' ' LYS . 10.6 tppt? -93.75 143.34 26.41 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.382 0.61 . . . . 15.0 110.413 -177.739 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 25.0 p -89.62 150.71 22.26 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.108 -0.951 . . . . 15.0 109.872 178.824 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -49.91 -25.14 2.95 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 112.966 0.728 . . . . 15.0 112.966 -179.629 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -80.55 -6.12 57.76 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 120.902 0.382 . . . . 15.0 110.758 178.479 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.32 51.47 2.74 Favored Glycine 0 N--CA 1.449 -0.48 0 CA-C-N 115.943 -0.571 . . . . 15.0 114.254 176.036 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.817 ' C ' ' HD3' ' A' ' 439' ' ' LYS . 42.6 mttp -146.19 149.94 34.91 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 117.489 0.645 . . . . 15.0 112.626 168.229 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 445' ' ' THR . . . . . 0.564 ' N ' ' HD3' ' A' ' 439' ' ' LYS . 0.0 OUTLIER -96.66 145.3 25.89 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.17 0.509 . . . . 15.0 111.563 -179.041 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 52.0 p90 -130.09 146.81 51.77 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.282 -0.872 . . . . 15.0 108.656 175.132 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 447' ' ' TYR . . . . . 0.531 ' CD1' ' HB3' ' A' ' 437' ' ' GLU . 64.0 m-85 -99.98 123.69 44.5 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.379 0.609 . . . . 15.0 111.065 -174.631 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 55.1 t80 -109.43 124.09 50.44 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.247 -0.888 . . . . 15.0 110.665 -178.635 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.548 ' HB3' ' OG1' ' A' ' 452' ' ' THR . 24.1 t-20 -94.44 135.42 35.89 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.635 -0.876 . . . . 15.0 108.635 172.854 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 43.4 m-80 -76.82 -53.01 8.48 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 113.141 0.793 . . . . 15.0 113.141 -170.047 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 451' ' ' ARG . . . . . 0.405 ' HE ' ' CD ' ' A' ' 434' ' ' GLU . 46.6 mtm180 -88.99 -1.11 57.95 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 118.836 -1.145 . . . . 15.0 112.306 -172.288 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 452' ' ' THR . . . . . 0.548 ' OG1' ' HB3' ' A' ' 449' ' ' ASN . 80.4 p -91.34 -31.49 16.06 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.422 0.629 . . . . 15.0 109.692 158.871 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 453' ' ' ASP . . . . . . . . . . . . . 36.8 t70 66.62 31.23 7.9 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 114.195 -1.366 . . . . 15.0 109.664 -175.159 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -101.14 141.36 34.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.663 -0.699 . . . . 15.0 110.339 -178.324 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 15.6 m -117.55 115.79 25.82 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.298 -0.63 . . . . 15.0 109.298 174.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 14.6 t -130.97 150.47 52.11 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.302 0.572 . . . . 15.0 110.842 -175.533 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 70.9 m95 -89.88 0.31 57.13 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.669 -0.696 . . . . 15.0 110.241 178.715 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -87.31 153.24 21.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.547 -0.751 . . . . 15.0 109.555 177.109 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 459' ' ' LYS . . . . . 0.481 ' HE2' ' O ' ' A' ' 463' ' ' LEU . 63.1 tttt -81.21 124.91 80.46 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 116.454 -0.339 . . . . 15.0 110.697 -175.587 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 460' ' ' PRO . . . . . 0.543 ' HG2' ' HB3' ' A' ' 463' ' ' LEU . 6.6 Cg_endo -51.95 140.71 48.35 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 123.476 2.784 . . . . 15.0 112.656 178.176 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -72.05 -1.6 15.31 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.116 -0.493 . . . . 15.0 111.724 -176.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -102.94 -4.93 24.04 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.945 0.402 . . . . 15.0 110.383 174.74 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 463' ' ' LEU . . . . . 0.543 ' HB3' ' HG2' ' A' ' 460' ' ' PRO . 21.7 tp -120.03 21.17 11.95 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.237 -0.438 . . . . 15.0 110.031 -176.313 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 464' ' ' LYS . . . . . 0.445 ' HG3' ' H ' ' A' ' 464' ' ' LYS . 21.2 mtmm . . . . . 0 C--O 1.248 0.984 0 CA-C-O 118.469 -0.777 . . . . 15.0 111.13 -175.564 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 434' ' ' GLU . . . . . 0.5 ' O ' ' HA ' ' A' ' 449' ' ' ASN . 14.9 mm-40 . . . . . 0 C--O 1.234 0.247 0 CA-C-O 121.176 0.513 . . . . 15.0 110.93 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.485 ' HB3' ' HB3' ' A' ' 447' ' ' TYR . 34.2 m95 -102.51 114.54 28.84 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.362 -0.835 . . . . 15.0 110.684 -173.482 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 4.9 m -91.4 146.09 24.1 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.844 -0.616 . . . . 15.0 109.65 177.158 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 437' ' ' GLU . . . . . 0.405 ' HG2' ' CE1' ' A' ' 447' ' ' TYR . 51.4 mt-10 -96.27 126.99 41.86 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.944 0.402 . . . . 15.0 111.462 -175.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 438' ' ' TYR . . . . . 0.453 ' O ' ' HA ' ' A' ' 445' ' ' THR . 78.0 m-85 -130.66 127.06 38.14 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.454 -0.793 . . . . 15.0 109.398 175.348 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 0.794 ' HD3' ' C ' ' A' ' 444' ' ' LYS . 11.9 tppt? -99.9 142.24 31.65 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 109.493 -0.558 . . . . 15.0 109.493 179.156 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 24.7 p -89.39 150.71 22.41 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 115.442 -0.799 . . . . 15.0 110.013 -178.371 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -49.58 -28.73 6.0 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 112.563 0.579 . . . . 15.0 112.563 -179.568 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -79.76 -4.11 50.55 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 121.159 0.504 . . . . 15.0 111.05 178.352 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.23 52.69 2.49 Favored Glycine 0 N--CA 1.447 -0.59 0 CA-C-N 115.728 -0.669 . . . . 15.0 114.581 174.373 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.794 ' C ' ' HD3' ' A' ' 439' ' ' LYS . 10.7 mttm -146.57 146.07 30.33 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 113.43 0.9 . . . . 15.0 113.43 169.26 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 445' ' ' THR . . . . . 0.615 ' N ' ' HD3' ' A' ' 439' ' ' LYS . 0.0 OUTLIER -96.13 145.47 25.48 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.52 0.676 . . . . 15.0 112.138 -179.242 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 42.7 p90 -129.26 135.78 49.23 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 114.806 -1.088 . . . . 15.0 108.597 171.789 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 447' ' ' TYR . . . . . 0.501 ' CD2' ' HD3' ' A' ' 460' ' ' PRO . 73.2 m-85 -92.61 112.36 24.29 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.224 -0.444 . . . . 15.0 110.564 -174.248 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 448' ' ' TYR . . . . . 0.423 ' CE1' ' HA ' ' A' ' 453' ' ' ASP . 29.1 t80 -100.41 120.99 40.8 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.987 -0.551 . . . . 15.0 110.864 -178.332 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.557 ' HB3' ' OG1' ' A' ' 452' ' ' THR . 37.3 t-20 -89.77 129.3 36.18 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.69 -0.855 . . . . 15.0 108.69 176.725 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 40.7 m-80 -73.23 -49.99 24.82 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 113.281 0.845 . . . . 15.0 113.281 -170.638 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 31.6 mtm180 -90.18 -1.68 57.97 Favored 'General case' 0 C--N 1.333 -0.145 0 C-N-CA 118.268 -1.373 . . . . 15.0 112.225 -173.486 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 452' ' ' THR . . . . . 0.621 ' OG1' ' HG2' ' A' ' 454' ' ' GLU . 70.4 p -91.2 -36.6 13.84 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.948 -0.76 . . . . 15.0 108.948 161.12 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 453' ' ' ASP . . . . . 0.423 ' HA ' ' CE1' ' A' ' 448' ' ' TYR . 36.8 t70 69.88 33.41 2.86 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 113.505 -1.679 . . . . 15.0 109.369 -174.347 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 454' ' ' GLU . . . . . 0.621 ' HG2' ' OG1' ' A' ' 452' ' ' THR . 10.8 pt-20 -116.99 145.15 43.84 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 115.817 -0.629 . . . . 15.0 110.212 -179.304 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 36.0 m -109.9 118.38 36.31 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.127 0.489 . . . . 15.0 110.982 -179.45 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 54.1 m -110.3 134.65 52.06 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.711 -0.677 . . . . 15.0 109.79 177.223 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 69.3 m95 -89.55 -23.65 21.95 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.145 0.498 . . . . 15.0 109.948 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -72.81 152.39 41.58 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.455 -0.793 . . . . 15.0 109.666 174.196 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 459' ' ' LYS . . . . . 0.63 ' HG2' ' HA ' ' A' ' 464' ' ' LYS . 18.0 tptm -64.76 120.62 67.75 Favored Pre-proline 0 C--N 1.326 -0.443 0 N-CA-C 110.208 -0.293 . . . . 15.0 110.208 -179.402 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 460' ' ' PRO . . . . . 0.501 ' HD3' ' CD2' ' A' ' 447' ' ' TYR . 52.5 Cg_exo -56.7 144.14 87.44 Favored 'Trans proline' 0 C--N 1.343 0.253 0 C-N-CA 123.198 2.598 . . . . 15.0 111.826 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -67.29 -9.45 40.98 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.3 0.481 . . . . 15.0 112.3 -175.364 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -98.59 -14.33 19.96 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.135 0.493 . . . . 15.0 110.578 176.219 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 31.4 tp -120.1 0.94 10.82 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.211 -0.45 . . . . 15.0 110.995 -174.236 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 464' ' ' LYS . . . . . 0.63 ' HA ' ' HG2' ' A' ' 459' ' ' LYS . 19.0 pttp . . . . . 0 C--O 1.245 0.857 0 CA-C-O 118.116 -0.945 . . . . 15.0 111.597 -176.722 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 434' ' ' GLU . . . . . 0.57 ' O ' ' HA ' ' A' ' 449' ' ' ASN . 19.8 mm-40 . . . . . 0 CA--C 1.519 -0.231 0 CA-C-O 120.884 0.373 . . . . 15.0 110.773 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.493 ' CZ3' HG22 ' A' ' 456' ' ' THR . 68.9 m95 -104.03 122.2 44.75 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.628 -0.714 . . . . 15.0 111.025 -173.328 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 6.3 m -106.04 149.02 27.08 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.811 -0.631 . . . . 15.0 109.879 176.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -101.25 121.49 41.96 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.385 0.612 . . . . 15.0 111.571 -178.264 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 438' ' ' TYR . . . . . 0.565 ' O ' ' HA ' ' A' ' 445' ' ' THR . 74.8 m-85 -124.72 128.12 48.3 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.252 -0.885 . . . . 15.0 109.049 174.134 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 0.736 ' HD3' ' C ' ' A' ' 444' ' ' LYS . 10.2 tppt? -89.92 125.02 35.21 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.338 0.589 . . . . 15.0 110.668 -177.611 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -89.77 150.74 22.14 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.196 -0.911 . . . . 15.0 110.013 176.662 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -47.84 -15.46 0.06 Allowed 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 114.205 1.187 . . . . 15.0 114.205 -176.448 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -80.66 -2.23 45.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.242 0.544 . . . . 15.0 110.377 177.778 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 443' ' ' GLY . . . . . 0.455 ' C ' ' HD2' ' A' ' 439' ' ' LYS . . . 89.97 35.15 7.82 Favored Glycine 0 N--CA 1.448 -0.523 0 CA-C-N 115.46 -0.791 . . . . 15.0 113.759 170.822 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.736 ' C ' ' HD3' ' A' ' 439' ' ' LYS . 33.0 mttp -150.43 157.61 43.22 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 117.093 0.446 . . . . 15.0 112.037 176.333 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 445' ' ' THR . . . . . 0.565 ' HA ' ' O ' ' A' ' 438' ' ' TYR . 33.8 p -93.87 136.33 34.27 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.367 0.603 . . . . 15.0 111.4 178.23 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 446' ' ' TYR . . . . . 0.403 ' CZ ' ' HB2' ' A' ' 438' ' ' TYR . 52.7 p90 -100.01 136.9 39.21 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 108.412 -0.958 . . . . 15.0 108.412 171.564 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 38.7 m-85 -91.46 114.89 27.55 Favored 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 109.958 -0.386 . . . . 15.0 109.958 -176.124 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 448' ' ' TYR . . . . . 0.438 ' O ' ' HA ' ' A' ' 435' ' ' TRP . 52.2 t80 -109.87 125.7 53.06 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.204 -0.453 . . . . 15.0 111.062 -177.703 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.731 ' HB3' ' OG1' ' A' ' 452' ' ' THR . 43.8 t-20 -96.07 133.85 39.83 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.401 -0.592 . . . . 15.0 109.401 175.245 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 44.5 m-80 -75.94 -50.54 14.68 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 113.245 0.831 . . . . 15.0 113.245 -172.625 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 50.4 mtm180 -90.2 -1.16 57.9 Favored 'General case' 0 N--CA 1.463 0.183 0 C-N-CA 118.803 -1.159 . . . . 15.0 111.762 -172.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 452' ' ' THR . . . . . 0.731 ' OG1' ' HB3' ' A' ' 449' ' ' ASN . 68.9 p -91.12 -36.08 14.2 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 108.536 -0.913 . . . . 15.0 108.536 161.654 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 453' ' ' ASP . . . . . . . . . . . . . 33.1 t70 69.06 36.26 2.51 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 113.838 -1.528 . . . . 15.0 109.287 -177.066 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 454' ' ' GLU . . . . . 0.475 ' HG3' ' HB ' ' A' ' 452' ' ' THR . 1.4 pp20? -134.93 150.08 50.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.708 -0.678 . . . . 15.0 111.011 178.4 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 34.5 t -120.62 134.11 55.31 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.657 -0.701 . . . . 15.0 110.693 -176.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 456' ' ' THR . . . . . 0.493 HG22 ' CZ3' ' A' ' 435' ' ' TRP . 8.9 t -120.1 149.79 41.64 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.777 -0.647 . . . . 15.0 109.991 176.906 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 77.9 m95 -92.66 -3.41 54.97 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.34 0.59 . . . . 15.0 109.703 177.818 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -93.46 140.81 29.16 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.125 -0.943 . . . . 15.0 109.408 178.089 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 459' ' ' LYS . . . . . 1.01 ' HD3' ' HA ' ' A' ' 464' ' ' LYS . 33.9 ttmt -55.67 125.18 60.25 Favored Pre-proline 0 C--N 1.328 -0.335 0 O-C-N 123.252 0.345 . . . . 15.0 111.404 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -63.32 150.09 89.5 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 123.296 2.664 . . . . 15.0 112.142 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 32.9 mm-40 -68.21 -11.27 59.01 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.628 0.603 . . . . 15.0 112.628 -174.312 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -99.36 -3.04 34.8 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.153 0.501 . . . . 15.0 110.49 177.111 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 31.3 tp -120.09 8.76 11.02 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.733 -0.667 . . . . 15.0 110.091 -178.11 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 464' ' ' LYS . . . . . 1.01 ' HA ' ' HD3' ' A' ' 459' ' ' LYS . 19.0 ptpt . . . . . 0 C--O 1.252 1.223 0 CA-C-O 118.955 -0.545 . . . . 15.0 111.604 -175.204 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 . . . . . 0 C--O 1.235 0.307 0 CA-C-O 121.001 0.429 . . . . 15.0 110.329 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.488 ' HA ' ' O ' ' A' ' 448' ' ' TYR . 56.0 m95 -103.45 127.71 50.77 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.51 -0.768 . . . . 15.0 110.751 -175.697 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 3.5 m -117.34 144.02 45.35 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.352 -0.61 . . . . 15.0 109.352 175.379 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 437' ' ' GLU . . . . . 0.64 ' HB3' ' CD1' ' A' ' 447' ' ' TYR . 0.2 OUTLIER -121.2 134.79 55.21 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-O 121.499 0.666 . . . . 15.0 111.437 -176.481 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -122.45 138.17 54.63 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.292 -0.867 . . . . 15.0 109.085 176.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 0.843 ' HD3' ' C ' ' A' ' 444' ' ' LYS . 4.7 tppp? -89.72 127.03 35.88 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.496 -0.557 . . . . 15.0 109.496 -178.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 24.6 p -89.56 150.63 22.34 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 115.415 -0.812 . . . . 15.0 110.017 -176.807 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -48.19 -22.19 0.61 Allowed 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 113.173 0.805 . . . . 15.0 113.173 -176.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -78.71 -2.21 38.2 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 121.046 0.451 . . . . 15.0 111.063 177.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.94 37.62 6.74 Favored Glycine 0 N--CA 1.448 -0.554 0 CA-C-N 115.927 -0.579 . . . . 15.0 114.517 170.673 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.843 ' C ' ' HD3' ' A' ' 439' ' ' LYS . 35.5 mtmm -151.24 155.49 38.9 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 117.58 0.69 . . . . 15.0 112.472 175.101 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 445' ' ' THR . . . . . 0.688 HG23 ' HE3' ' A' ' 439' ' ' LYS . 0.6 OUTLIER -98.48 143.15 29.23 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.679 -0.691 . . . . 15.0 111.615 -177.663 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 44.5 p90 -115.71 137.79 51.73 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 108.814 -0.81 . . . . 15.0 108.814 171.602 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 447' ' ' TYR . . . . . 0.64 ' CD1' ' HB3' ' A' ' 437' ' ' GLU . 97.1 m-85 -98.93 122.02 41.64 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-O 121.19 0.519 . . . . 15.0 110.66 -174.647 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 448' ' ' TYR . . . . . 0.488 ' O ' ' HA ' ' A' ' 435' ' ' TRP . 46.0 t80 -113.38 123.81 50.96 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.131 -0.941 . . . . 15.0 111.247 -174.217 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -90.11 139.04 31.01 Favored 'General case' 0 CA--C 1.513 -0.449 0 N-CA-C 109.021 -0.733 . . . . 15.0 109.021 172.162 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 31.3 m-80 -75.14 -62.21 1.63 Allowed 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 113.57 0.952 . . . . 15.0 113.57 -172.642 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -87.67 -1.57 58.04 Favored 'General case' 0 CA--C 1.513 -0.455 0 C-N-CA 118.009 -1.477 . . . . 15.0 112.796 -168.182 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 25.9 p -91.93 -29.78 16.47 Favored 'General case' 0 C--N 1.309 -1.185 0 CA-C-O 121.778 0.799 . . . . 15.0 109.688 163.05 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 453' ' ' ASP . . . . . . . . . . . . . 17.1 t70 54.76 75.35 0.3 Allowed 'General case' 0 C--O 1.231 0.109 0 CA-C-N 113.684 -1.598 . . . . 15.0 110.474 -174.225 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 454' ' ' GLU . . . . . 0.431 ' O ' ' HA ' ' A' ' 448' ' ' TYR . 12.6 pt-20 -144.73 142.5 30.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 114.887 -1.052 . . . . 15.0 109.961 178.302 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 15.0 m -120.88 120.79 36.53 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.11 -0.496 . . . . 15.0 109.952 -178.7 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 14.7 t -133.73 150.12 51.49 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.019 0.438 . . . . 15.0 111.036 -177.572 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 51.6 m95 -89.54 65.75 7.09 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.531 -0.544 . . . . 15.0 109.531 176.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -158.85 128.84 5.79 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.528 -0.76 . . . . 15.0 109.518 -178.784 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 459' ' ' LYS . . . . . 0.407 ' HA ' ' HD2' ' A' ' 460' ' ' PRO . 33.3 tttm -70.96 116.28 44.8 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 116.128 -0.487 . . . . 15.0 109.927 -177.708 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 460' ' ' PRO . . . . . 0.949 ' HG2' ' HB3' ' A' ' 463' ' ' LEU . 11.1 Cg_endo -53.93 150.26 31.18 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 123.625 2.883 . . . . 15.0 112.657 -178.372 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -72.2 -20.09 61.63 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.518 -0.31 . . . . 15.0 111.433 -178.436 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.08 -21.22 33.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.489 0.662 . . . . 15.0 109.907 176.717 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 463' ' ' LEU . . . . . 0.949 ' HB3' ' HG2' ' A' ' 460' ' ' PRO . 29.3 tp -119.98 30.77 6.84 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.184 -0.917 . . . . 15.0 109.269 -179.319 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.242 0.665 0 CA-C-N 115.362 -0.836 . . . . 15.0 110.542 -177.856 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 434' ' ' GLU . . . . . 0.447 ' O ' ' HA ' ' A' ' 449' ' ' ASN . 9.6 mm-40 . . . . . 0 N--CA 1.465 0.292 0 N-CA-C 112.999 0.741 . . . . 15.0 112.999 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 79.5 m95 -94.47 116.7 29.1 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.243 0.544 . . . . 15.0 111.675 -170.06 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 2.9 m -107.25 144.1 34.54 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.643 -0.708 . . . . 15.0 109.558 175.266 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -110.12 125.27 52.82 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.978 0.418 . . . . 15.0 111.354 -176.596 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 438' ' ' TYR . . . . . 0.457 ' O ' ' HA ' ' A' ' 445' ' ' THR . 77.7 m-85 -129.73 134.35 47.57 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.598 -0.728 . . . . 15.0 110.064 176.244 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 0.817 ' HD3' ' C ' ' A' ' 444' ' ' LYS . 4.9 tppp? -91.53 139.34 30.8 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.105 -0.498 . . . . 15.0 109.77 178.149 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 42.6 p -89.44 150.67 22.4 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.704 -0.68 . . . . 15.0 109.847 179.168 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -52.87 -19.72 2.75 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 112.925 0.713 . . . . 15.0 112.925 -178.642 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -89.07 2.75 53.62 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-O 121.381 0.61 . . . . 15.0 110.538 177.856 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 443' ' ' GLY . . . . . 0.452 ' C ' ' HD2' ' A' ' 439' ' ' LYS . . . 90.08 42.32 5.33 Favored Glycine 0 N--CA 1.45 -0.43 0 N-CA-C 115.99 1.156 . . . . 15.0 115.99 166.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.817 ' C ' ' HD3' ' A' ' 439' ' ' LYS . 4.3 mptt -148.24 153.9 39.35 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 117.992 0.896 . . . . 15.0 112.425 168.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 445' ' ' THR . . . . . 0.529 HG23 ' HE3' ' A' ' 439' ' ' LYS . 1.0 OUTLIER -91.8 141.07 29.06 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.78 -0.645 . . . . 15.0 112.216 -177.297 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 54.1 p90 -114.45 141.24 47.94 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.873 -0.788 . . . . 15.0 108.873 172.409 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 447' ' ' TYR . . . . . 0.45 ' OH ' ' HE2' ' A' ' 459' ' ' LYS . 49.5 m-85 -97.1 123.52 40.87 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.192 -0.458 . . . . 15.0 110.418 -174.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 448' ' ' TYR . . . . . 0.477 ' CD2' ' HB3' ' A' ' 455' ' ' SER . 20.0 t80 -125.4 125.65 43.73 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.238 -0.437 . . . . 15.0 110.838 -173.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.521 ' HB3' ' HG2' ' A' ' 454' ' ' GLU . 46.3 t-20 -96.67 128.33 43.51 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.165 -1.05 . . . . 15.0 108.165 172.675 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 48.4 m-80 -78.98 -46.57 17.99 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 112.948 0.721 . . . . 15.0 112.948 -171.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 38.7 mtm180 -90.09 -1.7 57.99 Favored 'General case' 0 N--CA 1.463 0.194 0 C-N-CA 118.362 -1.335 . . . . 15.0 112.58 -173.728 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 452' ' ' THR . . . . . 0.5 ' OG1' ' HB3' ' A' ' 449' ' ' ASN . 68.4 p -91.4 -34.46 14.85 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.712 0.768 . . . . 15.0 109.1 160.118 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 453' ' ' ASP . . . . . . . . . . . . . 30.6 t70 67.93 57.85 0.5 Allowed 'General case' 0 C--O 1.234 0.263 0 CA-C-N 113.569 -1.65 . . . . 15.0 109.925 -174.138 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 454' ' ' GLU . . . . . 0.521 ' HG2' ' HB3' ' A' ' 449' ' ' ASN . 13.0 pt-20 -127.78 145.77 50.81 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.055 -0.975 . . . . 15.0 110.277 -179.68 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 455' ' ' SER . . . . . 0.477 ' HB3' ' CD2' ' A' ' 448' ' ' TYR . 15.3 p -121.65 121.66 37.86 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.195 -0.457 . . . . 15.0 110.056 177.297 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 13.2 t -134.01 150.14 51.23 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.21 0.529 . . . . 15.0 111.022 -177.592 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 87.2 m95 -100.15 2.13 42.73 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.939 -0.573 . . . . 15.0 110.293 178.049 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -100.96 132.9 46.15 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.226 -0.657 . . . . 15.0 109.226 177.534 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 459' ' ' LYS . . . . . 0.45 ' HE2' ' OH ' ' A' ' 447' ' ' TYR . 36.5 ttmt -75.56 118.34 70.15 Favored Pre-proline 0 C--N 1.324 -0.528 0 N-CA-C 112.746 0.647 . . . . 15.0 112.746 -168.237 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 460' ' ' PRO . . . . . 0.624 ' HG2' ' HB3' ' A' ' 463' ' ' LEU . 2.0 Cg_endo -47.13 150.26 3.14 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 124.337 3.358 . . . . 15.0 112.904 172.079 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -63.07 -34.92 78.62 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.175 -0.466 . . . . 15.0 111.004 -178.636 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -79.81 -12.32 59.78 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.7 -0.682 . . . . 15.0 111.457 -177.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 463' ' ' LEU . . . . . 0.624 ' HB3' ' HG2' ' A' ' 460' ' ' PRO . 21.6 tp -114.62 4.06 15.0 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.183 0.516 . . . . 15.0 110.125 -175.51 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 464' ' ' LYS . . . . . 0.441 ' HA ' ' CD ' ' A' ' 459' ' ' LYS . 4.6 ttmp? . . . . . 0 C--O 1.245 0.845 0 CA-C-O 118.348 -0.834 . . . . 15.0 110.097 -179.573 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 . . . . . 0 C--O 1.233 0.211 0 CA-C-O 121.044 0.449 . . . . 15.0 110.55 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 70.3 m95 -105.51 126.63 52.34 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.469 -0.787 . . . . 15.0 110.677 -178.726 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 3.0 m -117.36 144.54 44.82 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.249 -0.432 . . . . 15.0 109.842 175.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -99.97 125.54 46.01 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.125 0.488 . . . . 15.0 110.379 -176.867 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 438' ' ' TYR . . . . . 0.456 ' HB2' ' CZ ' ' A' ' 446' ' ' TYR . 76.8 m-85 -122.39 150.02 43.0 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.717 -0.674 . . . . 15.0 109.684 177.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 0.834 ' HD2' ' N ' ' A' ' 444' ' ' LYS . 3.4 tppp? -103.71 136.13 43.98 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.872 0.368 . . . . 15.0 111.018 179.359 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 440' ' ' THR . . . . . 0.492 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 20.6 p -89.95 150.26 22.24 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.998 -0.546 . . . . 15.0 109.841 173.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -63.92 -0.66 1.16 Allowed 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 113.464 0.913 . . . . 15.0 113.464 -174.51 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -96.25 1.52 52.17 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 122.021 -0.425 . . . . 15.0 110.133 175.313 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.01 54.7 2.12 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.947 -0.644 . . . . 15.0 112.674 177.618 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.834 ' N ' ' HD2' ' A' ' 439' ' ' LYS . 35.3 mttp -147.47 132.24 17.96 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 115.301 1.593 . . . . 15.0 115.301 -177.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 445' ' ' THR . . . . . 0.65 HG23 ' HE3' ' A' ' 439' ' ' LYS . 0.7 OUTLIER -90.04 141.27 28.84 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 116.125 -0.489 . . . . 15.0 111.068 176.003 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 446' ' ' TYR . . . . . 0.461 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 51.8 p90 -140.82 148.72 41.02 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.791 -0.448 . . . . 15.0 109.791 178.646 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 57.1 m-85 -99.7 121.03 40.64 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.565 0.698 . . . . 15.0 111.043 -176.333 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 18.0 t80 -108.42 117.42 34.13 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 114.872 -1.058 . . . . 15.0 109.567 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.665 ' HB3' ' OG1' ' A' ' 452' ' ' THR . 39.2 t-20 -91.39 128.61 37.28 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 108.587 -0.894 . . . . 15.0 108.587 174.515 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 46.1 m-80 -72.1 -47.5 50.84 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 115.895 -0.593 . . . . 15.0 112.243 -175.796 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 78.1 mtm180 -90.1 -1.91 58.02 Favored 'General case' 0 C--N 1.332 -0.154 0 C-N-CA 118.818 -1.153 . . . . 15.0 112.596 -173.255 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 452' ' ' THR . . . . . 0.665 ' OG1' ' HB3' ' A' ' 449' ' ' ASN . 81.3 p -91.12 -39.55 12.09 Favored 'General case' 0 CA--C 1.515 -0.4 0 N-CA-C 108.722 -0.844 . . . . 15.0 108.722 159.47 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 453' ' ' ASP . . . . . . . . . . . . . 31.2 t70 75.09 36.28 0.54 Allowed 'General case' 0 C--N 1.344 0.366 0 CA-C-N 113.334 -1.757 . . . . 15.0 109.518 -175.863 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 454' ' ' GLU . . . . . 0.536 ' HG2' ' OG1' ' A' ' 452' ' ' THR . 11.7 pt-20 -114.12 149.92 34.89 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.055 -0.52 . . . . 15.0 111.016 -178.164 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 5.1 m -119.52 114.54 22.42 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.852 -0.613 . . . . 15.0 109.787 176.451 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 7.0 t -140.49 150.18 43.43 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.153 0.501 . . . . 15.0 111.635 -177.438 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.528 ' HZ3' ' HB3' ' A' ' 444' ' ' LYS . 8.0 m95 -85.92 -3.27 58.88 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.454 -0.793 . . . . 15.0 109.975 178.824 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.7 140.6 35.51 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 108.319 -0.993 . . . . 15.0 108.319 -178.793 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 459' ' ' LYS . . . . . 0.465 ' HA ' ' HD2' ' A' ' 460' ' ' PRO . 42.9 tttm -84.49 116.99 67.65 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-O 120.898 0.38 . . . . 15.0 111.423 -169.568 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 460' ' ' PRO . . . . . 0.833 ' HG2' ' HB3' ' A' ' 463' ' ' LEU . 9.4 Cg_endo -53.24 145.07 45.72 Favored 'Trans proline' 0 C--N 1.343 0.27 0 C-N-CA 123.589 2.859 . . . . 15.0 112.674 177.733 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 33.2 mm-40 -78.95 -15.84 57.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.309 -0.405 . . . . 15.0 111.661 -178.527 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -88.75 -16.54 31.93 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.395 0.616 . . . . 15.0 110.239 175.511 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 463' ' ' LEU . . . . . 0.833 ' HB3' ' HG2' ' A' ' 460' ' ' PRO . 31.0 tp -119.88 35.06 4.97 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.147 -1.057 . . . . 15.0 108.147 176.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 85.7 tttt . . . . . 0 C--O 1.245 0.861 0 CA-C-N 114.882 -1.053 . . . . 15.0 110.731 -174.74 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 434' ' ' GLU . . . . . 0.771 ' HG2' HD21 ' A' ' 449' ' ' ASN . 20.7 tt0 . . . . . 0 C--O 1.236 0.362 0 CA-C-O 120.763 0.316 . . . . 15.0 111.272 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 89.7 m95 -117.57 148.45 41.89 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.896 -0.593 . . . . 15.0 111.043 -173.567 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 3.9 m -150.01 145.72 26.59 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.166 -0.679 . . . . 15.0 109.166 171.479 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 437' ' ' GLU . . . . . 0.419 ' HA ' ' O ' ' A' ' 446' ' ' TYR . 0.7 OUTLIER -112.41 127.65 56.08 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.508 0.671 . . . . 15.0 110.247 179.24 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 438' ' ' TYR . . . . . 0.52 ' O ' ' HA ' ' A' ' 445' ' ' THR . 98.9 m-85 -115.8 142.79 46.3 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.008 -0.542 . . . . 15.0 110.167 -178.104 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 0.764 ' HZ2' HG23 ' A' ' 445' ' ' THR . 0.0 OUTLIER -89.87 128.51 36.2 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.404 -0.591 . . . . 15.0 109.404 178.347 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 16.4 p -89.58 150.92 22.19 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 115.299 -0.864 . . . . 15.0 110.046 -178.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -47.81 -20.49 0.3 Allowed 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 113.336 0.865 . . . . 15.0 113.336 -178.69 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -81.17 -3.62 52.76 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 121.09 0.471 . . . . 15.0 111.049 177.055 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 443' ' ' GLY . . . . . 0.441 ' C ' ' HD2' ' A' ' 439' ' ' LYS . . . 90.22 40.31 5.82 Favored Glycine 0 N--CA 1.449 -0.49 0 N-CA-C 114.696 0.639 . . . . 15.0 114.696 171.791 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.759 ' C ' ' HD3' ' A' ' 439' ' ' LYS . 41.6 mmtm -145.32 153.68 41.52 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 117.648 0.724 . . . . 15.0 112.627 173.148 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 445' ' ' THR . . . . . 0.764 HG23 ' HZ2' ' A' ' 439' ' ' LYS . 0.6 OUTLIER -92.83 140.58 29.36 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.854 -0.612 . . . . 15.0 111.248 176.701 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 446' ' ' TYR . . . . . 0.419 ' O ' ' HA ' ' A' ' 437' ' ' GLU . 43.1 p90 -122.23 143.81 49.36 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.603 -0.888 . . . . 15.0 108.603 176.386 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -90.04 114.44 26.32 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-O 121.332 0.587 . . . . 15.0 110.21 -174.737 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -110.88 122.22 47.32 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.326 -0.852 . . . . 15.0 111.031 -175.362 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.771 HD21 ' HG2' ' A' ' 434' ' ' GLU . 24.3 t-20 -95.26 127.48 41.34 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.339 -0.986 . . . . 15.0 108.339 169.597 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 41.9 m-80 -70.96 -48.23 54.55 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 112.852 0.686 . . . . 15.0 112.852 -172.251 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 77.9 mtm180 -90.48 -1.33 57.89 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 118.604 -1.238 . . . . 15.0 112.612 -171.659 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 452' ' ' THR . . . . . 0.605 ' OG1' ' HB3' ' A' ' 449' ' ' ASN . 73.6 p -91.0 -38.48 12.8 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.594 0.711 . . . . 15.0 109.142 159.433 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 453' ' ' ASP . . . . . . . . . . . . . 31.9 t70 72.09 37.33 1.01 Allowed 'General case' 0 C--N 1.343 0.324 0 CA-C-N 113.683 -1.599 . . . . 15.0 109.384 -173.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -101.22 137.12 39.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.496 -0.774 . . . . 15.0 110.876 -179.267 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 18.6 m -106.49 105.44 15.48 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.221 -0.659 . . . . 15.0 109.221 173.249 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 15.3 t -120.87 150.05 41.65 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.87 0.367 . . . . 15.0 110.725 -175.102 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 78.8 m95 -105.16 5.68 32.47 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.106 0.479 . . . . 15.0 110.231 -179.361 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -97.87 134.32 41.17 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.24 -0.652 . . . . 15.0 109.24 177.591 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 459' ' ' LYS . . . . . 0.962 ' HD3' ' HA ' ' A' ' 464' ' ' LYS . 27.5 ttmt -75.79 118.87 74.21 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.012 0.434 . . . . 15.0 112.061 -173.292 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 460' ' ' PRO . . . . . 0.5 ' HD2' ' HB3' ' A' ' 463' ' ' LEU . 14.3 Cg_exo -70.28 149.37 63.48 Favored 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 123.418 2.746 . . . . 15.0 111.852 176.879 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 461' ' ' GLN . . . . . 0.482 ' CD ' ' H ' ' A' ' 461' ' ' GLN . 3.3 pm0 -67.3 -19.16 65.44 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.106 -0.497 . . . . 15.0 112.211 -176.28 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -91.79 -8.16 47.51 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.81 0.338 . . . . 15.0 110.827 176.702 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 463' ' ' LEU . . . . . 0.5 ' HB3' ' HD2' ' A' ' 460' ' ' PRO . 32.1 tp -119.81 9.11 11.25 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.25 -0.432 . . . . 15.0 110.948 -176.259 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 464' ' ' LYS . . . . . 0.962 ' HA ' ' HD3' ' A' ' 459' ' ' LYS . 1.1 pptp? . . . . . 0 C--O 1.248 0.994 0 CA-C-O 119.089 -0.482 . . . . 15.0 112.059 -177.425 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 . . . . . 0 N--CA 1.455 -0.218 0 CA-C-O 120.868 0.366 . . . . 15.0 110.391 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 92.0 m95 -107.58 112.39 25.1 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.526 -0.761 . . . . 15.0 109.78 177.154 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 8.9 m -110.86 149.55 30.44 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.235 -0.439 . . . . 15.0 110.494 -178.598 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 437' ' ' GLU . . . . . 0.405 ' HG2' ' CE1' ' A' ' 447' ' ' TYR . 40.1 mt-10 -103.1 134.74 46.02 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.236 -0.438 . . . . 15.0 111.045 -179.572 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 438' ' ' TYR . . . . . 0.48 ' O ' ' HA ' ' A' ' 445' ' ' THR . 72.6 m-85 -128.57 124.84 36.97 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.867 -0.79 . . . . 15.0 108.867 171.549 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 0.801 ' HD3' ' C ' ' A' ' 444' ' ' LYS . 4.9 tppp? -89.79 121.99 32.45 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.996 0.427 . . . . 15.0 110.072 -177.86 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 3.3 p -89.85 150.42 22.23 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.786 -0.643 . . . . 15.0 110.12 178.011 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -48.41 -19.56 0.32 Allowed 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 114.263 1.209 . . . . 15.0 114.263 -175.216 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -74.33 -4.28 35.37 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.167 0.508 . . . . 15.0 110.381 177.436 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.2 37.38 6.71 Favored Glycine 0 N--CA 1.445 -0.705 0 CA-C-N 115.617 -0.72 . . . . 15.0 114.302 172.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.801 ' C ' ' HD3' ' A' ' 439' ' ' LYS . 29.8 mtmm -152.1 156.98 40.95 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 117.247 0.523 . . . . 15.0 112.299 173.011 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 445' ' ' THR . . . . . 0.496 ' N ' ' HD3' ' A' ' 439' ' ' LYS . 18.9 p -92.54 139.01 31.02 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.717 -0.674 . . . . 15.0 111.304 177.77 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 446' ' ' TYR . . . . . 0.409 ' CE1' ' HB2' ' A' ' 438' ' ' TYR . 53.3 p90 -103.81 140.14 38.06 Favored 'General case' 0 N--CA 1.446 -0.641 0 N-CA-C 108.197 -1.038 . . . . 15.0 108.197 169.272 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 447' ' ' TYR . . . . . 0.405 ' CE1' ' HG2' ' A' ' 437' ' ' GLU . 53.4 m-85 -89.81 118.38 29.35 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-O 121.536 0.684 . . . . 15.0 110.712 -173.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 36.9 t80 -112.89 117.92 33.45 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 114.86 -1.063 . . . . 15.0 110.001 -175.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.501 ' HB3' ' OG1' ' A' ' 452' ' ' THR . 22.9 t-20 -90.07 129.56 36.36 Favored 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 108.525 -0.917 . . . . 15.0 108.525 174.442 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 52.5 m-80 -78.41 -46.51 19.68 Favored 'General case' 0 C--N 1.311 -1.07 0 N-CA-C 112.466 0.543 . . . . 15.0 112.466 -174.363 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 22.0 mtm180 -90.78 -1.66 57.84 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 118.409 -1.316 . . . . 15.0 113.017 -172.008 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 452' ' ' THR . . . . . 0.501 ' OG1' ' HB3' ' A' ' 449' ' ' ASN . 73.0 p -91.55 -38.54 12.44 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 122.027 0.918 . . . . 15.0 109.184 159.016 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 453' ' ' ASP . . . . . . . . . . . . . 19.6 t70 69.47 71.46 0.25 Allowed 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 112.887 -1.961 . . . . 15.0 109.946 -171.181 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 454' ' ' GLU . . . . . 0.44 ' HG2' ' OG1' ' A' ' 452' ' ' THR . 12.3 pt-20 -144.32 149.97 37.07 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.476 -0.784 . . . . 15.0 111.099 179.616 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 8.9 m -116.84 117.04 28.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.066 -0.515 . . . . 15.0 110.347 177.017 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 9.9 t -133.07 146.4 51.64 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 110.211 -0.292 . . . . 15.0 110.211 -179.753 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 90.4 m95 -92.16 -3.61 55.37 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.871 0.367 . . . . 15.0 111.024 -179.667 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -92.09 143.3 26.6 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.82 -0.437 . . . . 15.0 109.82 178.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 459' ' ' LYS . . . . . 0.504 ' HE2' ' O ' ' A' ' 463' ' ' LEU . 64.2 tttt -74.31 120.56 82.04 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-N 116.158 -0.474 . . . . 15.0 111.226 -173.712 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 460' ' ' PRO . . . . . 0.582 ' HG2' ' HB3' ' A' ' 463' ' ' LEU . 6.8 Cg_endo -51.82 144.56 34.69 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 123.93 3.086 . . . . 15.0 112.819 176.632 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 461' ' ' GLN . . . . . 0.511 ' NE2' ' H ' ' A' ' 461' ' ' GLN . 0.3 OUTLIER -64.81 -21.68 66.83 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 116.118 -0.492 . . . . 15.0 111.889 -178.869 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -88.43 -2.07 58.4 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.409 -0.359 . . . . 15.0 111.331 179.181 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 463' ' ' LEU . . . . . 0.582 ' HB3' ' HG2' ' A' ' 460' ' ' PRO . 54.5 tp -120.29 3.21 10.85 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 111.639 0.237 . . . . 15.0 111.639 -177.61 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 464' ' ' LYS . . . . . 0.462 ' HD2' ' HD3' ' A' ' 459' ' ' LYS . 13.9 mmmm . . . . . 0 C--O 1.251 1.151 0 CA-C-O 117.959 -1.02 . . . . 15.0 111.664 -175.341 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 . . . . . 0 CA--C 1.537 0.455 0 N-CA-C 113.081 0.771 . . . . 15.0 113.081 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 89.1 m95 -103.56 129.23 50.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.763 0.316 . . . . 15.0 110.821 -179.283 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 3.9 m -120.91 145.84 47.25 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.753 -0.462 . . . . 15.0 109.753 175.357 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -111.38 130.05 55.81 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.411 0.624 . . . . 15.0 111.081 -177.545 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 84.6 m-85 -125.45 144.28 50.6 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.588 -0.733 . . . . 15.0 109.63 179.015 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 0.809 ' HD2' ' N ' ' A' ' 444' ' ' LYS . 0.0 OUTLIER -105.87 136.97 44.56 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.015 0.436 . . . . 15.0 110.965 -178.855 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 14.1 p -89.84 150.21 22.33 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.637 -0.711 . . . . 15.0 109.471 172.399 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -66.02 -1.68 3.33 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 113.261 0.838 . . . . 15.0 113.261 -171.624 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 30.5 p-10 -96.02 5.32 51.44 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.98 0.419 . . . . 15.0 110.629 179.384 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.07 51.23 2.85 Favored Glycine 0 N--CA 1.452 -0.292 0 CA-C-N 115.953 -0.567 . . . . 15.0 113.016 175.338 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.809 ' N ' ' HD2' ' A' ' 439' ' ' LYS . 23.0 mtmm -150.93 130.84 13.3 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 115.023 1.49 . . . . 15.0 115.023 178.878 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 445' ' ' THR . . . . . 0.406 ' HA ' ' HA ' ' A' ' 439' ' ' LYS . 0.2 OUTLIER -98.47 150.18 21.93 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-O 121.078 0.466 . . . . 15.0 110.62 175.605 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 446' ' ' TYR . . . . . 0.444 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 55.0 p90 -139.31 145.11 38.69 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.508 -0.769 . . . . 15.0 109.25 -179.717 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -102.79 120.37 40.46 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.458 0.647 . . . . 15.0 111.02 -173.563 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 39.9 t80 -110.04 122.13 46.88 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.034 -0.985 . . . . 15.0 110.33 -179.501 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.671 ' HB3' ' OG1' ' A' ' 452' ' ' THR . 23.3 t-20 -89.93 128.03 36.14 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.868 -0.79 . . . . 15.0 108.868 173.752 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 44.8 m-80 -73.18 -43.32 61.61 Favored 'General case' 0 C--N 1.314 -0.938 0 N-CA-C 112.472 0.545 . . . . 15.0 112.472 -175.173 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 65.0 mtm180 -90.18 -1.9 58.0 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 118.61 -1.236 . . . . 15.0 112.416 -172.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 452' ' ' THR . . . . . 0.671 ' OG1' ' HB3' ' A' ' 449' ' ' ASN . 68.9 p -91.55 -40.31 11.43 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.486 0.66 . . . . 15.0 109.718 159.47 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 453' ' ' ASP . . . . . . . . . . . . . 33.1 t70 75.52 37.46 0.43 Allowed 'General case' 0 C--N 1.344 0.335 0 CA-C-N 113.455 -1.702 . . . . 15.0 109.551 -172.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 454' ' ' GLU . . . . . 0.611 ' HG2' ' OG1' ' A' ' 452' ' ' THR . 14.0 pt-20 -117.96 137.5 52.8 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.885 -0.598 . . . . 15.0 111.015 178.535 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 17.0 p -112.22 118.66 35.92 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.963 -0.562 . . . . 15.0 110.078 176.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 9.0 t -130.4 150.06 51.79 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.983 0.42 . . . . 15.0 111.145 -176.166 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.541 ' HZ3' ' HB3' ' A' ' 444' ' ' LYS . 56.8 m95 -90.58 -2.22 57.88 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.279 0.561 . . . . 15.0 109.643 177.664 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -93.67 141.01 28.97 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.307 -0.861 . . . . 15.0 109.399 -176.012 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 459' ' ' LYS . . . . . 0.74 ' HD3' ' HA ' ' A' ' 464' ' ' LYS . 19.9 ttmm -75.69 119.02 75.21 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-O 120.968 0.413 . . . . 15.0 111.934 -173.431 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 460' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 459' ' ' LYS . 15.7 Cg_exo -69.1 149.3 70.95 Favored 'Trans proline' 0 C--N 1.343 0.258 0 C-N-CA 123.021 2.481 . . . . 15.0 111.306 175.242 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 59.3 tp60 -61.26 -32.46 72.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.52 -0.309 . . . . 15.0 111.525 -177.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -73.05 -11.77 60.67 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.996 0.427 . . . . 15.0 111.06 178.608 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 22.1 tp -119.99 22.54 11.44 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.137 0.494 . . . . 15.0 109.892 -179.036 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 464' ' ' LYS . . . . . 0.74 ' HA ' ' HD3' ' A' ' 459' ' ' LYS . 51.4 tptt . . . . . 0 C--O 1.251 1.155 0 CA-C-N 115.599 -0.728 . . . . 15.0 110.674 177.584 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 434' ' ' GLU . . . . . 0.441 ' O ' ' HA ' ' A' ' 449' ' ' ASN . 13.5 pt-20 . . . . . 0 CA--C 1.52 -0.175 0 CA-C-O 121.101 0.477 . . . . 15.0 110.746 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 94.0 m95 -107.02 124.19 49.28 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.518 -0.765 . . . . 15.0 109.837 175.325 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 2.8 m -122.22 144.68 48.82 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.217 -0.66 . . . . 15.0 109.217 174.282 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -95.77 150.11 20.76 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 121.48 0.657 . . . . 15.0 109.362 178.276 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -137.24 150.12 47.63 Favored 'General case' 0 C--N 1.305 -1.342 0 CA-C-N 114.702 -1.136 . . . . 15.0 108.129 178.465 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 0.935 ' HD2' ' H ' ' A' ' 444' ' ' LYS . 0.1 OUTLIER -119.25 136.18 54.34 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.007 0.432 . . . . 15.0 111.618 -173.585 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 440' ' ' THR . . . . . 0.56 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 21.9 p -89.81 150.27 22.32 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.671 -0.695 . . . . 15.0 109.462 172.041 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -58.12 -14.96 7.86 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 113.572 0.953 . . . . 15.0 113.572 -172.785 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -89.78 0.63 56.89 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 122.078 -0.389 . . . . 15.0 111.481 -179.307 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.91 73.58 1.27 Allowed Glycine 0 C--O 1.23 -0.112 0 C-N-CA 120.757 -0.735 . . . . 15.0 112.383 177.09 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.935 ' H ' ' HD2' ' A' ' 439' ' ' LYS . 37.9 mttp -154.99 129.45 9.1 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 115.641 1.719 . . . . 15.0 115.641 -176.379 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 5.4 p -90.21 138.22 31.7 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 115.642 -0.708 . . . . 15.0 111.615 176.34 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 50.8 p90 -146.22 138.67 25.32 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 108.666 -0.864 . . . . 15.0 108.666 170.792 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 53.9 m-85 -105.26 126.31 51.96 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.376 0.607 . . . . 15.0 111.393 -170.122 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 448' ' ' TYR . . . . . 0.731 ' CD2' ' HB3' ' A' ' 455' ' ' SER . 19.0 t80 -111.92 124.43 52.35 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.024 -0.989 . . . . 15.0 109.734 -177.204 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.693 ' HB3' ' OG1' ' A' ' 452' ' ' THR . 20.4 t-20 -96.79 125.71 41.43 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 108.496 -0.927 . . . . 15.0 108.496 174.43 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 59.5 m-80 -74.6 -43.2 56.71 Favored 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 112.551 0.575 . . . . 15.0 112.551 -172.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 61.5 mtm180 -89.84 -2.05 58.12 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 118.994 -1.082 . . . . 15.0 112.604 -173.631 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 452' ' ' THR . . . . . 0.693 ' OG1' ' HB3' ' A' ' 449' ' ' ASN . 77.2 p -91.16 -35.37 14.59 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.503 0.668 . . . . 15.0 109.207 159.211 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 453' ' ' ASP . . . . . . . . . . . . . 35.5 t70 76.17 25.14 1.07 Allowed 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 113.363 -1.744 . . . . 15.0 110.011 -175.186 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 454' ' ' GLU . . . . . 0.645 ' HG2' ' OG1' ' A' ' 452' ' ' THR . 10.5 pt-20 -114.35 144.94 42.46 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.164 0.507 . . . . 15.0 111.18 -177.443 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 455' ' ' SER . . . . . 0.731 ' HB3' ' CD2' ' A' ' 448' ' ' TYR . 22.1 p -117.05 126.87 53.52 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.796 -0.638 . . . . 15.0 110.278 176.843 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 12.5 t -128.02 150.08 50.08 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.017 0.437 . . . . 15.0 110.688 -179.598 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.447 ' HZ3' ' HB3' ' A' ' 444' ' ' LYS . 74.9 m95 -92.39 -1.43 57.03 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.317 0.58 . . . . 15.0 110.152 178.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -90.57 148.42 22.7 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.574 -0.739 . . . . 15.0 109.651 178.523 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 59.8 tttp -80.81 114.54 49.1 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-N 116.559 -0.291 . . . . 15.0 110.232 -179.234 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_exo -59.57 148.63 86.52 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 123.668 2.912 . . . . 15.0 113.033 -176.37 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 461' ' ' GLN . . . . . 0.48 ' HA ' ' HB2' ' A' ' 464' ' ' LYS . 9.5 mm100 -63.52 -30.68 71.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.833 -0.621 . . . . 15.0 111.693 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -78.6 -6.73 56.4 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.128 0.49 . . . . 15.0 110.825 178.645 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 463' ' ' LEU . . . . . 0.434 ' HG ' ' O ' ' A' ' 463' ' ' LEU . 34.4 tp -120.0 9.65 11.27 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.694 -0.684 . . . . 15.0 109.317 178.171 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 464' ' ' LYS . . . . . 0.48 ' HB2' ' HA ' ' A' ' 461' ' ' GLN . 16.3 tptp . . . . . 0 C--O 1.248 1.002 0 CA-C-N 115.627 -0.715 . . . . 15.0 111.342 -171.349 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 434' ' ' GLU . . . . . 0.479 ' O ' ' HA ' ' A' ' 449' ' ' ASN . 56.9 mm-40 . . . . . 0 CA--C 1.532 0.26 0 N-CA-C 113.35 0.87 . . . . 15.0 113.35 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.427 ' CD2' ' HB2' ' A' ' 449' ' ' ASN . 79.0 m95 -101.64 126.95 48.56 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.981 0.42 . . . . 15.0 111.378 -172.3 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 6.4 m -118.77 148.0 43.29 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.299 -0.41 . . . . 15.0 110.026 176.002 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 437' ' ' GLU . . . . . 0.441 ' HG2' ' CE1' ' A' ' 447' ' ' TYR . 46.3 mt-10 -91.63 132.81 36.07 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.44 -0.345 . . . . 15.0 111.32 -179.279 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 438' ' ' TYR . . . . . 0.484 ' O ' ' HA ' ' A' ' 445' ' ' THR . 87.9 m-85 -129.6 128.65 43.11 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.342 -0.614 . . . . 15.0 109.342 172.887 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 0.783 ' HD3' ' C ' ' A' ' 444' ' ' LYS . 4.4 tppp? -96.64 131.75 42.98 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.139 0.495 . . . . 15.0 111.041 -174.116 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 9.0 p -89.93 150.55 22.12 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.686 -0.688 . . . . 15.0 109.381 174.639 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -53.66 -16.06 1.47 Allowed 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 113.931 1.085 . . . . 15.0 113.931 -171.738 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 442' ' ' ASP . . . . . 0.447 ' OD2' ' HE2' ' A' ' 444' ' ' LYS . 9.3 p-10 -81.15 0.75 34.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.201 0.524 . . . . 15.0 110.257 177.72 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 443' ' ' GLY . . . . . 0.48 ' C ' ' HD2' ' A' ' 439' ' ' LYS . . . 90.24 40.12 5.86 Favored Glycine 0 N--CA 1.449 -0.498 0 CA-C-N 115.574 -0.739 . . . . 15.0 114.323 170.303 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.783 ' C ' ' HD3' ' A' ' 439' ' ' LYS . 35.0 mtmt -148.69 150.76 33.74 Favored 'General case' 0 N--CA 1.468 0.475 0 N-CA-C 113.239 0.829 . . . . 15.0 113.239 173.472 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 445' ' ' THR . . . . . 0.504 ' N ' ' HD3' ' A' ' 439' ' ' LYS . 2.0 p -97.33 141.97 29.77 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.497 -0.774 . . . . 15.0 112.237 -178.752 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 53.3 p90 -111.5 143.62 42.06 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.759 -0.83 . . . . 15.0 108.759 169.788 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 447' ' ' TYR . . . . . 0.441 ' CE1' ' HG2' ' A' ' 437' ' ' GLU . 42.3 m-85 -90.01 118.25 29.42 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.894 0.378 . . . . 15.0 110.646 -174.566 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 32.9 t80 -114.12 119.56 37.53 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.596 -0.729 . . . . 15.0 110.452 -175.476 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.571 ' HB3' ' OG1' ' A' ' 452' ' ' THR . 35.0 t-20 -94.5 133.62 37.92 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.697 -0.853 . . . . 15.0 108.697 175.388 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 50.7 m-80 -73.45 -53.94 9.47 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 112.964 0.727 . . . . 15.0 112.964 -174.721 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 38.8 mtm180 -90.17 -1.01 57.89 Favored 'General case' 0 N--CA 1.462 0.131 0 C-N-CA 118.729 -1.189 . . . . 15.0 112.469 -171.816 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 452' ' ' THR . . . . . 0.579 ' OG1' ' HG2' ' A' ' 454' ' ' GLU . 71.4 p -91.14 -36.98 13.66 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.725 -0.843 . . . . 15.0 108.725 159.083 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 453' ' ' ASP . . . . . . . . . . . . . 13.5 t70 68.47 45.95 1.08 Allowed 'General case' 0 C--N 1.338 0.099 0 CA-C-N 113.76 -1.564 . . . . 15.0 110.025 -178.163 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 454' ' ' GLU . . . . . 0.579 ' HG2' ' OG1' ' A' ' 452' ' ' THR . 13.1 pt-20 -129.88 144.82 51.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.523 -0.762 . . . . 15.0 110.747 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 48.5 p -112.18 123.54 50.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.972 -0.558 . . . . 15.0 110.544 178.479 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 10.0 t -119.86 150.11 40.98 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.084 0.469 . . . . 15.0 110.313 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 88.1 m95 -100.54 -1.44 35.57 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.967 -0.56 . . . . 15.0 110.377 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -109.82 150.84 27.79 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.828 -0.624 . . . . 15.0 109.364 175.88 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -59.24 130.18 86.93 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.345 0.593 . . . . 15.0 112.599 -175.222 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -61.09 150.25 85.22 Favored 'Trans proline' 0 C--O 1.234 0.281 0 C-N-CA 123.56 2.84 . . . . 15.0 111.969 174.669 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 461' ' ' GLN . . . . . 0.492 ' OE1' ' HE3' ' A' ' 464' ' ' LYS . 18.6 mm-40 -56.07 -32.55 64.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 15.0 111.66 -177.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -80.41 -10.16 59.75 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.321 -0.4 . . . . 15.0 111.835 -179.416 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 29.5 tp -106.17 0.2 25.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.121 0.486 . . . . 15.0 110.666 -177.186 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 464' ' ' LYS . . . . . 0.492 ' HE3' ' OE1' ' A' ' 461' ' ' GLN . 2.2 pptp? . . . . . 0 C--O 1.248 0.983 0 CA-C-O 118.463 -0.78 . . . . 15.0 110.037 178.565 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.714 0 N-CA-C 111.663 -0.575 . . . . 15.0 111.663 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -85.07 171.56 11.96 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.205 0.526 . . . . 15.0 111.578 -177.015 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 9.3 p -134.55 143.82 47.62 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.556 -0.747 . . . . 15.0 110.873 178.006 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . 57.09 86.93 0.07 Allowed 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 113.491 0.923 . . . . 15.0 113.491 177.585 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 432' ' ' VAL . . . . . 0.93 HG23 HD13 ' A' ' 463' ' ' LEU . 76.3 t -103.29 96.56 4.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 N-CA-C 109.635 -0.505 . . . . 15.0 109.635 171.513 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 95.6 p 51.94 -120.79 1.72 Allowed 'General case' 0 N--CA 1.462 0.144 0 CA-C-O 122.036 0.922 . . . . 15.0 111.826 175.699 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -46.53 -27.64 1.18 Allowed 'General case' 0 C--N 1.291 -1.959 0 CA-C-N 113.251 -1.795 . . . . 15.0 113.357 177.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 92.5 m95 -100.35 128.96 46.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.907 0.384 . . . . 15.0 111.051 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 4.0 m -144.24 145.44 32.05 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 109.388 -0.597 . . . . 15.0 109.388 172.75 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 437' ' ' GLU . . . . . 0.549 ' HB3' ' CD1' ' A' ' 447' ' ' TYR . 1.4 pm0 -122.41 144.05 49.29 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.254 0.549 . . . . 15.0 111.321 -179.304 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 438' ' ' TYR . . . . . 0.421 ' O ' ' HA ' ' A' ' 445' ' ' THR . 58.2 m-85 -124.91 141.58 52.03 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.517 -0.765 . . . . 15.0 108.984 176.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 0.795 ' HD3' ' C ' ' A' ' 444' ' ' LYS . 5.2 tppp? -89.94 128.96 36.34 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.096 0.474 . . . . 15.0 110.016 179.344 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 26.8 p -89.64 150.71 22.25 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.464 -0.789 . . . . 15.0 109.896 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -44.89 -29.89 0.9 Allowed 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 113.622 0.971 . . . . 15.0 113.622 -176.625 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -73.96 -0.44 16.21 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 120.956 0.407 . . . . 15.0 111.099 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 443' ' ' GLY . . . . . 0.485 ' C ' ' HD2' ' A' ' 439' ' ' LYS . . . 90.24 37.61 6.62 Favored Glycine 0 N--CA 1.445 -0.712 0 CA-C-N 115.872 -0.604 . . . . 15.0 113.959 171.456 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.795 ' C ' ' HD3' ' A' ' 439' ' ' LYS . 39.0 mttp -148.06 150.69 34.38 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 113.2 0.815 . . . . 15.0 113.2 176.527 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 445' ' ' THR . . . . . 0.499 ' N ' ' HD3' ' A' ' 439' ' ' LYS . 1.3 p -93.09 141.19 28.69 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.613 -0.721 . . . . 15.0 112.16 -179.206 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 44.4 p90 -113.99 133.49 55.46 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.018 -0.734 . . . . 15.0 109.018 170.659 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 447' ' ' TYR . . . . . 0.549 ' CD1' ' HB3' ' A' ' 437' ' ' GLU . 55.3 m-85 -97.15 116.85 30.11 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.321 -0.854 . . . . 15.0 110.345 -172.759 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -110.62 123.67 50.42 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.216 -0.902 . . . . 15.0 110.183 -173.668 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.548 ' HB3' ' OG1' ' A' ' 452' ' ' THR . 23.8 t-20 -99.49 125.38 45.22 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 108.492 -0.929 . . . . 15.0 108.492 171.75 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 45.8 m-80 -74.62 -45.08 47.31 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 113.134 0.79 . . . . 15.0 113.134 -171.307 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 15.2 mtm180 -90.31 -1.76 57.95 Favored 'General case' 0 C--N 1.333 -0.138 0 C-N-CA 118.249 -1.38 . . . . 15.0 112.334 -173.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 452' ' ' THR . . . . . 0.548 ' OG1' ' HB3' ' A' ' 449' ' ' ASN . 69.2 p -91.46 -36.54 13.7 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.268 -0.641 . . . . 15.0 109.268 158.83 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 453' ' ' ASP . . . . . . . . . . . . . 32.4 t70 78.57 20.94 0.81 Allowed 'General case' 0 C--N 1.343 0.317 0 CA-C-N 113.71 -1.586 . . . . 15.0 109.804 -174.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -94.54 149.93 20.75 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.158 -0.474 . . . . 15.0 110.786 -175.077 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 13.0 m -124.62 116.14 21.93 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.001 -0.545 . . . . 15.0 109.932 176.065 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 11.2 t -127.49 149.94 49.89 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.413 -0.358 . . . . 15.0 110.241 -177.723 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 81.3 m95 -94.29 6.5 48.47 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.03 0.443 . . . . 15.0 110.784 -177.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -102.92 140.11 37.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.968 -0.56 . . . . 15.0 109.917 176.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 459' ' ' LYS . . . . . 1.016 ' HE3' ' HG ' ' A' ' 463' ' ' LEU . 45.0 tptt -69.78 119.0 68.46 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 115.716 -0.675 . . . . 15.0 110.29 -177.583 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.67 ' HG2' ' HB3' ' A' ' 463' ' ' LEU . 5.7 Cg_endo -51.92 143.96 37.78 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 123.4 2.733 . . . . 15.0 112.245 176.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 461' ' ' GLN . . . . . 0.438 ' H ' ' HG3' ' A' ' 461' ' ' GLN . 1.1 pp0? -74.19 -10.46 59.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.991 0.424 . . . . 15.0 112.116 -176.508 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -86.3 -11.22 52.81 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.207 0.527 . . . . 15.0 110.409 171.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 1.016 ' HG ' ' HE3' ' A' ' 459' ' ' LYS . 29.5 tp -119.98 0.34 10.76 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.532 -0.758 . . . . 15.0 110.323 -175.773 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 464' ' ' LYS . . . . . 0.454 ' CE ' ' HB3' ' A' ' 459' ' ' LYS . 40.5 ttmt . . . . . 0 C--O 1.25 1.122 0 CA-C-O 118.338 -0.839 . . . . 15.0 109.91 -178.291 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.637 0 N-CA-C 112.185 -0.366 . . . . 15.0 112.185 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -95.21 113.24 24.9 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.997 -0.372 . . . . 15.0 109.997 175.374 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 6.7 m -83.69 -19.21 35.71 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.124 -0.489 . . . . 15.0 111.533 -175.434 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -173.83 122.43 0.33 Allowed 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.436 -0.802 . . . . 15.0 110.525 -178.06 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 88.5 t 72.48 135.91 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 O-C-N 123.766 0.666 . . . . 15.0 111.27 177.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 20.0 m 72.62 15.59 4.92 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-O 122.085 0.945 . . . . 15.0 109.566 -178.191 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -89.95 -12.18 39.54 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 114.141 -1.39 . . . . 15.0 110.483 -179.228 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 70.2 m95 -94.26 118.42 31.56 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.572 -0.74 . . . . 15.0 109.567 176.316 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 2.6 m -115.35 144.91 43.07 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 116.259 -0.428 . . . . 15.0 110.523 -177.199 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -96.01 132.3 41.5 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.076 0.465 . . . . 15.0 110.756 -179.061 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 438' ' ' TYR . . . . . 0.509 ' O ' ' HA ' ' A' ' 445' ' ' THR . 94.1 m-85 -129.88 131.81 46.2 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.591 -0.731 . . . . 15.0 109.233 173.624 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 0.795 ' HD3' ' C ' ' A' ' 444' ' ' LYS . 4.2 tppp? -92.15 130.53 37.85 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.186 0.517 . . . . 15.0 110.811 -174.775 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 8.2 p -89.62 150.79 22.22 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.19 -0.914 . . . . 15.0 109.822 178.612 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -46.34 -26.34 0.81 Allowed 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 113.649 0.981 . . . . 15.0 113.649 -175.607 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 442' ' ' ASP . . . . . 0.418 ' OD2' ' HG2' ' A' ' 444' ' ' LYS . 1.5 p-10 -75.06 -5.23 43.0 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 121.243 0.544 . . . . 15.0 110.529 179.008 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 443' ' ' GLY . . . . . 0.571 ' O ' ' HD3' ' A' ' 444' ' ' LYS . . . 90.26 41.28 5.55 Favored Glycine 0 N--CA 1.444 -0.807 0 CA-C-N 115.573 -0.74 . . . . 15.0 114.291 174.241 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.795 ' C ' ' HD3' ' A' ' 439' ' ' LYS . 34.2 mmtm -141.8 150.51 41.77 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 118.013 0.906 . . . . 15.0 112.489 172.191 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 445' ' ' THR . . . . . 0.537 ' N ' ' HD3' ' A' ' 439' ' ' LYS . 22.2 p -92.78 135.22 34.31 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 121.116 0.484 . . . . 15.0 111.508 177.114 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 55.5 p90 -103.72 147.67 26.98 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 108.695 -0.854 . . . . 15.0 108.695 172.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 447' ' ' TYR . . . . . 0.402 ' CE2' ' HG3' ' A' ' 459' ' ' LYS . 29.1 m-85 -94.64 112.17 23.92 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 121.45 0.643 . . . . 15.0 110.404 -174.47 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 448' ' ' TYR . . . . . 0.405 ' CE1' ' HA ' ' A' ' 453' ' ' ASP . 52.8 t80 -107.71 122.04 45.92 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.134 -0.939 . . . . 15.0 110.967 -176.639 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.578 ' HB3' ' OG1' ' A' ' 452' ' ' THR . 26.6 t-20 -92.16 137.08 32.66 Favored 'General case' 0 CA--C 1.513 -0.468 0 N-CA-C 109.153 -0.684 . . . . 15.0 109.153 173.256 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 25.8 m-80 -77.11 -45.93 25.27 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 113.258 0.836 . . . . 15.0 113.258 -173.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 33.5 mtm105 -90.26 -1.72 57.95 Favored 'General case' 0 C--O 1.233 0.194 0 C-N-CA 118.239 -1.384 . . . . 15.0 112.142 -172.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 452' ' ' THR . . . . . 0.578 ' OG1' ' HB3' ' A' ' 449' ' ' ASN . 45.3 p -91.83 -39.12 11.94 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.351 0.595 . . . . 15.0 110.231 159.177 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 453' ' ' ASP . . . . . 0.405 ' HA ' ' CE1' ' A' ' 448' ' ' TYR . 32.9 t70 69.44 37.9 1.91 Allowed 'General case' 0 C--N 1.341 0.204 0 CA-C-N 113.979 -1.464 . . . . 15.0 108.736 -169.138 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -100.17 147.32 25.83 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.666 -0.697 . . . . 15.0 110.815 -176.689 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 35.1 t -119.01 110.57 17.26 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.962 -0.563 . . . . 15.0 109.731 175.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 14.8 t -137.63 150.06 47.1 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.216 -0.447 . . . . 15.0 110.016 -178.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 69.8 m95 -98.12 9.77 42.1 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.19 0.519 . . . . 15.0 110.118 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -101.12 121.18 41.35 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.194 -1.039 . . . . 15.0 108.194 -177.347 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 459' ' ' LYS . . . . . 0.52 ' HA ' ' HD2' ' A' ' 460' ' ' PRO . 28.8 mttm -58.42 120.53 45.22 Favored Pre-proline 0 N--CA 1.465 0.286 0 N-CA-C 113.321 0.859 . . . . 15.0 113.321 -173.822 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.858 ' HG2' ' HB3' ' A' ' 463' ' ' LEU . 19.5 Cg_endo -59.59 150.15 77.96 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 123.35 2.7 . . . . 15.0 111.328 171.182 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -61.93 -12.7 19.41 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.657 0.614 . . . . 15.0 112.657 -176.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -96.72 -21.68 17.43 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.773 0.321 . . . . 15.0 111.165 178.702 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.858 ' HB3' ' HG2' ' A' ' 460' ' ' PRO . 35.8 tp -120.22 21.96 11.55 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.146 0.498 . . . . 15.0 110.339 -174.588 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 464' ' ' LYS . . . . . 0.512 ' HA ' ' HD3' ' A' ' 459' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.934 0 CA-C-O 118.355 -0.831 . . . . 15.0 111.629 -176.669 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.775 0 N-CA-C 112.074 -0.41 . . . . 15.0 112.074 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -86.7 136.39 33.04 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 110.086 -0.338 . . . . 15.0 110.086 178.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 9.1 t -134.02 25.14 3.93 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 120.948 0.404 . . . . 15.0 110.727 -177.023 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 431' ' ' ALA . . . . . 0.449 ' O ' ' HB ' ' A' ' 432' ' ' VAL . . . -158.21 119.16 3.43 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 116.381 -0.372 . . . . 15.0 110.997 -178.005 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 432' ' ' VAL . . . . . 0.449 ' HB ' ' O ' ' A' ' 431' ' ' ALA . 86.9 t 83.66 139.35 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.449 0 CA-C-N 115.127 -0.942 . . . . 15.0 111.442 174.772 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 37.6 t 76.05 13.74 2.65 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 115.098 -0.955 . . . . 15.0 110.361 -179.6 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -90.15 -13.57 35.38 Favored 'General case' 0 C--N 1.309 -1.166 0 CA-C-N 114.407 -1.27 . . . . 15.0 109.912 177.619 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 86.9 m95 -99.41 139.62 34.8 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.076 -0.965 . . . . 15.0 109.786 178.234 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 2.7 m -128.88 144.48 51.19 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 109.93 -0.396 . . . . 15.0 109.93 177.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -103.93 118.7 37.3 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.603 -0.517 . . . . 15.0 109.603 -178.526 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 -114.19 140.64 48.37 Favored 'General case' 0 C--N 1.31 -1.143 0 CA-C-N 115.841 -0.618 . . . . 15.0 110.282 -179.172 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 0.844 ' HD2' ' N ' ' A' ' 444' ' ' LYS . 3.8 tppp? -101.5 133.08 46.7 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.873 0.368 . . . . 15.0 110.225 176.624 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 440' ' ' THR . . . . . 0.462 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 23.9 p -89.63 150.26 22.45 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.072 -0.513 . . . . 15.0 109.877 175.87 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -50.82 -28.28 9.08 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 113.256 0.836 . . . . 15.0 113.256 -175.253 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -82.43 3.8 26.69 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.699 0.285 . . . . 15.0 111.31 -176.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.21 65.09 1.22 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 121.187 -0.53 . . . . 15.0 112.925 174.036 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.844 ' N ' ' HD2' ' A' ' 439' ' ' LYS . 44.8 mttt -156.02 131.54 9.58 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 114.757 1.392 . . . . 15.0 114.757 -178.063 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 445' ' ' THR . . . . . 0.617 HG23 ' HE3' ' A' ' 439' ' ' LYS . 0.4 OUTLIER -97.4 144.09 27.49 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-O 120.683 0.278 . . . . 15.0 111.028 176.923 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 25.4 p90 -146.99 150.13 34.52 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.208 -0.664 . . . . 15.0 109.208 -179.63 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 74.8 m-85 -103.86 120.31 40.72 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.445 0.64 . . . . 15.0 111.235 -173.66 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 448' ' ' TYR . . . . . 0.46 ' CE1' ' HA ' ' A' ' 453' ' ' ASP . 48.0 t80 -112.61 123.78 51.07 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.046 -0.979 . . . . 15.0 110.321 -178.618 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.674 ' HB3' ' OG1' ' A' ' 452' ' ' THR . 23.7 t-20 -89.84 126.61 35.76 Favored 'General case' 0 CA--C 1.507 -0.691 0 N-CA-C 108.641 -0.874 . . . . 15.0 108.641 173.213 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 -71.99 -42.95 65.85 Favored 'General case' 0 C--N 1.314 -0.974 0 N-CA-C 112.491 0.552 . . . . 15.0 112.491 -173.533 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 49.0 mtm180 -90.49 -1.74 57.9 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 118.515 -1.274 . . . . 15.0 112.53 -173.332 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 452' ' ' THR . . . . . 0.674 ' OG1' ' HB3' ' A' ' 449' ' ' ASN . 44.1 p -91.82 -40.25 11.31 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.383 0.611 . . . . 15.0 109.687 159.761 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 453' ' ' ASP . . . . . 0.46 ' HA ' ' CE1' ' A' ' 448' ' ' TYR . 31.6 t70 72.74 34.4 1.18 Allowed 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 113.49 -1.686 . . . . 15.0 109.189 -168.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 454' ' ' GLU . . . . . 0.574 ' HG2' ' OG1' ' A' ' 452' ' ' THR . 9.9 pt-20 -111.06 136.73 49.65 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.944 -0.571 . . . . 15.0 110.742 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 14.1 p -106.84 127.37 53.35 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.917 -0.583 . . . . 15.0 110.334 178.168 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 14.4 t -135.2 150.06 50.04 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.063 0.459 . . . . 15.0 110.85 -178.715 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 75.0 m95 -89.75 -1.94 58.13 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.129 0.49 . . . . 15.0 110.205 177.423 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -84.39 141.25 30.99 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.437 -0.801 . . . . 15.0 109.234 173.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 459' ' ' LYS . . . . . 0.51 ' HE2' ' O ' ' A' ' 463' ' ' LEU . 75.0 tttt -85.87 120.28 72.57 Favored Pre-proline 0 C--N 1.318 -0.763 0 N-CA-C 110.0 -0.37 . . . . 15.0 110.0 -177.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.44 ' HD2' ' HA ' ' A' ' 459' ' ' LYS . 10.5 Cg_endo -54.07 141.55 68.34 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.927 2.418 . . . . 15.0 111.318 178.55 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 461' ' ' GLN . . . . . 0.533 ' HA ' ' HB2' ' A' ' 464' ' ' LYS . 76.0 mt-30 -68.45 -16.86 64.05 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.768 0.318 . . . . 15.0 111.366 -175.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 462' ' ' GLU . . . . . 0.503 ' OE2' ' HB2' ' A' ' 463' ' ' LEU . 0.1 OUTLIER -84.19 -16.2 44.25 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.249 -0.432 . . . . 15.0 111.088 179.639 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.51 ' O ' ' HE2' ' A' ' 459' ' ' LYS . 18.7 tp -120.04 0.33 10.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.007 -0.542 . . . . 15.0 110.386 177.654 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 464' ' ' LYS . . . . . 0.533 ' HB2' ' HA ' ' A' ' 461' ' ' GLN . 3.7 tttp . . . . . 0 C--O 1.244 0.801 0 CA-C-O 118.441 -0.79 . . . . 15.0 111.118 -175.461 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.535 0 N-CA-C 112.117 -0.393 . . . . 15.0 112.117 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -68.65 120.52 14.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.709 0.29 . . . . 15.0 110.411 177.02 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 9.3 t -140.83 134.27 29.89 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.196 -0.456 . . . . 15.0 110.86 -176.586 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 431' ' ' ALA . . . . . 0.494 ' HB2' ' H ' ' A' ' 437' ' ' GLU . . . 66.83 106.42 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 115.486 -0.779 . . . . 15.0 112.448 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 432' ' ' VAL . . . . . 0.867 HG22 HD13 ' A' ' 463' ' ' LEU . 35.7 m -140.5 124.37 17.71 Favored 'Isoleucine or valine' 0 C--O 1.235 0.331 0 CA-C-O 120.994 0.426 . . . . 15.0 110.524 177.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 8.0 t 65.23 -144.52 0.22 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.709 -0.678 . . . . 15.0 111.213 172.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 434' ' ' GLU . . . . . 0.455 ' O ' ' HA ' ' A' ' 449' ' ' ASN . 1.3 pm0 -56.4 -26.05 51.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.892 -0.594 . . . . 15.0 112.478 -177.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.446 ' CE3' ' HG3' ' A' ' 460' ' ' PRO . 93.8 m95 -95.78 102.11 13.87 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.371 0.605 . . . . 15.0 110.223 179.112 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 4.0 m -105.24 146.95 28.6 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.7 -0.682 . . . . 15.0 110.401 -177.223 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 437' ' ' GLU . . . . . 0.588 ' HG3' HD21 ' A' ' 463' ' ' LEU . 47.9 mt-10 -108.92 122.74 47.86 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.011 -0.541 . . . . 15.0 110.862 -179.375 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 438' ' ' TYR . . . . . 0.495 ' O ' ' HA ' ' A' ' 445' ' ' THR . 98.0 m-85 -117.62 135.26 54.1 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.409 -0.814 . . . . 15.0 109.026 176.347 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 0.677 ' HD3' ' C ' ' A' ' 444' ' ' LYS . 0.0 OUTLIER -89.71 128.1 36.05 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.321 0.582 . . . . 15.0 110.227 -176.263 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 19.7 p -89.84 150.45 22.23 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.263 -0.881 . . . . 15.0 109.428 177.542 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -51.66 -18.33 1.15 Allowed 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 113.483 0.92 . . . . 15.0 113.483 -175.667 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -84.12 5.28 26.73 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-O 121.188 0.518 . . . . 15.0 110.826 177.777 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 443' ' ' GLY . . . . . 0.513 ' O ' ' HG3' ' A' ' 444' ' ' LYS . . . 90.36 37.08 6.74 Favored Glycine 0 N--CA 1.452 -0.267 0 N-CA-C 115.97 1.148 . . . . 15.0 115.97 164.757 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.677 ' C ' ' HD3' ' A' ' 439' ' ' LYS . 2.5 mptt -153.39 166.97 30.96 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 117.522 0.661 . . . . 15.0 111.424 169.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 445' ' ' THR . . . . . 0.495 ' HA ' ' O ' ' A' ' 438' ' ' TYR . 15.2 p -95.26 139.09 32.07 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.792 -0.64 . . . . 15.0 111.343 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 446' ' ' TYR . . . . . 0.466 ' CE1' ' HB2' ' A' ' 438' ' ' TYR . 31.8 p90 -106.4 142.38 36.16 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.803 -0.814 . . . . 15.0 108.803 173.46 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 447' ' ' TYR . . . . . 0.458 ' CZ ' ' HG3' ' A' ' 459' ' ' LYS . 38.4 m-85 -91.97 116.92 29.33 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 121.245 0.545 . . . . 15.0 110.802 -169.596 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 448' ' ' TYR . . . . . 0.522 ' HD1' ' HB3' ' A' ' 455' ' ' SER . 31.8 t80 -124.85 121.8 35.57 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.394 -0.821 . . . . 15.0 110.631 -172.348 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.625 ' HB3' ' OG1' ' A' ' 452' ' ' THR . 41.5 t-20 -93.15 123.62 36.54 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 108.128 -1.064 . . . . 15.0 108.128 173.294 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 54.2 m-80 -74.36 -42.36 59.47 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 112.695 0.628 . . . . 15.0 112.695 -171.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 39.8 mtm-85 -90.24 -1.71 57.96 Favored 'General case' 0 C--N 1.333 -0.114 0 C-N-CA 118.073 -1.451 . . . . 15.0 112.24 -174.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 452' ' ' THR . . . . . 0.625 ' OG1' ' HB3' ' A' ' 449' ' ' ASN . 76.2 p -91.63 -37.43 13.07 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.282 0.563 . . . . 15.0 109.484 159.423 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 453' ' ' ASP . . . . . . . . . . . . . 19.2 t70 78.09 24.65 0.67 Allowed 'General case' 0 C--N 1.343 0.301 0 CA-C-N 113.653 -1.612 . . . . 15.0 109.843 -175.01 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -97.73 147.51 24.29 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 121.019 0.437 . . . . 15.0 110.91 -176.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 455' ' ' SER . . . . . 0.522 ' HB3' ' HD1' ' A' ' 448' ' ' TYR . 9.1 p -123.16 123.05 39.93 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.873 -0.603 . . . . 15.0 110.282 178.83 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 9.7 t -135.74 150.18 49.43 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.196 -0.456 . . . . 15.0 110.261 -178.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 91.2 m95 -95.99 1.75 52.95 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.379 0.609 . . . . 15.0 109.793 176.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -93.56 120.47 33.87 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.152 -0.931 . . . . 15.0 109.485 177.673 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 459' ' ' LYS . . . . . 0.458 ' HG3' ' CZ ' ' A' ' 447' ' ' TYR . 19.2 tttm -68.02 113.33 14.26 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.566 -0.288 . . . . 15.0 111.062 -173.173 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 1.055 ' HG2' ' HB3' ' A' ' 463' ' ' LEU . 1.5 Cg_endo -50.0 149.98 10.75 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 124.039 3.159 . . . . 15.0 113.309 178.679 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -60.57 -31.17 70.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 15.0 111.354 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -81.85 -18.03 45.3 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.125 -0.489 . . . . 15.0 111.21 179.222 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 1.055 ' HB3' ' HG2' ' A' ' 460' ' ' PRO . 48.4 tp -120.12 28.74 7.89 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.982 -0.553 . . . . 15.0 110.073 -176.04 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 24.3 mmtm . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.282 -0.866 . . . . 15.0 110.695 177.487 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.74 0 N-CA-C 111.894 -0.482 . . . . 15.0 111.894 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -68.1 130.86 44.22 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.815 0.341 . . . . 15.0 110.735 178.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 9.7 t -96.49 151.08 19.92 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.004 -0.544 . . . . 15.0 110.398 -178.808 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . 58.91 70.09 0.68 Allowed 'General case' 0 N--CA 1.465 0.321 0 O-C-N 123.673 0.608 . . . . 15.0 111.261 -179.036 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 67.5 t -139.92 127.77 25.31 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.416 0 CA-C-N 115.959 -0.564 . . . . 15.0 109.746 -176.646 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 46.4 m 77.22 20.54 1.17 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.229 -0.896 . . . . 15.0 111.352 174.313 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -90.11 -4.58 57.23 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.324 -0.853 . . . . 15.0 109.731 173.752 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 58.8 m95 -102.27 118.62 37.26 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.276 -0.875 . . . . 15.0 109.762 176.37 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 10.3 m -101.02 148.4 25.09 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.935 -0.394 . . . . 15.0 109.935 179.446 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 437' ' ' GLU . . . . . 0.466 ' HB3' HG21 ' A' ' 445' ' ' THR . 44.2 mt-10 -102.22 128.22 48.84 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.209 0.528 . . . . 15.0 111.094 -179.531 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 438' ' ' TYR . . . . . 0.461 ' O ' ' HA ' ' A' ' 445' ' ' THR . 85.7 m-85 -123.6 125.37 44.72 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.616 -0.72 . . . . 15.0 109.304 173.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 0.811 ' HD3' ' C ' ' A' ' 444' ' ' LYS . 4.0 tppp? -89.91 131.95 35.56 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.154 0.502 . . . . 15.0 110.867 -175.615 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 20.3 p -89.9 150.56 22.14 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.327 -0.851 . . . . 15.0 109.734 176.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -46.03 -31.67 2.41 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 113.191 0.811 . . . . 15.0 113.191 -177.282 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -77.82 3.5 14.16 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 121.026 0.441 . . . . 15.0 111.219 -178.525 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.23 41.44 5.52 Favored Glycine 0 CA--C 1.519 0.33 0 N-CA-C 115.521 0.968 . . . . 15.0 115.521 166.079 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.811 ' C ' ' HD3' ' A' ' 439' ' ' LYS . 8.0 mptt -150.36 155.93 40.55 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 117.839 0.819 . . . . 15.0 112.048 170.625 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 445' ' ' THR . . . . . 0.628 HG23 ' HE3' ' A' ' 439' ' ' LYS . 6.6 p -94.47 137.66 33.34 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-O 121.268 0.556 . . . . 15.0 111.409 179.317 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 55.2 p90 -102.34 137.61 40.36 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 107.891 -1.152 . . . . 15.0 107.891 171.071 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 63.8 m-85 -89.84 113.09 24.62 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 121.639 0.733 . . . . 15.0 110.882 -171.073 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 448' ' ' TYR . . . . . 0.495 ' HA ' ' O ' ' A' ' 454' ' ' GLU . 52.3 t80 -108.49 123.97 49.71 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 114.666 -1.152 . . . . 15.0 110.687 -176.624 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.539 ' HB3' ' HG2' ' A' ' 454' ' ' GLU . 24.5 t-20 -89.79 132.12 35.39 Favored 'General case' 0 CA--C 1.507 -0.684 0 N-CA-C 108.773 -0.825 . . . . 15.0 108.773 174.625 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 41.8 m-80 -75.76 -50.14 16.12 Favored 'General case' 0 C--N 1.313 -0.998 0 N-CA-C 112.874 0.694 . . . . 15.0 112.874 -172.641 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 60.5 mtm180 -90.26 -1.66 57.95 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 118.56 -1.256 . . . . 15.0 112.721 -170.111 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 452' ' ' THR . . . . . 0.439 ' OG1' ' HB3' ' A' ' 449' ' ' ASN . 46.1 p -91.59 -38.62 12.36 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.491 0.663 . . . . 15.0 110.169 158.204 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 453' ' ' ASP . . . . . . . . . . . . . 21.6 t70 66.91 75.04 0.32 Allowed 'General case' 0 N--CA 1.462 0.15 0 CA-C-N 113.822 -1.535 . . . . 15.0 109.622 -166.529 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 454' ' ' GLU . . . . . 0.539 ' HG2' ' HB3' ' A' ' 449' ' ' ASN . 14.4 pt-20 -144.57 150.15 37.01 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.323 -0.853 . . . . 15.0 109.855 -178.811 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 47.0 m -123.4 120.13 32.07 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.963 0.411 . . . . 15.0 111.009 179.184 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 15.4 t -128.48 149.96 50.36 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.177 -0.465 . . . . 15.0 109.952 179.265 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 91.8 m95 -96.14 6.05 49.69 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.863 0.363 . . . . 15.0 110.438 179.488 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -96.38 141.74 29.34 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.136 -0.69 . . . . 15.0 109.136 175.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 459' ' ' LYS . . . . . 0.47 ' HA ' ' HD2' ' A' ' 460' ' ' PRO . 49.2 tttp -83.28 118.74 72.51 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 116.524 -0.307 . . . . 15.0 111.577 -172.003 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.47 ' HD2' ' HA ' ' A' ' 459' ' ' LYS . 15.0 Cg_endo -59.62 143.59 99.62 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 123.09 2.527 . . . . 15.0 112.022 177.561 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 461' ' ' GLN . . . . . 0.413 ' HA ' ' HB2' ' A' ' 464' ' ' LYS . 2.0 mp0 -63.19 -30.71 71.81 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.773 -0.649 . . . . 15.0 111.127 -177.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 462' ' ' GLU . . . . . 0.521 ' OE2' ' HB2' ' A' ' 463' ' ' LEU . 0.0 OUTLIER -70.3 -14.13 62.46 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.663 -0.698 . . . . 15.0 111.756 -179.668 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.521 ' HB2' ' OE2' ' A' ' 462' ' ' GLU . 18.6 tp -120.18 9.32 11.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.004 0.43 . . . . 15.0 110.164 178.353 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 464' ' ' LYS . . . . . 0.413 ' HB2' ' HA ' ' A' ' 461' ' ' GLN . 1.8 ttpm? . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.246 -0.883 . . . . 15.0 110.981 -174.546 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.407 0 N-CA-C 111.585 -0.606 . . . . 15.0 111.585 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -94.98 95.64 8.75 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.811 0.339 . . . . 15.0 110.424 -178.364 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -96.17 99.68 11.39 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.066 0.46 . . . . 15.0 111.321 -179.098 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -133.79 89.96 2.65 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.933 -0.576 . . . . 15.0 110.282 177.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 14.9 p 179.9 143.79 0.1 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.337 0 N-CA-C 109.359 -0.608 . . . . 15.0 109.359 -178.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 49.8 m 66.59 23.71 10.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.378 0.609 . . . . 15.0 110.695 177.525 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 434' ' ' GLU . . . . . 0.41 ' HG2' ' H ' ' A' ' 434' ' ' GLU . 5.5 pt-20 -85.1 1.89 45.86 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.452 -0.795 . . . . 15.0 110.808 177.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 70.6 m95 -99.91 119.14 37.76 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.695 -0.684 . . . . 15.0 110.536 179.752 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 3.3 m -114.97 146.13 41.53 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.221 -0.659 . . . . 15.0 109.221 178.576 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -121.54 150.33 41.79 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.408 0.623 . . . . 15.0 110.711 -177.006 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 438' ' ' TYR . . . . . 0.443 ' O ' ' HA ' ' A' ' 445' ' ' THR . 84.4 m-85 -135.22 137.72 42.9 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 114.78 -1.1 . . . . 15.0 109.152 -178.771 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 0.81 ' HB2' ' HZ3' ' A' ' 439' ' ' LYS . 0.0 OUTLIER -89.98 127.02 35.95 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.216 0.531 . . . . 15.0 109.978 -179.599 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 16.8 p -89.62 150.63 22.29 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.111 -0.95 . . . . 15.0 110.119 -178.207 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -49.41 -20.53 0.71 Allowed 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 113.872 1.064 . . . . 15.0 113.872 -175.104 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -79.62 -0.83 35.4 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 121.139 0.495 . . . . 15.0 110.412 177.687 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 443' ' ' GLY . . . . . 0.527 ' C ' ' HD2' ' A' ' 439' ' ' LYS . . . 90.1 38.81 6.27 Favored Glycine 0 N--CA 1.447 -0.567 0 CA-C-N 115.64 -0.709 . . . . 15.0 114.417 171.353 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.697 ' C ' ' HD3' ' A' ' 439' ' ' LYS . 35.9 mttp -148.53 158.03 43.86 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 117.599 0.699 . . . . 15.0 112.728 174.448 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 445' ' ' THR . . . . . 0.558 HG23 ' HZ3' ' A' ' 439' ' ' LYS . 1.0 OUTLIER -97.95 141.4 30.97 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.156 -0.474 . . . . 15.0 111.929 179.14 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 31.3 p90 -117.88 149.99 39.94 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 108.685 -0.857 . . . . 15.0 108.685 172.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -103.16 129.72 50.13 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 122.102 0.953 . . . . 15.0 111.704 -172.527 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 448' ' ' TYR . . . . . 0.526 ' HD2' ' HB3' ' A' ' 455' ' ' SER . 39.9 t80 -123.25 121.17 35.22 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 114.227 -1.351 . . . . 15.0 109.874 -173.628 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.489 ' HB3' ' HG2' ' A' ' 454' ' ' GLU . 24.8 t-20 -90.35 132.66 35.46 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 108.959 -0.756 . . . . 15.0 108.959 175.558 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 39.5 m-80 -76.89 -48.72 17.47 Favored 'General case' 0 C--N 1.313 -1.02 0 N-CA-C 113.027 0.751 . . . . 15.0 113.027 -173.448 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 58.3 mtm180 -90.01 -1.74 58.01 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 118.349 -1.34 . . . . 15.0 112.853 -171.203 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 452' ' ' THR . . . . . 0.476 ' OG1' ' HG2' ' A' ' 454' ' ' GLU . 76.8 p -91.36 -35.89 14.15 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.42 -0.585 . . . . 15.0 109.42 157.849 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 453' ' ' ASP . . . . . . . . . . . . . 26.0 t70 76.74 27.29 0.77 Allowed 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 113.664 -1.607 . . . . 15.0 109.508 -175.366 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 454' ' ' GLU . . . . . 0.489 ' HG2' ' HB3' ' A' ' 449' ' ' ASN . 14.4 pt-20 -97.55 137.8 35.93 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 116.022 -0.535 . . . . 15.0 111.184 -176.629 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 455' ' ' SER . . . . . 0.526 ' HB3' ' HD2' ' A' ' 448' ' ' TYR . 12.2 p -110.18 121.94 46.45 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.172 -0.467 . . . . 15.0 110.375 173.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 9.9 t -137.68 150.11 47.08 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.892 0.377 . . . . 15.0 110.386 -178.408 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 81.4 m95 -90.95 7.14 41.69 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.005 0.431 . . . . 15.0 110.691 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -92.73 142.66 27.1 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.06 -0.518 . . . . 15.0 109.905 175.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 459' ' ' LYS . . . . . 0.597 ' HE2' ' O ' ' A' ' 463' ' ' LEU . 75.9 tttt -84.51 125.0 72.74 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 116.292 -0.413 . . . . 15.0 110.35 -177.136 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.585 ' HG2' ' HB3' ' A' ' 463' ' ' LEU . 17.1 Cg_endo -57.98 140.15 92.93 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 123.208 2.605 . . . . 15.0 112.561 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -66.29 -9.97 37.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.76 -0.655 . . . . 15.0 112.23 -177.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -88.69 -20.32 25.01 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.129 -0.487 . . . . 15.0 110.587 177.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.597 ' O ' ' HE2' ' A' ' 459' ' ' LYS . 19.2 tp -120.02 18.33 12.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.056 -0.52 . . . . 15.0 110.902 -169.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 25.8 mtmm . . . . . 0 C--O 1.248 0.988 0 CA-C-O 118.161 -0.923 . . . . 15.0 110.388 179.697 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.739 0 N-CA-C 112.138 -0.385 . . . . 15.0 112.138 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -107.18 145.59 32.4 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 110.259 -0.275 . . . . 15.0 110.259 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 430' ' ' THR . . . . . 0.592 ' HA ' HD12 ' A' ' 463' ' ' LEU . 2.6 m -124.18 33.17 5.34 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-O 120.586 0.231 . . . . 15.0 111.588 -174.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . 71.77 128.74 0.03 OUTLIER 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.868 0.842 . . . . 15.0 111.474 177.125 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 15.3 m -83.72 56.12 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.929 0 CA-C-N 115.001 -1.0 . . . . 15.0 111.721 -177.794 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 10.0 t 65.3 17.17 10.9 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.028 -0.987 . . . . 15.0 110.978 178.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 434' ' ' GLU . . . . . 0.579 ' HB3' ' ND2' ' A' ' 449' ' ' ASN . 21.2 mm-40 -90.0 -74.0 0.5 Allowed 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 114.868 -1.06 . . . . 15.0 110.878 178.831 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.479 ' CD2' ' HB2' ' A' ' 449' ' ' ASN . 55.6 m95 -90.65 123.2 34.08 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.614 -0.721 . . . . 15.0 110.456 -176.832 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 2.7 m -113.69 146.47 39.77 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.001 -0.545 . . . . 15.0 109.694 177.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -90.0 113.94 25.7 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.339 0.59 . . . . 15.0 110.135 -178.456 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 80.0 m-85 -110.64 148.02 33.09 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 114.948 -1.024 . . . . 15.0 108.946 175.569 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 0.824 ' HD2' ' N ' ' A' ' 444' ' ' LYS . 0.1 OUTLIER -103.92 138.93 39.79 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.24 0.543 . . . . 15.0 111.044 -176.818 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 440' ' ' THR . . . . . 0.517 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 29.5 p -89.75 150.43 22.29 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.329 -0.85 . . . . 15.0 109.318 173.144 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -54.13 -23.47 14.23 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 112.791 0.664 . . . . 15.0 112.791 -175.315 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -80.99 -0.8 41.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.765 0.316 . . . . 15.0 111.307 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 88.78 55.79 2.09 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 121.089 -0.577 . . . . 15.0 112.658 175.509 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.824 ' N ' ' HD2' ' A' ' 439' ' ' LYS . 14.5 mmtp -140.52 142.68 35.21 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 116.7 2.111 . . . . 15.0 116.7 -178.263 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 20.9 p -89.59 139.69 30.3 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 114.981 -1.008 . . . . 15.0 110.711 179.057 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 45.7 p90 -149.96 145.14 26.3 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.317 -0.623 . . . . 15.0 109.317 173.302 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 447' ' ' TYR . . . . . 0.422 ' HB3' ' HB3' ' A' ' 435' ' ' TRP . 66.4 m-85 -98.69 114.54 27.09 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-O 121.387 0.613 . . . . 15.0 110.628 -173.197 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 448' ' ' TYR . . . . . 0.495 ' HD2' ' HB3' ' A' ' 455' ' ' SER . 44.0 t80 -106.09 119.48 39.33 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 114.999 -1.0 . . . . 15.0 110.055 -175.237 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.579 ' ND2' ' HB3' ' A' ' 434' ' ' GLU . 21.5 t-20 -89.72 134.61 34.08 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 108.728 -0.841 . . . . 15.0 108.728 176.252 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 42.9 m-80 -76.89 -52.94 8.55 Favored 'General case' 0 C--N 1.315 -0.925 0 N-CA-C 113.1 0.778 . . . . 15.0 113.1 -171.708 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -90.14 -1.86 58.0 Favored 'General case' 0 CA--C 1.515 -0.392 0 C-N-CA 118.169 -1.413 . . . . 15.0 112.487 -171.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 452' ' ' THR . . . . . 0.55 ' OG1' ' HB3' ' A' ' 449' ' ' ASN . 26.3 p -91.82 -32.19 15.44 Favored 'General case' 0 C--N 1.308 -1.224 0 CA-C-O 121.58 0.705 . . . . 15.0 109.436 161.015 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 453' ' ' ASP . . . . . . . . . . . . . 29.3 t70 69.9 31.64 3.36 Favored 'General case' 0 C--N 1.343 0.319 0 CA-C-N 113.656 -1.611 . . . . 15.0 110.391 178.176 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 454' ' ' GLU . . . . . 0.545 ' HG2' ' OG1' ' A' ' 452' ' ' THR . 14.7 pt-20 -122.01 148.88 44.27 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.667 -0.697 . . . . 15.0 110.475 -177.76 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 455' ' ' SER . . . . . 0.495 ' HB3' ' HD2' ' A' ' 448' ' ' TYR . 5.9 p -117.22 130.58 56.67 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.273 -0.421 . . . . 15.0 111.037 -178.306 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 8.9 t -119.72 150.05 41.01 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.104 -0.498 . . . . 15.0 110.479 179.194 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 83.0 m95 -96.44 2.17 52.32 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.158 -0.474 . . . . 15.0 110.092 178.207 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -109.07 151.71 26.03 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.88 -0.6 . . . . 15.0 109.596 -179.228 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 9.8 mtpm? -72.62 118.7 70.14 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-O 121.159 0.504 . . . . 15.0 111.415 -177.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.595 ' HG2' ' HB2' ' A' ' 463' ' ' LEU . 11.2 Cg_endo -57.65 150.34 62.08 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 123.702 2.935 . . . . 15.0 112.396 177.458 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 461' ' ' GLN . . . . . 0.4 ' O ' ' HG2' ' A' ' 464' ' ' LYS . 4.9 pm0 -56.33 -25.23 48.26 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.026 -0.534 . . . . 15.0 112.068 -179.805 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 462' ' ' GLU . . . . . 0.411 ' OE2' ' HB2' ' A' ' 434' ' ' GLU . 11.7 pt-20 -89.88 7.32 37.83 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 116.114 -0.494 . . . . 15.0 111.655 179.585 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.595 ' HB2' ' HG2' ' A' ' 460' ' ' PRO . 31.1 tp -116.96 9.04 13.62 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.161 0.505 . . . . 15.0 110.622 179.617 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 464' ' ' LYS . . . . . 0.4 ' HG2' ' O ' ' A' ' 461' ' ' GLN . 21.7 pttp . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.276 -0.869 . . . . 15.0 109.961 176.025 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.717 0 N-CA-C 112.162 -0.375 . . . . 15.0 112.162 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -130.18 130.09 44.26 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 110.128 -0.323 . . . . 15.0 110.128 178.263 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 44.4 m 77.18 -44.77 0.46 Allowed 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 121.917 0.865 . . . . 15.0 111.686 179.287 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -96.58 82.54 3.35 Favored 'General case' 0 C--N 1.297 -1.713 0 CA-C-N 114.38 -1.282 . . . . 15.0 110.187 178.235 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 14.8 p -167.65 140.59 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.7 0 N-CA-C 109.078 -0.712 . . . . 15.0 109.078 -178.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 8.6 t 69.47 17.65 7.99 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 121.912 0.863 . . . . 15.0 109.825 -177.721 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 434' ' ' GLU . . . . . 0.55 ' HB3' ' ND2' ' A' ' 449' ' ' ASN . 6.2 mm-40 -69.79 -19.35 63.5 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.271 -1.332 . . . . 15.0 110.772 178.337 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.521 ' HA ' ' O ' ' A' ' 448' ' ' TYR . 71.5 m95 -112.29 119.93 39.98 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.442 -0.799 . . . . 15.0 110.633 -174.879 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 2.4 m -99.16 145.01 27.64 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.017 -0.538 . . . . 15.0 109.592 176.461 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -104.31 123.74 47.92 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.278 0.561 . . . . 15.0 110.602 -176.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 438' ' ' TYR . . . . . 0.561 ' O ' ' HA ' ' A' ' 445' ' ' THR . 93.4 m-85 -123.42 140.37 53.08 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.397 -0.819 . . . . 15.0 110.285 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 0.81 ' HD3' ' C ' ' A' ' 444' ' ' LYS . 11.2 tppt? -95.17 132.91 39.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.2 0.524 . . . . 15.0 109.926 175.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 9.8 p -89.64 151.0 22.12 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.36 -0.836 . . . . 15.0 110.365 -179.154 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -50.76 -20.97 1.42 Allowed 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 113.11 0.782 . . . . 15.0 113.11 -178.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -77.64 -5.03 48.96 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 121.027 0.441 . . . . 15.0 111.001 175.717 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 443' ' ' GLY . . . . . 0.447 ' C ' ' HD2' ' A' ' 439' ' ' LYS . . . 90.15 39.39 6.08 Favored Glycine 0 N--CA 1.447 -0.583 0 CA-C-N 115.628 -0.714 . . . . 15.0 114.153 173.682 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.81 ' C ' ' HD3' ' A' ' 439' ' ' LYS . 48.0 mtpt -145.16 153.54 41.48 Favored 'General case' 0 C--O 1.221 -0.42 0 N-CA-C 113.346 0.869 . . . . 15.0 113.346 175.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 445' ' ' THR . . . . . 0.561 ' HA ' ' O ' ' A' ' 438' ' ' TYR . 0.1 OUTLIER -99.41 150.11 22.49 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.833 -0.621 . . . . 15.0 112.239 -176.6 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 47.2 p90 -142.57 150.06 39.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.528 -0.76 . . . . 15.0 109.336 -177.781 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -98.11 126.49 43.58 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.404 0.621 . . . . 15.0 111.089 -175.155 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 448' ' ' TYR . . . . . 0.521 ' O ' ' HA ' ' A' ' 435' ' ' TRP . 43.0 t80 -116.65 120.12 37.64 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 115.355 -0.839 . . . . 15.0 110.315 -174.129 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.55 ' ND2' ' HB3' ' A' ' 434' ' ' GLU . 23.1 t-20 -89.77 134.36 34.22 Favored 'General case' 0 CA--C 1.507 -0.691 0 N-CA-C 108.693 -0.854 . . . . 15.0 108.693 177.726 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 41.6 m-80 -83.54 -50.18 8.5 Favored 'General case' 0 C--N 1.312 -1.03 0 N-CA-C 113.259 0.837 . . . . 15.0 113.259 -170.376 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 46.0 mtm180 -90.06 -1.76 58.01 Favored 'General case' 0 N--CA 1.462 0.173 0 C-N-CA 118.419 -1.312 . . . . 15.0 112.728 -173.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 71.2 p -91.4 -36.65 13.68 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.553 0.692 . . . . 15.0 109.54 160.069 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 453' ' ' ASP . . . . . . . . . . . . . 26.5 t70 67.51 71.38 0.35 Allowed 'General case' 0 C--O 1.231 0.125 0 CA-C-N 113.611 -1.631 . . . . 15.0 109.752 -173.047 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -150.2 150.24 31.31 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.236 -0.893 . . . . 15.0 111.001 -178.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 10.2 p -112.35 129.38 56.32 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.106 -0.497 . . . . 15.0 111.145 179.477 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 21.7 m -132.59 139.51 47.83 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.094 -0.503 . . . . 15.0 110.084 -178.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 91.3 m95 -89.01 -25.67 21.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.722 0.296 . . . . 15.0 111.497 -178.761 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -75.55 137.07 40.59 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.179 -0.464 . . . . 15.0 109.907 174.738 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 459' ' ' LYS . . . . . 1.056 ' HB3' ' HE3' ' A' ' 464' ' ' LYS . 32.9 tttm -67.2 114.2 17.42 Favored Pre-proline 0 C--N 1.326 -0.417 0 N-CA-C 109.792 -0.448 . . . . 15.0 109.792 -179.498 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.738 ' HG2' ' HB3' ' A' ' 463' ' ' LEU . 10.1 Cg_endo -53.63 146.32 44.29 Favored 'Trans proline' 0 N--CA 1.476 0.446 0 C-N-CA 123.969 3.112 . . . . 15.0 112.901 -176.503 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 87.2 mm-40 -63.67 -22.85 67.12 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 111.851 0.315 . . . . 15.0 111.851 -178.114 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 2.5 pm0 -82.15 -15.48 53.15 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.711 0.291 . . . . 15.0 111.251 177.586 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.738 ' HB3' ' HG2' ' A' ' 460' ' ' PRO . 29.6 tp -120.27 3.45 10.85 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.843 0.354 . . . . 15.0 110.51 -178.581 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 464' ' ' LYS . . . . . 1.056 ' HE3' ' HB3' ' A' ' 459' ' ' LYS . 8.3 mmtp . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.256 -0.878 . . . . 15.0 110.577 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.768 0 N-CA-C 112.07 -0.412 . . . . 15.0 112.07 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -55.45 139.05 44.79 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-O 120.717 0.294 . . . . 15.0 111.476 -179.528 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 30.7 m 62.49 86.85 0.11 Allowed 'General case' 0 N--CA 1.455 -0.198 0 CA-C-N 115.592 -0.731 . . . . 15.0 110.994 -177.29 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -84.36 69.91 10.56 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.431 0.634 . . . . 15.0 110.029 177.379 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 75.6 t -148.42 136.08 14.13 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.586 0 CA-C-N 115.125 -0.943 . . . . 15.0 108.578 -176.333 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 91.7 p 63.98 22.11 12.84 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 124.674 1.19 . . . . 15.0 111.098 178.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -89.26 -11.23 44.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.889 -0.596 . . . . 15.0 110.459 177.47 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.47 ' CZ3' HG22 ' A' ' 456' ' ' THR . 86.6 m95 -102.59 124.57 48.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.083 -0.508 . . . . 15.0 110.841 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 2.8 m -111.43 144.01 41.32 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.895 -0.409 . . . . 15.0 109.895 176.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 437' ' ' GLU . . . . . 0.436 ' HG2' HG22 ' A' ' 445' ' ' THR . 31.3 tt0 -99.98 122.55 43.05 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.267 0.556 . . . . 15.0 110.221 -176.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 90.4 m-85 -124.33 150.23 45.7 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.324 -0.853 . . . . 15.0 109.662 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 0.856 ' HD2' ' N ' ' A' ' 444' ' ' LYS . 13.6 tppt? -104.16 138.34 40.79 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.994 0.426 . . . . 15.0 111.054 179.325 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 440' ' ' THR . . . . . 0.508 HG23 ' CE1' ' A' ' 446' ' ' TYR . 6.1 p -89.81 150.29 22.31 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.774 -0.648 . . . . 15.0 109.663 172.443 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -64.08 1.87 0.63 Allowed 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 113.314 0.857 . . . . 15.0 113.314 -174.452 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -100.52 2.28 41.82 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.797 0.332 . . . . 15.0 110.455 178.106 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.05 54.91 2.07 Favored Glycine 0 C--N 1.332 0.321 0 C-N-CA 121.243 -0.503 . . . . 15.0 112.62 178.13 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.856 ' N ' ' HD2' ' A' ' 439' ' ' LYS . 33.0 mttp -150.11 132.59 15.68 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 115.004 1.483 . . . . 15.0 115.004 -177.451 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 445' ' ' THR . . . . . 0.436 HG22 ' HG2' ' A' ' 437' ' ' GLU . 0.0 OUTLIER -93.74 148.77 21.81 Favored 'General case' 0 C--N 1.315 -0.896 0 C-N-CA 121.153 -0.219 . . . . 15.0 110.632 177.506 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 446' ' ' TYR . . . . . 0.508 ' CE1' HG23 ' A' ' 440' ' ' THR . 54.4 p90 -149.95 150.06 31.3 Favored 'General case' 0 CA--C 1.515 -0.397 0 N-CA-C 109.612 -0.514 . . . . 15.0 109.612 -176.291 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -104.98 120.34 41.22 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.474 0.654 . . . . 15.0 111.102 -171.782 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 448' ' ' TYR . . . . . 0.574 ' CD2' ' HB3' ' A' ' 455' ' ' SER . 35.2 t80 -113.39 119.62 38.26 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 114.648 -1.16 . . . . 15.0 109.767 -176.502 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.608 ' HB3' ' OG1' ' A' ' 452' ' ' THR . 46.2 t-20 -90.13 126.97 35.98 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.978 -0.749 . . . . 15.0 108.978 177.634 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 45.6 m-80 -80.47 -41.2 24.79 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.49 -0.777 . . . . 15.0 112.623 -171.474 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 80.9 mtm180 -90.28 -1.49 57.93 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 118.666 -1.214 . . . . 15.0 111.793 -174.419 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 452' ' ' THR . . . . . 0.608 ' OG1' ' HB3' ' A' ' 449' ' ' ASN . 42.5 p -91.55 -47.65 7.29 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.717 0.77 . . . . 15.0 109.357 160.07 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 453' ' ' ASP . . . . . . . . . . . . . 30.1 t70 81.93 36.18 0.07 Allowed 'General case' 0 C--N 1.342 0.247 0 CA-C-N 112.779 -2.009 . . . . 15.0 109.71 -172.264 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 454' ' ' GLU . . . . . 0.492 ' HG3' ' HB ' ' A' ' 452' ' ' THR . 1.1 pp20? -128.73 145.49 51.16 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.234 0.54 . . . . 15.0 111.045 175.845 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 455' ' ' SER . . . . . 0.574 ' HB3' ' CD2' ' A' ' 448' ' ' TYR . 13.0 p -116.76 135.1 54.03 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.474 -0.785 . . . . 15.0 110.949 -177.435 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 456' ' ' THR . . . . . 0.47 HG22 ' CZ3' ' A' ' 435' ' ' TRP . 14.4 t -133.01 150.05 52.18 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.925 -0.579 . . . . 15.0 109.719 177.211 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.588 ' HZ3' ' HB3' ' A' ' 444' ' ' LYS . 74.2 m95 -86.19 -3.28 58.93 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.122 0.487 . . . . 15.0 110.25 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -83.2 136.07 34.55 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.628 -0.715 . . . . 15.0 109.615 176.338 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 459' ' ' LYS . . . . . 0.521 ' HE2' ' O ' ' A' ' 463' ' ' LEU . 70.7 tttt -77.33 123.44 86.97 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 116.49 -0.323 . . . . 15.0 110.795 -175.623 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -69.18 149.16 70.24 Favored 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 122.818 2.345 . . . . 15.0 112.257 -179.174 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -57.81 -27.86 63.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.744 -0.662 . . . . 15.0 112.055 -175.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -72.4 -22.15 61.16 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.05 0.389 . . . . 15.0 112.05 -176.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.521 ' O ' ' HE2' ' A' ' 459' ' ' LYS . 6.3 tp -120.23 3.28 10.88 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.675 -0.41 . . . . 15.0 111.005 -172.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 64.2 tttm . . . . . 0 C--O 1.253 1.27 0 CA-C-O 118.378 -0.82 . . . . 15.0 111.853 -174.177 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.581 0 N-CA-C 111.487 -0.645 . . . . 15.0 111.487 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . 71.58 148.37 0.08 Allowed 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 121.608 0.718 . . . . 15.0 112.378 178.041 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 28.1 m -115.79 112.5 22.09 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.578 -0.737 . . . . 15.0 110.422 177.389 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . 68.01 113.97 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.318 0 O-C-N 124.116 0.885 . . . . 15.0 112.316 177.442 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 21.0 m -112.75 38.43 0.57 Allowed 'Isoleucine or valine' 0 CA--C 1.51 -0.563 0 CA-C-O 122.778 1.275 . . . . 15.0 110.294 178.702 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 4.9 t 49.04 24.89 0.97 Allowed 'General case' 0 C--N 1.311 -1.107 0 CA-C-N 112.094 -2.321 . . . . 15.0 112.41 179.144 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 434' ' ' GLU . . . . . 0.512 ' HG3' ' ND2' ' A' ' 449' ' ' ASN . 15.6 tp10 -87.11 -22.05 25.62 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.351 0.596 . . . . 15.0 110.446 -176.318 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 84.9 m95 -108.65 135.67 49.5 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.351 -0.841 . . . . 15.0 110.249 177.271 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 3.1 m -126.18 144.73 50.65 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.499 -0.556 . . . . 15.0 109.499 173.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 437' ' ' GLU . . . . . 0.531 ' HB3' ' CD1' ' A' ' 447' ' ' TYR . 0.2 OUTLIER -110.96 131.12 55.31 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.533 0.683 . . . . 15.0 111.103 -176.515 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -126.96 141.84 51.7 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.429 -0.805 . . . . 15.0 109.483 178.46 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 0.817 ' HD3' ' C ' ' A' ' 444' ' ' LYS . 10.6 tppt? -93.75 143.34 26.41 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.382 0.61 . . . . 15.0 110.413 -177.739 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 25.0 p -89.62 150.71 22.26 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.108 -0.951 . . . . 15.0 109.872 178.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -49.91 -25.14 2.95 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 112.966 0.728 . . . . 15.0 112.966 -179.629 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -80.55 -6.12 57.76 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 120.902 0.382 . . . . 15.0 110.758 178.479 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.32 51.47 2.74 Favored Glycine 0 N--CA 1.449 -0.48 0 CA-C-N 115.943 -0.571 . . . . 15.0 114.254 176.036 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.817 ' C ' ' HD3' ' A' ' 439' ' ' LYS . 42.6 mttp -146.19 149.94 34.91 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 117.489 0.645 . . . . 15.0 112.626 168.229 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 445' ' ' THR . . . . . 0.564 ' N ' ' HD3' ' A' ' 439' ' ' LYS . 0.0 OUTLIER -96.66 145.3 25.89 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.17 0.509 . . . . 15.0 111.563 -179.041 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 52.0 p90 -130.09 146.81 51.77 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.282 -0.872 . . . . 15.0 108.656 175.132 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 447' ' ' TYR . . . . . 0.531 ' CD1' ' HB3' ' A' ' 437' ' ' GLU . 64.0 m-85 -99.98 123.69 44.5 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.379 0.609 . . . . 15.0 111.065 -174.631 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 55.1 t80 -109.43 124.09 50.44 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.247 -0.888 . . . . 15.0 110.665 -178.635 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.548 ' HB3' ' OG1' ' A' ' 452' ' ' THR . 24.1 t-20 -94.44 135.42 35.89 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.635 -0.876 . . . . 15.0 108.635 172.854 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 43.4 m-80 -76.82 -53.01 8.48 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 113.141 0.793 . . . . 15.0 113.141 -170.047 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 0.405 ' HE ' ' CD ' ' A' ' 434' ' ' GLU . 46.6 mtm180 -88.99 -1.11 57.95 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 118.836 -1.145 . . . . 15.0 112.306 -172.288 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 452' ' ' THR . . . . . 0.548 ' OG1' ' HB3' ' A' ' 449' ' ' ASN . 80.4 p -91.34 -31.49 16.06 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.422 0.629 . . . . 15.0 109.692 158.871 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 453' ' ' ASP . . . . . . . . . . . . . 36.8 t70 66.62 31.23 7.9 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 114.195 -1.366 . . . . 15.0 109.664 -175.159 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -101.14 141.36 34.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.663 -0.699 . . . . 15.0 110.339 -178.324 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 15.6 m -117.55 115.79 25.82 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.298 -0.63 . . . . 15.0 109.298 174.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 14.6 t -130.97 150.47 52.11 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.302 0.572 . . . . 15.0 110.842 -175.533 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 70.9 m95 -89.88 0.31 57.13 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.669 -0.696 . . . . 15.0 110.241 178.715 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -87.31 153.24 21.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.547 -0.751 . . . . 15.0 109.555 177.109 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 459' ' ' LYS . . . . . 0.481 ' HE2' ' O ' ' A' ' 463' ' ' LEU . 63.1 tttt -81.21 124.91 80.46 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 116.454 -0.339 . . . . 15.0 110.697 -175.587 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.543 ' HG2' ' HB3' ' A' ' 463' ' ' LEU . 6.6 Cg_endo -51.95 140.71 48.35 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 123.476 2.784 . . . . 15.0 112.656 178.176 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -72.05 -1.6 15.31 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.116 -0.493 . . . . 15.0 111.724 -176.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -102.94 -4.93 24.04 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.945 0.402 . . . . 15.0 110.383 174.74 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.543 ' HB3' ' HG2' ' A' ' 460' ' ' PRO . 21.7 tp -120.03 21.17 11.95 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.237 -0.438 . . . . 15.0 110.031 -176.313 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 464' ' ' LYS . . . . . 0.445 ' HG3' ' H ' ' A' ' 464' ' ' LYS . 21.2 mtmm . . . . . 0 C--O 1.248 0.984 0 CA-C-O 118.469 -0.777 . . . . 15.0 111.13 -175.564 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.804 0 N-CA-C 111.878 -0.489 . . . . 15.0 111.878 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 429' ' ' ALA . . . . . 0.574 ' O ' HG22 ' A' ' 430' ' ' THR . . . -87.51 109.62 19.74 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.993 -0.373 . . . . 15.0 109.993 177.136 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 430' ' ' THR . . . . . 0.574 HG22 ' O ' ' A' ' 429' ' ' ALA . 1.0 OUTLIER 58.81 8.75 1.0 Allowed 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.398 1.079 . . . . 15.0 112.028 -178.169 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 431' ' ' ALA . . . . . 0.402 ' HB1' ' HG3' ' A' ' 434' ' ' GLU . . . -137.53 100.83 4.33 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.123 -0.49 . . . . 15.0 110.085 -179.608 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 91.7 t -142.78 125.99 14.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 108.858 -0.793 . . . . 15.0 108.858 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 43.3 m 73.06 23.3 2.74 Favored 'General case' 0 C--N 1.328 -0.357 0 O-C-N 123.95 0.781 . . . . 15.0 110.292 -178.723 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 434' ' ' GLU . . . . . 0.5 ' O ' ' HA ' ' A' ' 449' ' ' ASN . 14.9 mm-40 -69.63 -27.78 65.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.496 -0.775 . . . . 15.0 110.93 -179.646 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.485 ' HB3' ' HB3' ' A' ' 447' ' ' TYR . 34.2 m95 -102.51 114.54 28.84 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.362 -0.835 . . . . 15.0 110.684 -173.482 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 4.9 m -91.4 146.09 24.1 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.844 -0.616 . . . . 15.0 109.65 177.158 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 437' ' ' GLU . . . . . 0.405 ' HG2' ' CE1' ' A' ' 447' ' ' TYR . 51.4 mt-10 -96.27 126.99 41.86 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.944 0.402 . . . . 15.0 111.462 -175.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 438' ' ' TYR . . . . . 0.453 ' O ' ' HA ' ' A' ' 445' ' ' THR . 78.0 m-85 -130.66 127.06 38.14 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.454 -0.793 . . . . 15.0 109.398 175.348 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 0.794 ' HD3' ' C ' ' A' ' 444' ' ' LYS . 11.9 tppt? -99.9 142.24 31.65 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 109.493 -0.558 . . . . 15.0 109.493 179.156 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 24.7 p -89.39 150.71 22.41 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 115.442 -0.799 . . . . 15.0 110.013 -178.371 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -49.58 -28.73 6.0 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 112.563 0.579 . . . . 15.0 112.563 -179.568 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -79.76 -4.11 50.55 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 121.159 0.504 . . . . 15.0 111.05 178.352 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.23 52.69 2.49 Favored Glycine 0 N--CA 1.447 -0.59 0 CA-C-N 115.728 -0.669 . . . . 15.0 114.581 174.373 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.794 ' C ' ' HD3' ' A' ' 439' ' ' LYS . 10.7 mttm -146.57 146.07 30.33 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 113.43 0.9 . . . . 15.0 113.43 169.26 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 445' ' ' THR . . . . . 0.615 ' N ' ' HD3' ' A' ' 439' ' ' LYS . 0.0 OUTLIER -96.13 145.47 25.48 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.52 0.676 . . . . 15.0 112.138 -179.242 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 42.7 p90 -129.26 135.78 49.23 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 114.806 -1.088 . . . . 15.0 108.597 171.789 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 447' ' ' TYR . . . . . 0.501 ' CD2' ' HD3' ' A' ' 460' ' ' PRO . 73.2 m-85 -92.61 112.36 24.29 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.224 -0.444 . . . . 15.0 110.564 -174.248 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 448' ' ' TYR . . . . . 0.423 ' CE1' ' HA ' ' A' ' 453' ' ' ASP . 29.1 t80 -100.41 120.99 40.8 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.987 -0.551 . . . . 15.0 110.864 -178.332 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.557 ' HB3' ' OG1' ' A' ' 452' ' ' THR . 37.3 t-20 -89.77 129.3 36.18 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.69 -0.855 . . . . 15.0 108.69 176.725 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 40.7 m-80 -73.23 -49.99 24.82 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 113.281 0.845 . . . . 15.0 113.281 -170.638 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 31.6 mtm180 -90.18 -1.68 57.97 Favored 'General case' 0 C--N 1.333 -0.145 0 C-N-CA 118.268 -1.373 . . . . 15.0 112.225 -173.486 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 452' ' ' THR . . . . . 0.621 ' OG1' ' HG2' ' A' ' 454' ' ' GLU . 70.4 p -91.2 -36.6 13.84 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.948 -0.76 . . . . 15.0 108.948 161.12 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 453' ' ' ASP . . . . . 0.423 ' HA ' ' CE1' ' A' ' 448' ' ' TYR . 36.8 t70 69.88 33.41 2.86 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 113.505 -1.679 . . . . 15.0 109.369 -174.347 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 454' ' ' GLU . . . . . 0.621 ' HG2' ' OG1' ' A' ' 452' ' ' THR . 10.8 pt-20 -116.99 145.15 43.84 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 115.817 -0.629 . . . . 15.0 110.212 -179.304 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 36.0 m -109.9 118.38 36.31 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.127 0.489 . . . . 15.0 110.982 -179.45 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 54.1 m -110.3 134.65 52.06 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.711 -0.677 . . . . 15.0 109.79 177.223 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 69.3 m95 -89.55 -23.65 21.95 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.145 0.498 . . . . 15.0 109.948 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -72.81 152.39 41.58 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.455 -0.793 . . . . 15.0 109.666 174.196 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 459' ' ' LYS . . . . . 0.63 ' HG2' ' HA ' ' A' ' 464' ' ' LYS . 18.0 tptm -64.76 120.62 67.75 Favored Pre-proline 0 C--N 1.326 -0.443 0 N-CA-C 110.208 -0.293 . . . . 15.0 110.208 -179.402 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.501 ' HD3' ' CD2' ' A' ' 447' ' ' TYR . 52.5 Cg_exo -56.7 144.14 87.44 Favored 'Trans proline' 0 C--N 1.343 0.253 0 C-N-CA 123.198 2.598 . . . . 15.0 111.826 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -67.29 -9.45 40.98 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.3 0.481 . . . . 15.0 112.3 -175.364 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -98.59 -14.33 19.96 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.135 0.493 . . . . 15.0 110.578 176.219 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 31.4 tp -120.1 0.94 10.82 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.211 -0.45 . . . . 15.0 110.995 -174.236 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 464' ' ' LYS . . . . . 0.63 ' HA ' ' HG2' ' A' ' 459' ' ' LYS . 19.0 pttp . . . . . 0 C--O 1.245 0.857 0 CA-C-O 118.116 -0.945 . . . . 15.0 111.597 -176.722 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.745 0 N-CA-C 111.464 -0.654 . . . . 15.0 111.464 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -87.63 149.94 23.98 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.956 -0.757 . . . . 15.0 108.956 174.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 71.3 p 55.05 15.95 1.37 Allowed 'General case' 0 N--CA 1.471 0.582 0 O-C-N 123.952 0.783 . . . . 15.0 112.367 -179.504 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -158.27 103.91 1.83 Allowed 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 116.052 -0.522 . . . . 15.0 110.03 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 57.7 t -146.22 132.82 14.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 108.745 -0.835 . . . . 15.0 108.745 -179.379 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 20.7 m 78.29 20.54 0.91 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.26 0.975 . . . . 15.0 109.656 179.227 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 434' ' ' GLU . . . . . 0.57 ' O ' ' HA ' ' A' ' 449' ' ' ASN . 19.8 mm-40 -68.01 -27.3 66.44 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.852 -1.067 . . . . 15.0 110.773 -179.773 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.493 ' CZ3' HG22 ' A' ' 456' ' ' THR . 68.9 m95 -104.03 122.2 44.75 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.628 -0.714 . . . . 15.0 111.025 -173.328 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 6.3 m -106.04 149.02 27.08 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.811 -0.631 . . . . 15.0 109.879 176.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -101.25 121.49 41.96 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.385 0.612 . . . . 15.0 111.571 -178.264 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 438' ' ' TYR . . . . . 0.565 ' O ' ' HA ' ' A' ' 445' ' ' THR . 74.8 m-85 -124.72 128.12 48.3 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.252 -0.885 . . . . 15.0 109.049 174.134 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 0.736 ' HD3' ' C ' ' A' ' 444' ' ' LYS . 10.2 tppt? -89.92 125.02 35.21 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.338 0.589 . . . . 15.0 110.668 -177.611 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -89.77 150.74 22.14 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.196 -0.911 . . . . 15.0 110.013 176.662 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -47.84 -15.46 0.06 Allowed 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 114.205 1.187 . . . . 15.0 114.205 -176.448 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -80.66 -2.23 45.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.242 0.544 . . . . 15.0 110.377 177.778 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 443' ' ' GLY . . . . . 0.455 ' C ' ' HD2' ' A' ' 439' ' ' LYS . . . 89.97 35.15 7.82 Favored Glycine 0 N--CA 1.448 -0.523 0 CA-C-N 115.46 -0.791 . . . . 15.0 113.759 170.822 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.736 ' C ' ' HD3' ' A' ' 439' ' ' LYS . 33.0 mttp -150.43 157.61 43.22 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 117.093 0.446 . . . . 15.0 112.037 176.333 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 445' ' ' THR . . . . . 0.565 ' HA ' ' O ' ' A' ' 438' ' ' TYR . 33.8 p -93.87 136.33 34.27 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.367 0.603 . . . . 15.0 111.4 178.23 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 446' ' ' TYR . . . . . 0.403 ' CZ ' ' HB2' ' A' ' 438' ' ' TYR . 52.7 p90 -100.01 136.9 39.21 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 108.412 -0.958 . . . . 15.0 108.412 171.564 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 38.7 m-85 -91.46 114.89 27.55 Favored 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 109.958 -0.386 . . . . 15.0 109.958 -176.124 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 448' ' ' TYR . . . . . 0.438 ' O ' ' HA ' ' A' ' 435' ' ' TRP . 52.2 t80 -109.87 125.7 53.06 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.204 -0.453 . . . . 15.0 111.062 -177.703 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.731 ' HB3' ' OG1' ' A' ' 452' ' ' THR . 43.8 t-20 -96.07 133.85 39.83 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.401 -0.592 . . . . 15.0 109.401 175.245 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 44.5 m-80 -75.94 -50.54 14.68 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 113.245 0.831 . . . . 15.0 113.245 -172.625 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 50.4 mtm180 -90.2 -1.16 57.9 Favored 'General case' 0 N--CA 1.463 0.183 0 C-N-CA 118.803 -1.159 . . . . 15.0 111.762 -172.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 452' ' ' THR . . . . . 0.731 ' OG1' ' HB3' ' A' ' 449' ' ' ASN . 68.9 p -91.12 -36.08 14.2 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 108.536 -0.913 . . . . 15.0 108.536 161.654 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 453' ' ' ASP . . . . . . . . . . . . . 33.1 t70 69.06 36.26 2.51 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 113.838 -1.528 . . . . 15.0 109.287 -177.066 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 454' ' ' GLU . . . . . 0.475 ' HG3' ' HB ' ' A' ' 452' ' ' THR . 1.4 pp20? -134.93 150.08 50.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.708 -0.678 . . . . 15.0 111.011 178.4 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 34.5 t -120.62 134.11 55.31 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.657 -0.701 . . . . 15.0 110.693 -176.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 456' ' ' THR . . . . . 0.493 HG22 ' CZ3' ' A' ' 435' ' ' TRP . 8.9 t -120.1 149.79 41.64 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.777 -0.647 . . . . 15.0 109.991 176.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 77.9 m95 -92.66 -3.41 54.97 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.34 0.59 . . . . 15.0 109.703 177.818 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -93.46 140.81 29.16 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.125 -0.943 . . . . 15.0 109.408 178.089 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 459' ' ' LYS . . . . . 1.01 ' HD3' ' HA ' ' A' ' 464' ' ' LYS . 33.9 ttmt -55.67 125.18 60.25 Favored Pre-proline 0 C--N 1.328 -0.335 0 O-C-N 123.252 0.345 . . . . 15.0 111.404 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -63.32 150.09 89.5 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 123.296 2.664 . . . . 15.0 112.142 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 32.9 mm-40 -68.21 -11.27 59.01 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.628 0.603 . . . . 15.0 112.628 -174.312 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -99.36 -3.04 34.8 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.153 0.501 . . . . 15.0 110.49 177.111 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 31.3 tp -120.09 8.76 11.02 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.733 -0.667 . . . . 15.0 110.091 -178.11 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 464' ' ' LYS . . . . . 1.01 ' HA ' ' HD3' ' A' ' 459' ' ' LYS . 19.0 ptpt . . . . . 0 C--O 1.252 1.223 0 CA-C-O 118.955 -0.545 . . . . 15.0 111.604 -175.204 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.561 0 N-CA-C 111.511 -0.635 . . . . 15.0 111.511 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -70.13 149.49 47.52 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.88 0.371 . . . . 15.0 110.716 179.185 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 5.5 p -84.75 40.17 0.79 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.153 -0.476 . . . . 15.0 111.716 -178.69 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -129.87 92.41 3.31 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.178 -0.465 . . . . 15.0 110.353 179.074 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 9.3 p -170.25 135.97 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.911 -0.586 . . . . 15.0 110.168 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 35.3 p 53.64 29.81 9.93 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 123.669 0.788 . . . . 15.0 111.742 177.078 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -89.66 -21.33 22.82 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.089 -0.505 . . . . 15.0 110.329 178.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.488 ' HA ' ' O ' ' A' ' 448' ' ' TYR . 56.0 m95 -103.45 127.71 50.77 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.51 -0.768 . . . . 15.0 110.751 -175.697 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 3.5 m -117.34 144.02 45.35 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.352 -0.61 . . . . 15.0 109.352 175.379 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 437' ' ' GLU . . . . . 0.64 ' HB3' ' CD1' ' A' ' 447' ' ' TYR . 0.2 OUTLIER -121.2 134.79 55.21 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-O 121.499 0.666 . . . . 15.0 111.437 -176.481 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -122.45 138.17 54.63 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.292 -0.867 . . . . 15.0 109.085 176.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 0.843 ' HD3' ' C ' ' A' ' 444' ' ' LYS . 4.7 tppp? -89.72 127.03 35.88 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.496 -0.557 . . . . 15.0 109.496 -178.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 24.6 p -89.56 150.63 22.34 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 115.415 -0.812 . . . . 15.0 110.017 -176.807 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -48.19 -22.19 0.61 Allowed 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 113.173 0.805 . . . . 15.0 113.173 -176.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -78.71 -2.21 38.2 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 121.046 0.451 . . . . 15.0 111.063 177.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.94 37.62 6.74 Favored Glycine 0 N--CA 1.448 -0.554 0 CA-C-N 115.927 -0.579 . . . . 15.0 114.517 170.673 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.843 ' C ' ' HD3' ' A' ' 439' ' ' LYS . 35.5 mtmm -151.24 155.49 38.9 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 117.58 0.69 . . . . 15.0 112.472 175.101 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 445' ' ' THR . . . . . 0.688 HG23 ' HE3' ' A' ' 439' ' ' LYS . 0.6 OUTLIER -98.48 143.15 29.23 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.679 -0.691 . . . . 15.0 111.615 -177.663 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 44.5 p90 -115.71 137.79 51.73 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 108.814 -0.81 . . . . 15.0 108.814 171.602 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 447' ' ' TYR . . . . . 0.64 ' CD1' ' HB3' ' A' ' 437' ' ' GLU . 97.1 m-85 -98.93 122.02 41.64 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-O 121.19 0.519 . . . . 15.0 110.66 -174.647 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 448' ' ' TYR . . . . . 0.488 ' O ' ' HA ' ' A' ' 435' ' ' TRP . 46.0 t80 -113.38 123.81 50.96 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.131 -0.941 . . . . 15.0 111.247 -174.217 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -90.11 139.04 31.01 Favored 'General case' 0 CA--C 1.513 -0.449 0 N-CA-C 109.021 -0.733 . . . . 15.0 109.021 172.162 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 31.3 m-80 -75.14 -62.21 1.63 Allowed 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 113.57 0.952 . . . . 15.0 113.57 -172.642 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -87.67 -1.57 58.04 Favored 'General case' 0 CA--C 1.513 -0.455 0 C-N-CA 118.009 -1.477 . . . . 15.0 112.796 -168.182 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 25.9 p -91.93 -29.78 16.47 Favored 'General case' 0 C--N 1.309 -1.185 0 CA-C-O 121.778 0.799 . . . . 15.0 109.688 163.05 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 453' ' ' ASP . . . . . . . . . . . . . 17.1 t70 54.76 75.35 0.3 Allowed 'General case' 0 C--O 1.231 0.109 0 CA-C-N 113.684 -1.598 . . . . 15.0 110.474 -174.225 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 454' ' ' GLU . . . . . 0.431 ' O ' ' HA ' ' A' ' 448' ' ' TYR . 12.6 pt-20 -144.73 142.5 30.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 114.887 -1.052 . . . . 15.0 109.961 178.302 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 15.0 m -120.88 120.79 36.53 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.11 -0.496 . . . . 15.0 109.952 -178.7 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 14.7 t -133.73 150.12 51.49 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.019 0.438 . . . . 15.0 111.036 -177.572 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 51.6 m95 -89.54 65.75 7.09 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.531 -0.544 . . . . 15.0 109.531 176.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -158.85 128.84 5.79 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.528 -0.76 . . . . 15.0 109.518 -178.784 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 459' ' ' LYS . . . . . 0.407 ' HA ' ' HD2' ' A' ' 460' ' ' PRO . 33.3 tttm -70.96 116.28 44.8 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 116.128 -0.487 . . . . 15.0 109.927 -177.708 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.949 ' HG2' ' HB3' ' A' ' 463' ' ' LEU . 11.1 Cg_endo -53.93 150.26 31.18 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 123.625 2.883 . . . . 15.0 112.657 -178.372 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -72.2 -20.09 61.63 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.518 -0.31 . . . . 15.0 111.433 -178.436 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.08 -21.22 33.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.489 0.662 . . . . 15.0 109.907 176.717 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.949 ' HB3' ' HG2' ' A' ' 460' ' ' PRO . 29.3 tp -119.98 30.77 6.84 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.184 -0.917 . . . . 15.0 109.269 -179.319 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.242 0.665 0 CA-C-N 115.362 -0.836 . . . . 15.0 110.542 -177.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.831 0 N-CA-C 111.566 -0.613 . . . . 15.0 111.566 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -69.5 105.69 2.72 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 108.933 -0.766 . . . . 15.0 108.933 173.229 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 430' ' ' THR . . . . . 0.501 ' HA ' ' OE1' ' A' ' 437' ' ' GLU . 1.6 p -46.56 99.4 0.02 OUTLIER 'General case' 0 C--O 1.234 0.24 0 N-CA-C 113.9 1.074 . . . . 15.0 113.9 -168.56 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . 62.73 97.24 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 114.989 -1.005 . . . . 15.0 112.303 175.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 432' ' ' VAL . . . . . 0.419 HG22 HD13 ' A' ' 463' ' ' LEU . 16.3 m -130.7 116.2 33.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 121.144 0.497 . . . . 15.0 110.776 177.694 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 3.8 m 59.59 -136.06 0.78 Allowed 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.757 -0.656 . . . . 15.0 111.147 175.391 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 434' ' ' GLU . . . . . 0.447 ' O ' ' HA ' ' A' ' 449' ' ' ASN . 9.6 mm-40 -42.62 -44.13 4.1 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 114.815 -1.084 . . . . 15.0 112.999 179.204 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 79.5 m95 -94.47 116.7 29.1 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.243 0.544 . . . . 15.0 111.675 -170.06 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 2.9 m -107.25 144.1 34.54 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.643 -0.708 . . . . 15.0 109.558 175.266 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 437' ' ' GLU . . . . . 0.501 ' OE1' ' HA ' ' A' ' 430' ' ' THR . 50.1 mt-10 -110.12 125.27 52.82 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.978 0.418 . . . . 15.0 111.354 -176.596 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 438' ' ' TYR . . . . . 0.457 ' O ' ' HA ' ' A' ' 445' ' ' THR . 77.7 m-85 -129.73 134.35 47.57 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.598 -0.728 . . . . 15.0 110.064 176.244 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 0.817 ' HD3' ' C ' ' A' ' 444' ' ' LYS . 4.9 tppp? -91.53 139.34 30.8 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.105 -0.498 . . . . 15.0 109.77 178.149 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 42.6 p -89.44 150.67 22.4 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.704 -0.68 . . . . 15.0 109.847 179.168 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -52.87 -19.72 2.75 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 112.925 0.713 . . . . 15.0 112.925 -178.642 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -89.07 2.75 53.62 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-O 121.381 0.61 . . . . 15.0 110.538 177.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 443' ' ' GLY . . . . . 0.452 ' C ' ' HD2' ' A' ' 439' ' ' LYS . . . 90.08 42.32 5.33 Favored Glycine 0 N--CA 1.45 -0.43 0 N-CA-C 115.99 1.156 . . . . 15.0 115.99 166.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.817 ' C ' ' HD3' ' A' ' 439' ' ' LYS . 4.3 mptt -148.24 153.9 39.35 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 117.992 0.896 . . . . 15.0 112.425 168.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 445' ' ' THR . . . . . 0.529 HG23 ' HE3' ' A' ' 439' ' ' LYS . 1.0 OUTLIER -91.8 141.07 29.06 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.78 -0.645 . . . . 15.0 112.216 -177.297 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 54.1 p90 -114.45 141.24 47.94 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.873 -0.788 . . . . 15.0 108.873 172.409 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 447' ' ' TYR . . . . . 0.45 ' OH ' ' HE2' ' A' ' 459' ' ' LYS . 49.5 m-85 -97.1 123.52 40.87 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.192 -0.458 . . . . 15.0 110.418 -174.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 448' ' ' TYR . . . . . 0.477 ' CD2' ' HB3' ' A' ' 455' ' ' SER . 20.0 t80 -125.4 125.65 43.73 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.238 -0.437 . . . . 15.0 110.838 -173.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.521 ' HB3' ' HG2' ' A' ' 454' ' ' GLU . 46.3 t-20 -96.67 128.33 43.51 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.165 -1.05 . . . . 15.0 108.165 172.675 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 48.4 m-80 -78.98 -46.57 17.99 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 112.948 0.721 . . . . 15.0 112.948 -171.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 38.7 mtm180 -90.09 -1.7 57.99 Favored 'General case' 0 N--CA 1.463 0.194 0 C-N-CA 118.362 -1.335 . . . . 15.0 112.58 -173.728 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 452' ' ' THR . . . . . 0.5 ' OG1' ' HB3' ' A' ' 449' ' ' ASN . 68.4 p -91.4 -34.46 14.85 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.712 0.768 . . . . 15.0 109.1 160.118 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 453' ' ' ASP . . . . . . . . . . . . . 30.6 t70 67.93 57.85 0.5 Allowed 'General case' 0 C--O 1.234 0.263 0 CA-C-N 113.569 -1.65 . . . . 15.0 109.925 -174.138 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 454' ' ' GLU . . . . . 0.521 ' HG2' ' HB3' ' A' ' 449' ' ' ASN . 13.0 pt-20 -127.78 145.77 50.81 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.055 -0.975 . . . . 15.0 110.277 -179.68 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 455' ' ' SER . . . . . 0.477 ' HB3' ' CD2' ' A' ' 448' ' ' TYR . 15.3 p -121.65 121.66 37.86 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.195 -0.457 . . . . 15.0 110.056 177.297 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 13.2 t -134.01 150.14 51.23 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.21 0.529 . . . . 15.0 111.022 -177.592 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 87.2 m95 -100.15 2.13 42.73 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.939 -0.573 . . . . 15.0 110.293 178.049 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -100.96 132.9 46.15 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.226 -0.657 . . . . 15.0 109.226 177.534 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 459' ' ' LYS . . . . . 0.45 ' HE2' ' OH ' ' A' ' 447' ' ' TYR . 36.5 ttmt -75.56 118.34 70.15 Favored Pre-proline 0 C--N 1.324 -0.528 0 N-CA-C 112.746 0.647 . . . . 15.0 112.746 -168.237 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.624 ' HG2' ' HB3' ' A' ' 463' ' ' LEU . 2.0 Cg_endo -47.13 150.26 3.14 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 124.337 3.358 . . . . 15.0 112.904 172.079 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -63.07 -34.92 78.62 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.175 -0.466 . . . . 15.0 111.004 -178.636 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -79.81 -12.32 59.78 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.7 -0.682 . . . . 15.0 111.457 -177.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.624 ' HB3' ' HG2' ' A' ' 460' ' ' PRO . 21.6 tp -114.62 4.06 15.0 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.183 0.516 . . . . 15.0 110.125 -175.51 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 464' ' ' LYS . . . . . 0.441 ' HA ' ' CD ' ' A' ' 459' ' ' LYS . 4.6 ttmp? . . . . . 0 C--O 1.245 0.845 0 CA-C-O 118.348 -0.834 . . . . 15.0 110.097 -179.573 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.796 0 N-CA-C 112.179 -0.368 . . . . 15.0 112.179 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -167.38 146.74 5.11 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 110.1 -0.333 . . . . 15.0 110.1 -179.124 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 6.0 m -125.38 47.07 2.24 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.733 0.778 . . . . 15.0 109.822 177.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 431' ' ' ALA . . . . . 0.667 ' HA ' ' OE1' ' A' ' 434' ' ' GLU . . . -84.45 82.27 8.47 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.41 -0.814 . . . . 15.0 109.587 178.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 47.6 t -137.64 121.33 21.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.373 -0.83 . . . . 15.0 111.028 -178.063 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 41.9 m 63.64 25.39 14.27 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 112.998 0.74 . . . . 15.0 112.998 169.473 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 434' ' ' GLU . . . . . 0.667 ' OE1' ' HA ' ' A' ' 431' ' ' ALA . 5.4 pt-20 -89.01 -1.19 57.99 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.044 0.449 . . . . 15.0 110.55 176.369 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 70.3 m95 -105.51 126.63 52.34 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.469 -0.787 . . . . 15.0 110.677 -178.726 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 3.0 m -117.36 144.54 44.82 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.249 -0.432 . . . . 15.0 109.842 175.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -99.97 125.54 46.01 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.125 0.488 . . . . 15.0 110.379 -176.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 438' ' ' TYR . . . . . 0.456 ' HB2' ' CZ ' ' A' ' 446' ' ' TYR . 76.8 m-85 -122.39 150.02 43.0 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.717 -0.674 . . . . 15.0 109.684 177.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 0.834 ' HD2' ' N ' ' A' ' 444' ' ' LYS . 3.4 tppp? -103.71 136.13 43.98 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.872 0.368 . . . . 15.0 111.018 179.359 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 440' ' ' THR . . . . . 0.492 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 20.6 p -89.95 150.26 22.24 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.998 -0.546 . . . . 15.0 109.841 173.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -63.92 -0.66 1.16 Allowed 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 113.464 0.913 . . . . 15.0 113.464 -174.51 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -96.25 1.52 52.17 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 122.021 -0.425 . . . . 15.0 110.133 175.313 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.01 54.7 2.12 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.947 -0.644 . . . . 15.0 112.674 177.618 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.834 ' N ' ' HD2' ' A' ' 439' ' ' LYS . 35.3 mttp -147.47 132.24 17.96 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 115.301 1.593 . . . . 15.0 115.301 -177.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 445' ' ' THR . . . . . 0.65 HG23 ' HE3' ' A' ' 439' ' ' LYS . 0.7 OUTLIER -90.04 141.27 28.84 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 116.125 -0.489 . . . . 15.0 111.068 176.003 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 446' ' ' TYR . . . . . 0.461 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 51.8 p90 -140.82 148.72 41.02 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.791 -0.448 . . . . 15.0 109.791 178.646 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 57.1 m-85 -99.7 121.03 40.64 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.565 0.698 . . . . 15.0 111.043 -176.333 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 18.0 t80 -108.42 117.42 34.13 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 114.872 -1.058 . . . . 15.0 109.567 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.665 ' HB3' ' OG1' ' A' ' 452' ' ' THR . 39.2 t-20 -91.39 128.61 37.28 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 108.587 -0.894 . . . . 15.0 108.587 174.515 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 46.1 m-80 -72.1 -47.5 50.84 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 115.895 -0.593 . . . . 15.0 112.243 -175.796 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 78.1 mtm180 -90.1 -1.91 58.02 Favored 'General case' 0 C--N 1.332 -0.154 0 C-N-CA 118.818 -1.153 . . . . 15.0 112.596 -173.255 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 452' ' ' THR . . . . . 0.665 ' OG1' ' HB3' ' A' ' 449' ' ' ASN . 81.3 p -91.12 -39.55 12.09 Favored 'General case' 0 CA--C 1.515 -0.4 0 N-CA-C 108.722 -0.844 . . . . 15.0 108.722 159.47 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 453' ' ' ASP . . . . . . . . . . . . . 31.2 t70 75.09 36.28 0.54 Allowed 'General case' 0 C--N 1.344 0.366 0 CA-C-N 113.334 -1.757 . . . . 15.0 109.518 -175.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 454' ' ' GLU . . . . . 0.536 ' HG2' ' OG1' ' A' ' 452' ' ' THR . 11.7 pt-20 -114.12 149.92 34.89 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.055 -0.52 . . . . 15.0 111.016 -178.164 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 5.1 m -119.52 114.54 22.42 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.852 -0.613 . . . . 15.0 109.787 176.451 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 7.0 t -140.49 150.18 43.43 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.153 0.501 . . . . 15.0 111.635 -177.438 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.528 ' HZ3' ' HB3' ' A' ' 444' ' ' LYS . 8.0 m95 -85.92 -3.27 58.88 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.454 -0.793 . . . . 15.0 109.975 178.824 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.7 140.6 35.51 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 108.319 -0.993 . . . . 15.0 108.319 -178.793 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 459' ' ' LYS . . . . . 0.465 ' HA ' ' HD2' ' A' ' 460' ' ' PRO . 42.9 tttm -84.49 116.99 67.65 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-O 120.898 0.38 . . . . 15.0 111.423 -169.568 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.833 ' HG2' ' HB3' ' A' ' 463' ' ' LEU . 9.4 Cg_endo -53.24 145.07 45.72 Favored 'Trans proline' 0 C--N 1.343 0.27 0 C-N-CA 123.589 2.859 . . . . 15.0 112.674 177.733 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 33.2 mm-40 -78.95 -15.84 57.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.309 -0.405 . . . . 15.0 111.661 -178.527 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -88.75 -16.54 31.93 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.395 0.616 . . . . 15.0 110.239 175.511 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.833 ' HB3' ' HG2' ' A' ' 460' ' ' PRO . 31.0 tp -119.88 35.06 4.97 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.147 -1.057 . . . . 15.0 108.147 176.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 85.7 tttt . . . . . 0 C--O 1.245 0.861 0 CA-C-N 114.882 -1.053 . . . . 15.0 110.731 -174.74 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.678 0 N-CA-C 111.485 -0.646 . . . . 15.0 111.485 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 429' ' ' ALA . . . . . 0.673 ' HB3' HD12 ' A' ' 463' ' ' LEU . . . -119.12 154.04 33.87 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.364 -0.606 . . . . 15.0 109.364 175.271 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 430' ' ' THR . . . . . 0.811 HG22 ' HA ' ' A' ' 433' ' ' SER . 5.1 m -94.78 -15.76 23.55 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.908 0.385 . . . . 15.0 110.965 -178.439 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 431' ' ' ALA . . . . . 0.7 ' HB3' ' HB2' ' A' ' 435' ' ' TRP . . . 44.43 74.99 0.11 Allowed 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.468 -0.787 . . . . 15.0 112.393 177.766 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 34.2 m 42.93 41.67 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 124.132 0.973 . . . . 15.0 112.434 -177.259 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 433' ' ' SER . . . . . 0.811 ' HA ' HG22 ' A' ' 430' ' ' THR . 17.4 m 54.73 12.68 0.6 Allowed 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 113.095 -1.866 . . . . 15.0 113.746 -179.363 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 434' ' ' GLU . . . . . 0.771 ' HG2' HD21 ' A' ' 449' ' ' ASN . 20.7 tt0 -90.61 -36.06 14.63 Favored 'General case' 0 C--N 1.304 -1.373 0 CA-C-N 115.936 -0.575 . . . . 15.0 111.272 -176.295 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.7 ' HB2' ' HB3' ' A' ' 431' ' ' ALA . 89.7 m95 -117.57 148.45 41.89 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.896 -0.593 . . . . 15.0 111.043 -173.567 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 3.9 m -150.01 145.72 26.59 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.166 -0.679 . . . . 15.0 109.166 171.479 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 437' ' ' GLU . . . . . 0.419 ' HA ' ' O ' ' A' ' 446' ' ' TYR . 0.7 OUTLIER -112.41 127.65 56.08 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.508 0.671 . . . . 15.0 110.247 179.24 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 438' ' ' TYR . . . . . 0.52 ' O ' ' HA ' ' A' ' 445' ' ' THR . 98.9 m-85 -115.8 142.79 46.3 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.008 -0.542 . . . . 15.0 110.167 -178.104 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 0.764 ' HZ2' HG23 ' A' ' 445' ' ' THR . 0.0 OUTLIER -89.87 128.51 36.2 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.404 -0.591 . . . . 15.0 109.404 178.347 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 16.4 p -89.58 150.92 22.19 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 115.299 -0.864 . . . . 15.0 110.046 -178.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -47.81 -20.49 0.3 Allowed 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 113.336 0.865 . . . . 15.0 113.336 -178.69 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -81.17 -3.62 52.76 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 121.09 0.471 . . . . 15.0 111.049 177.055 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 443' ' ' GLY . . . . . 0.441 ' C ' ' HD2' ' A' ' 439' ' ' LYS . . . 90.22 40.31 5.82 Favored Glycine 0 N--CA 1.449 -0.49 0 N-CA-C 114.696 0.639 . . . . 15.0 114.696 171.791 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.759 ' C ' ' HD3' ' A' ' 439' ' ' LYS . 41.6 mmtm -145.32 153.68 41.52 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 117.648 0.724 . . . . 15.0 112.627 173.148 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 445' ' ' THR . . . . . 0.764 HG23 ' HZ2' ' A' ' 439' ' ' LYS . 0.6 OUTLIER -92.83 140.58 29.36 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.854 -0.612 . . . . 15.0 111.248 176.701 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 446' ' ' TYR . . . . . 0.419 ' O ' ' HA ' ' A' ' 437' ' ' GLU . 43.1 p90 -122.23 143.81 49.36 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.603 -0.888 . . . . 15.0 108.603 176.386 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -90.04 114.44 26.32 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-O 121.332 0.587 . . . . 15.0 110.21 -174.737 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -110.88 122.22 47.32 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.326 -0.852 . . . . 15.0 111.031 -175.362 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.771 HD21 ' HG2' ' A' ' 434' ' ' GLU . 24.3 t-20 -95.26 127.48 41.34 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.339 -0.986 . . . . 15.0 108.339 169.597 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 41.9 m-80 -70.96 -48.23 54.55 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 112.852 0.686 . . . . 15.0 112.852 -172.251 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 77.9 mtm180 -90.48 -1.33 57.89 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 118.604 -1.238 . . . . 15.0 112.612 -171.659 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 452' ' ' THR . . . . . 0.605 ' OG1' ' HB3' ' A' ' 449' ' ' ASN . 73.6 p -91.0 -38.48 12.8 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.594 0.711 . . . . 15.0 109.142 159.433 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 453' ' ' ASP . . . . . . . . . . . . . 31.9 t70 72.09 37.33 1.01 Allowed 'General case' 0 C--N 1.343 0.324 0 CA-C-N 113.683 -1.599 . . . . 15.0 109.384 -173.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -101.22 137.12 39.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.496 -0.774 . . . . 15.0 110.876 -179.267 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 18.6 m -106.49 105.44 15.48 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.221 -0.659 . . . . 15.0 109.221 173.249 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 15.3 t -120.87 150.05 41.65 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.87 0.367 . . . . 15.0 110.725 -175.102 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 78.8 m95 -105.16 5.68 32.47 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.106 0.479 . . . . 15.0 110.231 -179.361 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -97.87 134.32 41.17 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.24 -0.652 . . . . 15.0 109.24 177.591 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 459' ' ' LYS . . . . . 0.962 ' HD3' ' HA ' ' A' ' 464' ' ' LYS . 27.5 ttmt -75.79 118.87 74.21 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.012 0.434 . . . . 15.0 112.061 -173.292 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.5 ' HD2' ' HB3' ' A' ' 463' ' ' LEU . 14.3 Cg_exo -70.28 149.37 63.48 Favored 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 123.418 2.746 . . . . 15.0 111.852 176.879 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 461' ' ' GLN . . . . . 0.482 ' CD ' ' H ' ' A' ' 461' ' ' GLN . 3.3 pm0 -67.3 -19.16 65.44 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.106 -0.497 . . . . 15.0 112.211 -176.28 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -91.79 -8.16 47.51 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.81 0.338 . . . . 15.0 110.827 176.702 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.673 HD12 ' HB3' ' A' ' 429' ' ' ALA . 32.1 tp -119.81 9.11 11.25 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.25 -0.432 . . . . 15.0 110.948 -176.259 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 464' ' ' LYS . . . . . 0.962 ' HA ' ' HD3' ' A' ' 459' ' ' LYS . 1.1 pptp? . . . . . 0 C--O 1.248 0.994 0 CA-C-O 119.089 -0.482 . . . . 15.0 112.059 -177.425 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.759 0 N-CA-C 112.239 -0.344 . . . . 15.0 112.239 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -97.83 145.27 26.57 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.753 0.311 . . . . 15.0 110.643 179.526 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 11.2 t 179.64 -20.48 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.901 -0.59 . . . . 15.0 110.596 -178.635 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 431' ' ' ALA . . . . . 0.404 ' HB2' HD13 ' A' ' 463' ' ' LEU . . . 61.78 110.97 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 115.337 -0.847 . . . . 15.0 111.195 -176.133 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 5.2 t -82.43 47.96 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 122.245 1.021 . . . . 15.0 110.701 -176.134 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 49.2 m 50.82 15.93 0.28 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 113.709 -1.587 . . . . 15.0 113.249 -179.075 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -90.29 -21.28 22.14 Favored 'General case' 0 C--N 1.311 -1.1 0 CA-C-N 115.442 -0.799 . . . . 15.0 110.391 178.474 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 92.0 m95 -107.58 112.39 25.1 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.526 -0.761 . . . . 15.0 109.78 177.154 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 8.9 m -110.86 149.55 30.44 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.235 -0.439 . . . . 15.0 110.494 -178.598 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 437' ' ' GLU . . . . . 0.405 ' HG2' ' CE1' ' A' ' 447' ' ' TYR . 40.1 mt-10 -103.1 134.74 46.02 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.236 -0.438 . . . . 15.0 111.045 -179.572 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 438' ' ' TYR . . . . . 0.48 ' O ' ' HA ' ' A' ' 445' ' ' THR . 72.6 m-85 -128.57 124.84 36.97 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.867 -0.79 . . . . 15.0 108.867 171.549 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 0.801 ' HD3' ' C ' ' A' ' 444' ' ' LYS . 4.9 tppp? -89.79 121.99 32.45 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.996 0.427 . . . . 15.0 110.072 -177.86 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 3.3 p -89.85 150.42 22.23 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.786 -0.643 . . . . 15.0 110.12 178.011 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -48.41 -19.56 0.32 Allowed 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 114.263 1.209 . . . . 15.0 114.263 -175.216 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -74.33 -4.28 35.37 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.167 0.508 . . . . 15.0 110.381 177.436 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.2 37.38 6.71 Favored Glycine 0 N--CA 1.445 -0.705 0 CA-C-N 115.617 -0.72 . . . . 15.0 114.302 172.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.801 ' C ' ' HD3' ' A' ' 439' ' ' LYS . 29.8 mtmm -152.1 156.98 40.95 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 117.247 0.523 . . . . 15.0 112.299 173.011 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 445' ' ' THR . . . . . 0.496 ' N ' ' HD3' ' A' ' 439' ' ' LYS . 18.9 p -92.54 139.01 31.02 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.717 -0.674 . . . . 15.0 111.304 177.77 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 446' ' ' TYR . . . . . 0.409 ' CE1' ' HB2' ' A' ' 438' ' ' TYR . 53.3 p90 -103.81 140.14 38.06 Favored 'General case' 0 N--CA 1.446 -0.641 0 N-CA-C 108.197 -1.038 . . . . 15.0 108.197 169.272 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 447' ' ' TYR . . . . . 0.405 ' CE1' ' HG2' ' A' ' 437' ' ' GLU . 53.4 m-85 -89.81 118.38 29.35 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-O 121.536 0.684 . . . . 15.0 110.712 -173.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 36.9 t80 -112.89 117.92 33.45 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 114.86 -1.063 . . . . 15.0 110.001 -175.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.501 ' HB3' ' OG1' ' A' ' 452' ' ' THR . 22.9 t-20 -90.07 129.56 36.36 Favored 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 108.525 -0.917 . . . . 15.0 108.525 174.442 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 52.5 m-80 -78.41 -46.51 19.68 Favored 'General case' 0 C--N 1.311 -1.07 0 N-CA-C 112.466 0.543 . . . . 15.0 112.466 -174.363 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 22.0 mtm180 -90.78 -1.66 57.84 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 118.409 -1.316 . . . . 15.0 113.017 -172.008 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 452' ' ' THR . . . . . 0.501 ' OG1' ' HB3' ' A' ' 449' ' ' ASN . 73.0 p -91.55 -38.54 12.44 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 122.027 0.918 . . . . 15.0 109.184 159.016 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 453' ' ' ASP . . . . . . . . . . . . . 19.6 t70 69.47 71.46 0.25 Allowed 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 112.887 -1.961 . . . . 15.0 109.946 -171.181 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 454' ' ' GLU . . . . . 0.44 ' HG2' ' OG1' ' A' ' 452' ' ' THR . 12.3 pt-20 -144.32 149.97 37.07 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.476 -0.784 . . . . 15.0 111.099 179.616 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 8.9 m -116.84 117.04 28.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.066 -0.515 . . . . 15.0 110.347 177.017 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 9.9 t -133.07 146.4 51.64 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 110.211 -0.292 . . . . 15.0 110.211 -179.753 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 90.4 m95 -92.16 -3.61 55.37 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.871 0.367 . . . . 15.0 111.024 -179.667 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -92.09 143.3 26.6 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.82 -0.437 . . . . 15.0 109.82 178.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 459' ' ' LYS . . . . . 0.504 ' HE2' ' O ' ' A' ' 463' ' ' LEU . 64.2 tttt -74.31 120.56 82.04 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-N 116.158 -0.474 . . . . 15.0 111.226 -173.712 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.582 ' HG2' ' HB3' ' A' ' 463' ' ' LEU . 6.8 Cg_endo -51.82 144.56 34.69 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 123.93 3.086 . . . . 15.0 112.819 176.632 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 461' ' ' GLN . . . . . 0.511 ' NE2' ' H ' ' A' ' 461' ' ' GLN . 0.3 OUTLIER -64.81 -21.68 66.83 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 116.118 -0.492 . . . . 15.0 111.889 -178.869 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -88.43 -2.07 58.4 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.409 -0.359 . . . . 15.0 111.331 179.181 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.582 ' HB3' ' HG2' ' A' ' 460' ' ' PRO . 54.5 tp -120.29 3.21 10.85 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 111.639 0.237 . . . . 15.0 111.639 -177.61 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 464' ' ' LYS . . . . . 0.462 ' HD2' ' HD3' ' A' ' 459' ' ' LYS . 13.9 mmmm . . . . . 0 C--O 1.251 1.151 0 CA-C-O 117.959 -1.02 . . . . 15.0 111.664 -175.341 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.804 0 N-CA-C 112.619 -0.193 . . . . 15.0 112.619 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -91.58 142.43 27.64 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.922 0.361 . . . . 15.0 110.239 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 430' ' ' THR . . . . . 0.445 ' H ' ' CD ' ' A' ' 437' ' ' GLU . 0.3 OUTLIER -94.46 -31.52 13.92 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.59 0.709 . . . . 15.0 109.948 -179.031 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 431' ' ' ALA . . . . . 0.43 ' HA ' ' HA ' ' A' ' 436' ' ' THR . . . 52.84 77.65 0.16 Allowed 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 113.855 -1.52 . . . . 15.0 110.629 -175.576 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 432' ' ' VAL . . . . . 0.856 HG11 HD13 ' A' ' 463' ' ' LEU . 3.0 p -75.54 92.32 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.585 0.707 . . . . 15.0 110.107 178.156 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 21.9 t 62.01 -135.79 0.52 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.313 -0.858 . . . . 15.0 109.902 -179.279 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 434' ' ' GLU . . . . . 0.426 ' H ' ' HG2' ' A' ' 434' ' ' GLU . 9.3 pt-20 -64.13 -10.63 23.84 Favored 'General case' 0 C--N 1.305 -1.339 0 CA-C-N 114.599 -1.182 . . . . 15.0 113.081 178.621 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.509 ' HB2' HG13 ' A' ' 432' ' ' VAL . 89.1 m95 -103.56 129.23 50.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.763 0.316 . . . . 15.0 110.821 -179.283 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.43 ' HA ' ' HA ' ' A' ' 431' ' ' ALA . 3.9 m -120.91 145.84 47.25 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.753 -0.462 . . . . 15.0 109.753 175.357 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 437' ' ' GLU . . . . . 0.445 ' CD ' ' H ' ' A' ' 430' ' ' THR . 0.9 OUTLIER -111.38 130.05 55.81 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.411 0.624 . . . . 15.0 111.081 -177.545 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 84.6 m-85 -125.45 144.28 50.6 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.588 -0.733 . . . . 15.0 109.63 179.015 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 0.809 ' HD2' ' N ' ' A' ' 444' ' ' LYS . 0.0 OUTLIER -105.87 136.97 44.56 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.015 0.436 . . . . 15.0 110.965 -178.855 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 14.1 p -89.84 150.21 22.33 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.637 -0.711 . . . . 15.0 109.471 172.399 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -66.02 -1.68 3.33 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 113.261 0.838 . . . . 15.0 113.261 -171.624 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 30.5 p-10 -96.02 5.32 51.44 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.98 0.419 . . . . 15.0 110.629 179.384 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.07 51.23 2.85 Favored Glycine 0 N--CA 1.452 -0.292 0 CA-C-N 115.953 -0.567 . . . . 15.0 113.016 175.338 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.809 ' N ' ' HD2' ' A' ' 439' ' ' LYS . 23.0 mtmm -150.93 130.84 13.3 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 115.023 1.49 . . . . 15.0 115.023 178.878 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 445' ' ' THR . . . . . 0.406 ' HA ' ' HA ' ' A' ' 439' ' ' LYS . 0.2 OUTLIER -98.47 150.18 21.93 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-O 121.078 0.466 . . . . 15.0 110.62 175.605 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 446' ' ' TYR . . . . . 0.444 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 55.0 p90 -139.31 145.11 38.69 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.508 -0.769 . . . . 15.0 109.25 -179.717 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -102.79 120.37 40.46 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.458 0.647 . . . . 15.0 111.02 -173.563 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 39.9 t80 -110.04 122.13 46.88 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.034 -0.985 . . . . 15.0 110.33 -179.501 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.671 ' HB3' ' OG1' ' A' ' 452' ' ' THR . 23.3 t-20 -89.93 128.03 36.14 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.868 -0.79 . . . . 15.0 108.868 173.752 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 44.8 m-80 -73.18 -43.32 61.61 Favored 'General case' 0 C--N 1.314 -0.938 0 N-CA-C 112.472 0.545 . . . . 15.0 112.472 -175.173 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 65.0 mtm180 -90.18 -1.9 58.0 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 118.61 -1.236 . . . . 15.0 112.416 -172.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 452' ' ' THR . . . . . 0.671 ' OG1' ' HB3' ' A' ' 449' ' ' ASN . 68.9 p -91.55 -40.31 11.43 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.486 0.66 . . . . 15.0 109.718 159.47 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 453' ' ' ASP . . . . . . . . . . . . . 33.1 t70 75.52 37.46 0.43 Allowed 'General case' 0 C--N 1.344 0.335 0 CA-C-N 113.455 -1.702 . . . . 15.0 109.551 -172.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 454' ' ' GLU . . . . . 0.611 ' HG2' ' OG1' ' A' ' 452' ' ' THR . 14.0 pt-20 -117.96 137.5 52.8 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.885 -0.598 . . . . 15.0 111.015 178.535 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 17.0 p -112.22 118.66 35.92 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.963 -0.562 . . . . 15.0 110.078 176.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 9.0 t -130.4 150.06 51.79 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.983 0.42 . . . . 15.0 111.145 -176.166 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.541 ' HZ3' ' HB3' ' A' ' 444' ' ' LYS . 56.8 m95 -90.58 -2.22 57.88 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.279 0.561 . . . . 15.0 109.643 177.664 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -93.67 141.01 28.97 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.307 -0.861 . . . . 15.0 109.399 -176.012 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 459' ' ' LYS . . . . . 0.74 ' HD3' ' HA ' ' A' ' 464' ' ' LYS . 19.9 ttmm -75.69 119.02 75.21 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-O 120.968 0.413 . . . . 15.0 111.934 -173.431 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 459' ' ' LYS . 15.7 Cg_exo -69.1 149.3 70.95 Favored 'Trans proline' 0 C--N 1.343 0.258 0 C-N-CA 123.021 2.481 . . . . 15.0 111.306 175.242 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 59.3 tp60 -61.26 -32.46 72.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.52 -0.309 . . . . 15.0 111.525 -177.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -73.05 -11.77 60.67 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.996 0.427 . . . . 15.0 111.06 178.608 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.856 HD13 HG11 ' A' ' 432' ' ' VAL . 22.1 tp -119.99 22.54 11.44 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.137 0.494 . . . . 15.0 109.892 -179.036 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 464' ' ' LYS . . . . . 0.74 ' HA ' ' HD3' ' A' ' 459' ' ' LYS . 51.4 tptt . . . . . 0 C--O 1.251 1.155 0 CA-C-N 115.599 -0.728 . . . . 15.0 110.674 177.584 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.505 0 N-CA-C 112.74 -0.144 . . . . 15.0 112.74 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 429' ' ' ALA . . . . . 0.414 ' O ' HD12 ' A' ' 463' ' ' LEU . . . -148.23 163.11 38.01 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.109 -0.7 . . . . 15.0 109.109 176.424 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 25.3 m -59.59 119.72 8.08 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.852 0.358 . . . . 15.0 110.573 -179.582 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 431' ' ' ALA . . . . . 0.49 ' O ' ' HG2' ' A' ' 434' ' ' GLU . . . -78.83 67.38 4.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.969 -0.56 . . . . 15.0 111.81 -175.714 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 2.7 t 43.45 39.01 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 CA-C-O 122.619 1.199 . . . . 15.0 112.123 175.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 23.0 t 43.87 19.39 0.02 OUTLIER 'General case' 0 C--N 1.308 -1.198 0 CA-C-N 112.754 -2.021 . . . . 15.0 114.183 -176.711 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 434' ' ' GLU . . . . . 0.49 ' HG2' ' O ' ' A' ' 431' ' ' ALA . 13.5 pt-20 -90.46 -24.55 20.68 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-O 121.101 0.477 . . . . 15.0 110.746 179.624 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.426 ' HB2' ' HB3' ' A' ' 431' ' ' ALA . 94.0 m95 -107.02 124.19 49.28 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.518 -0.765 . . . . 15.0 109.837 175.325 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 2.8 m -122.22 144.68 48.82 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.217 -0.66 . . . . 15.0 109.217 174.282 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -95.77 150.11 20.76 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 121.48 0.657 . . . . 15.0 109.362 178.276 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -137.24 150.12 47.63 Favored 'General case' 0 C--N 1.305 -1.342 0 CA-C-N 114.702 -1.136 . . . . 15.0 108.129 178.465 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 0.935 ' HD2' ' H ' ' A' ' 444' ' ' LYS . 0.1 OUTLIER -119.25 136.18 54.34 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.007 0.432 . . . . 15.0 111.618 -173.585 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 440' ' ' THR . . . . . 0.56 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 21.9 p -89.81 150.27 22.32 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.671 -0.695 . . . . 15.0 109.462 172.041 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -58.12 -14.96 7.86 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 113.572 0.953 . . . . 15.0 113.572 -172.785 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -89.78 0.63 56.89 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 122.078 -0.389 . . . . 15.0 111.481 -179.307 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.91 73.58 1.27 Allowed Glycine 0 C--O 1.23 -0.112 0 C-N-CA 120.757 -0.735 . . . . 15.0 112.383 177.09 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.935 ' H ' ' HD2' ' A' ' 439' ' ' LYS . 37.9 mttp -154.99 129.45 9.1 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 115.641 1.719 . . . . 15.0 115.641 -176.379 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 5.4 p -90.21 138.22 31.7 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 115.642 -0.708 . . . . 15.0 111.615 176.34 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 50.8 p90 -146.22 138.67 25.32 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 108.666 -0.864 . . . . 15.0 108.666 170.792 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 53.9 m-85 -105.26 126.31 51.96 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.376 0.607 . . . . 15.0 111.393 -170.122 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 448' ' ' TYR . . . . . 0.731 ' CD2' ' HB3' ' A' ' 455' ' ' SER . 19.0 t80 -111.92 124.43 52.35 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.024 -0.989 . . . . 15.0 109.734 -177.204 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.693 ' HB3' ' OG1' ' A' ' 452' ' ' THR . 20.4 t-20 -96.79 125.71 41.43 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 108.496 -0.927 . . . . 15.0 108.496 174.43 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 59.5 m-80 -74.6 -43.2 56.71 Favored 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 112.551 0.575 . . . . 15.0 112.551 -172.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 61.5 mtm180 -89.84 -2.05 58.12 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 118.994 -1.082 . . . . 15.0 112.604 -173.631 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 452' ' ' THR . . . . . 0.693 ' OG1' ' HB3' ' A' ' 449' ' ' ASN . 77.2 p -91.16 -35.37 14.59 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.503 0.668 . . . . 15.0 109.207 159.211 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 453' ' ' ASP . . . . . . . . . . . . . 35.5 t70 76.17 25.14 1.07 Allowed 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 113.363 -1.744 . . . . 15.0 110.011 -175.186 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 454' ' ' GLU . . . . . 0.645 ' HG2' ' OG1' ' A' ' 452' ' ' THR . 10.5 pt-20 -114.35 144.94 42.46 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.164 0.507 . . . . 15.0 111.18 -177.443 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 455' ' ' SER . . . . . 0.731 ' HB3' ' CD2' ' A' ' 448' ' ' TYR . 22.1 p -117.05 126.87 53.52 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.796 -0.638 . . . . 15.0 110.278 176.843 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 12.5 t -128.02 150.08 50.08 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.017 0.437 . . . . 15.0 110.688 -179.598 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.447 ' HZ3' ' HB3' ' A' ' 444' ' ' LYS . 74.9 m95 -92.39 -1.43 57.03 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.317 0.58 . . . . 15.0 110.152 178.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -90.57 148.42 22.7 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.574 -0.739 . . . . 15.0 109.651 178.523 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 59.8 tttp -80.81 114.54 49.1 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-N 116.559 -0.291 . . . . 15.0 110.232 -179.234 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_exo -59.57 148.63 86.52 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 123.668 2.912 . . . . 15.0 113.033 -176.37 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 461' ' ' GLN . . . . . 0.48 ' HA ' ' HB2' ' A' ' 464' ' ' LYS . 9.5 mm100 -63.52 -30.68 71.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.833 -0.621 . . . . 15.0 111.693 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -78.6 -6.73 56.4 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.128 0.49 . . . . 15.0 110.825 178.645 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.434 ' HG ' ' O ' ' A' ' 463' ' ' LEU . 34.4 tp -120.0 9.65 11.27 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.694 -0.684 . . . . 15.0 109.317 178.171 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 464' ' ' LYS . . . . . 0.48 ' HB2' ' HA ' ' A' ' 461' ' ' GLN . 16.3 tptp . . . . . 0 C--O 1.248 1.002 0 CA-C-N 115.627 -0.715 . . . . 15.0 111.342 -171.349 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.849 0 N-CA-C 112.065 -0.414 . . . . 15.0 112.065 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 429' ' ' ALA . . . . . 0.501 ' HA ' ' HB2' ' A' ' 437' ' ' GLU . . . -157.81 90.72 1.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.923 0.392 . . . . 15.0 110.193 176.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 2.3 m -97.96 134.5 40.99 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.278 -0.419 . . . . 15.0 110.787 -178.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -97.22 80.81 2.95 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.669 -0.493 . . . . 15.0 109.669 172.824 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 2.9 p -87.83 91.78 3.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.506 0.67 . . . . 15.0 110.327 -179.322 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 5.2 m 56.62 -134.46 1.29 Allowed 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.453 -0.794 . . . . 15.0 110.521 179.555 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 434' ' ' GLU . . . . . 0.479 ' O ' ' HA ' ' A' ' 449' ' ' ASN . 56.9 mm-40 -50.33 -32.31 16.82 Favored 'General case' 0 C--N 1.306 -1.292 0 CA-C-N 114.994 -1.003 . . . . 15.0 113.35 178.777 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.427 ' CD2' ' HB2' ' A' ' 449' ' ' ASN . 79.0 m95 -101.64 126.95 48.56 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.981 0.42 . . . . 15.0 111.378 -172.3 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 6.4 m -118.77 148.0 43.29 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.299 -0.41 . . . . 15.0 110.026 176.002 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 437' ' ' GLU . . . . . 0.501 ' HB2' ' HA ' ' A' ' 429' ' ' ALA . 46.3 mt-10 -91.63 132.81 36.07 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.44 -0.345 . . . . 15.0 111.32 -179.279 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 438' ' ' TYR . . . . . 0.484 ' O ' ' HA ' ' A' ' 445' ' ' THR . 87.9 m-85 -129.6 128.65 43.11 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.342 -0.614 . . . . 15.0 109.342 172.887 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 0.783 ' HD3' ' C ' ' A' ' 444' ' ' LYS . 4.4 tppp? -96.64 131.75 42.98 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.139 0.495 . . . . 15.0 111.041 -174.116 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 9.0 p -89.93 150.55 22.12 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.686 -0.688 . . . . 15.0 109.381 174.639 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -53.66 -16.06 1.47 Allowed 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 113.931 1.085 . . . . 15.0 113.931 -171.738 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 442' ' ' ASP . . . . . 0.447 ' OD2' ' HE2' ' A' ' 444' ' ' LYS . 9.3 p-10 -81.15 0.75 34.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.201 0.524 . . . . 15.0 110.257 177.72 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 443' ' ' GLY . . . . . 0.48 ' C ' ' HD2' ' A' ' 439' ' ' LYS . . . 90.24 40.12 5.86 Favored Glycine 0 N--CA 1.449 -0.498 0 CA-C-N 115.574 -0.739 . . . . 15.0 114.323 170.303 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.783 ' C ' ' HD3' ' A' ' 439' ' ' LYS . 35.0 mtmt -148.69 150.76 33.74 Favored 'General case' 0 N--CA 1.468 0.475 0 N-CA-C 113.239 0.829 . . . . 15.0 113.239 173.472 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 445' ' ' THR . . . . . 0.504 ' N ' ' HD3' ' A' ' 439' ' ' LYS . 2.0 p -97.33 141.97 29.77 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.497 -0.774 . . . . 15.0 112.237 -178.752 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 53.3 p90 -111.5 143.62 42.06 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.759 -0.83 . . . . 15.0 108.759 169.788 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 447' ' ' TYR . . . . . 0.441 ' CE1' ' HG2' ' A' ' 437' ' ' GLU . 42.3 m-85 -90.01 118.25 29.42 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.894 0.378 . . . . 15.0 110.646 -174.566 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 32.9 t80 -114.12 119.56 37.53 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.596 -0.729 . . . . 15.0 110.452 -175.476 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.571 ' HB3' ' OG1' ' A' ' 452' ' ' THR . 35.0 t-20 -94.5 133.62 37.92 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.697 -0.853 . . . . 15.0 108.697 175.388 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 50.7 m-80 -73.45 -53.94 9.47 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 112.964 0.727 . . . . 15.0 112.964 -174.721 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 38.8 mtm180 -90.17 -1.01 57.89 Favored 'General case' 0 N--CA 1.462 0.131 0 C-N-CA 118.729 -1.189 . . . . 15.0 112.469 -171.816 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 452' ' ' THR . . . . . 0.579 ' OG1' ' HG2' ' A' ' 454' ' ' GLU . 71.4 p -91.14 -36.98 13.66 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.725 -0.843 . . . . 15.0 108.725 159.083 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 453' ' ' ASP . . . . . . . . . . . . . 13.5 t70 68.47 45.95 1.08 Allowed 'General case' 0 C--N 1.338 0.099 0 CA-C-N 113.76 -1.564 . . . . 15.0 110.025 -178.163 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 454' ' ' GLU . . . . . 0.579 ' HG2' ' OG1' ' A' ' 452' ' ' THR . 13.1 pt-20 -129.88 144.82 51.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.523 -0.762 . . . . 15.0 110.747 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 48.5 p -112.18 123.54 50.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.972 -0.558 . . . . 15.0 110.544 178.479 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 10.0 t -119.86 150.11 40.98 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.084 0.469 . . . . 15.0 110.313 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 88.1 m95 -100.54 -1.44 35.57 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.967 -0.56 . . . . 15.0 110.377 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -109.82 150.84 27.79 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.828 -0.624 . . . . 15.0 109.364 175.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -59.24 130.18 86.93 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.345 0.593 . . . . 15.0 112.599 -175.222 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -61.09 150.25 85.22 Favored 'Trans proline' 0 C--O 1.234 0.281 0 C-N-CA 123.56 2.84 . . . . 15.0 111.969 174.669 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 461' ' ' GLN . . . . . 0.492 ' OE1' ' HE3' ' A' ' 464' ' ' LYS . 18.6 mm-40 -56.07 -32.55 64.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 15.0 111.66 -177.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -80.41 -10.16 59.75 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.321 -0.4 . . . . 15.0 111.835 -179.416 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 29.5 tp -106.17 0.2 25.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.121 0.486 . . . . 15.0 110.666 -177.186 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 464' ' ' LYS . . . . . 0.492 ' HE3' ' OE1' ' A' ' 461' ' ' GLN . 2.2 pptp? . . . . . 0 C--O 1.248 0.983 0 CA-C-O 118.463 -0.78 . . . . 15.0 110.037 178.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 . . . . . 0 CA--C 1.536 0.438 0 N-CA-C 113.357 0.873 . . . . 15.0 113.357 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 92.5 m95 -100.35 128.96 46.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.907 0.384 . . . . 15.0 111.051 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 4.0 m -144.24 145.44 32.05 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 109.388 -0.597 . . . . 15.0 109.388 172.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . 0.549 ' HB3' ' CD1' ' A' ' 447' ' ' TYR . 1.4 pm0 -122.41 144.05 49.29 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.254 0.549 . . . . 15.0 111.321 -179.304 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . 0.421 ' O ' ' HA ' ' A' ' 445' ' ' THR . 58.2 m-85 -124.91 141.58 52.03 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.517 -0.765 . . . . 15.0 108.984 176.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 0.795 ' HD3' ' C ' ' A' ' 444' ' ' LYS . 5.2 tppp? -89.94 128.96 36.34 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.096 0.474 . . . . 15.0 110.016 179.344 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 26.8 p -89.64 150.71 22.25 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.464 -0.789 . . . . 15.0 109.896 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -44.89 -29.89 0.9 Allowed 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 113.622 0.971 . . . . 15.0 113.622 -176.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -73.96 -0.44 16.21 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 120.956 0.407 . . . . 15.0 111.099 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . 0.485 ' C ' ' HD2' ' A' ' 439' ' ' LYS . . . 90.24 37.61 6.62 Favored Glycine 0 N--CA 1.445 -0.712 0 CA-C-N 115.872 -0.604 . . . . 15.0 113.959 171.456 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.795 ' C ' ' HD3' ' A' ' 439' ' ' LYS . 39.0 mttp -148.06 150.69 34.38 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 113.2 0.815 . . . . 15.0 113.2 176.527 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . 0.499 ' N ' ' HD3' ' A' ' 439' ' ' LYS . 1.3 p -93.09 141.19 28.69 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.613 -0.721 . . . . 15.0 112.16 -179.206 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 44.4 p90 -113.99 133.49 55.46 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.018 -0.734 . . . . 15.0 109.018 170.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . 0.549 ' CD1' ' HB3' ' A' ' 437' ' ' GLU . 55.3 m-85 -97.15 116.85 30.11 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.321 -0.854 . . . . 15.0 110.345 -172.759 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -110.62 123.67 50.42 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.216 -0.902 . . . . 15.0 110.183 -173.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.548 ' HB3' ' OG1' ' A' ' 452' ' ' THR . 23.8 t-20 -99.49 125.38 45.22 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 108.492 -0.929 . . . . 15.0 108.492 171.75 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 45.8 m-80 -74.62 -45.08 47.31 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 113.134 0.79 . . . . 15.0 113.134 -171.307 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 15.2 mtm180 -90.31 -1.76 57.95 Favored 'General case' 0 C--N 1.333 -0.138 0 C-N-CA 118.249 -1.38 . . . . 15.0 112.334 -173.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . 0.548 ' OG1' ' HB3' ' A' ' 449' ' ' ASN . 69.2 p -91.46 -36.54 13.7 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.268 -0.641 . . . . 15.0 109.268 158.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 453' ' ' ASP . . . . . . . . . . . . . 32.4 t70 78.57 20.94 0.81 Allowed 'General case' 0 C--N 1.343 0.317 0 CA-C-N 113.71 -1.586 . . . . 15.0 109.804 -174.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -94.54 149.93 20.75 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.158 -0.474 . . . . 15.0 110.786 -175.077 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 13.0 m -124.62 116.14 21.93 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.001 -0.545 . . . . 15.0 109.932 176.065 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 11.2 t -127.49 149.94 49.89 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.413 -0.358 . . . . 15.0 110.241 -177.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 81.3 m95 -94.29 6.5 48.47 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.03 0.443 . . . . 15.0 110.784 -177.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -102.92 140.11 37.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.968 -0.56 . . . . 15.0 109.917 176.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . 1.016 ' HE3' ' HG ' ' A' ' 463' ' ' LEU . 45.0 tptt -69.78 119.0 68.46 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 115.716 -0.675 . . . . 15.0 110.29 -177.583 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . 0.67 ' HG2' ' HB3' ' A' ' 463' ' ' LEU . 5.7 Cg_endo -51.92 143.96 37.78 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 123.4 2.733 . . . . 15.0 112.245 176.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 461' ' ' GLN . . . . . 0.438 ' H ' ' HG3' ' A' ' 461' ' ' GLN . 1.1 pp0? -74.19 -10.46 59.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.991 0.424 . . . . 15.0 112.116 -176.508 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -86.3 -11.22 52.81 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.207 0.527 . . . . 15.0 110.409 171.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . 1.016 ' HG ' ' HE3' ' A' ' 459' ' ' LYS . 29.5 tp -119.98 0.34 10.76 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.532 -0.758 . . . . 15.0 110.323 -175.773 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . 0.454 ' CE ' ' HB3' ' A' ' 459' ' ' LYS . 40.5 ttmt . . . . . 0 C--O 1.25 1.122 0 CA-C-O 118.338 -0.839 . . . . 15.0 109.91 -178.291 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 . . . . . 0 N--CA 1.45 -0.438 0 CA-C-O 121.054 0.454 . . . . 15.0 110.483 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 70.2 m95 -94.26 118.42 31.56 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.572 -0.74 . . . . 15.0 109.567 176.316 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 2.6 m -115.35 144.91 43.07 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 116.259 -0.428 . . . . 15.0 110.523 -177.199 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -96.01 132.3 41.5 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.076 0.465 . . . . 15.0 110.756 -179.061 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . 0.509 ' O ' ' HA ' ' A' ' 445' ' ' THR . 94.1 m-85 -129.88 131.81 46.2 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.591 -0.731 . . . . 15.0 109.233 173.624 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 0.795 ' HD3' ' C ' ' A' ' 444' ' ' LYS . 4.2 tppp? -92.15 130.53 37.85 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.186 0.517 . . . . 15.0 110.811 -174.775 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 8.2 p -89.62 150.79 22.22 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.19 -0.914 . . . . 15.0 109.822 178.612 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -46.34 -26.34 0.81 Allowed 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 113.649 0.981 . . . . 15.0 113.649 -175.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . 0.418 ' OD2' ' HG2' ' A' ' 444' ' ' LYS . 1.5 p-10 -75.06 -5.23 43.0 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 121.243 0.544 . . . . 15.0 110.529 179.008 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . 0.571 ' O ' ' HD3' ' A' ' 444' ' ' LYS . . . 90.26 41.28 5.55 Favored Glycine 0 N--CA 1.444 -0.807 0 CA-C-N 115.573 -0.74 . . . . 15.0 114.291 174.241 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.795 ' C ' ' HD3' ' A' ' 439' ' ' LYS . 34.2 mmtm -141.8 150.51 41.77 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 118.013 0.906 . . . . 15.0 112.489 172.191 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . 0.537 ' N ' ' HD3' ' A' ' 439' ' ' LYS . 22.2 p -92.78 135.22 34.31 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 121.116 0.484 . . . . 15.0 111.508 177.114 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 55.5 p90 -103.72 147.67 26.98 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 108.695 -0.854 . . . . 15.0 108.695 172.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . 0.402 ' CE2' ' HG3' ' A' ' 459' ' ' LYS . 29.1 m-85 -94.64 112.17 23.92 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 121.45 0.643 . . . . 15.0 110.404 -174.47 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . 0.405 ' CE1' ' HA ' ' A' ' 453' ' ' ASP . 52.8 t80 -107.71 122.04 45.92 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.134 -0.939 . . . . 15.0 110.967 -176.639 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.578 ' HB3' ' OG1' ' A' ' 452' ' ' THR . 26.6 t-20 -92.16 137.08 32.66 Favored 'General case' 0 CA--C 1.513 -0.468 0 N-CA-C 109.153 -0.684 . . . . 15.0 109.153 173.256 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 25.8 m-80 -77.11 -45.93 25.27 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 113.258 0.836 . . . . 15.0 113.258 -173.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 33.5 mtm105 -90.26 -1.72 57.95 Favored 'General case' 0 C--O 1.233 0.194 0 C-N-CA 118.239 -1.384 . . . . 15.0 112.142 -172.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . 0.578 ' OG1' ' HB3' ' A' ' 449' ' ' ASN . 45.3 p -91.83 -39.12 11.94 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.351 0.595 . . . . 15.0 110.231 159.177 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 453' ' ' ASP . . . . . 0.405 ' HA ' ' CE1' ' A' ' 448' ' ' TYR . 32.9 t70 69.44 37.9 1.91 Allowed 'General case' 0 C--N 1.341 0.204 0 CA-C-N 113.979 -1.464 . . . . 15.0 108.736 -169.138 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -100.17 147.32 25.83 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.666 -0.697 . . . . 15.0 110.815 -176.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 35.1 t -119.01 110.57 17.26 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.962 -0.563 . . . . 15.0 109.731 175.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 14.8 t -137.63 150.06 47.1 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.216 -0.447 . . . . 15.0 110.016 -178.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 69.8 m95 -98.12 9.77 42.1 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.19 0.519 . . . . 15.0 110.118 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -101.12 121.18 41.35 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.194 -1.039 . . . . 15.0 108.194 -177.347 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . 0.52 ' HA ' ' HD2' ' A' ' 460' ' ' PRO . 28.8 mttm -58.42 120.53 45.22 Favored Pre-proline 0 N--CA 1.465 0.286 0 N-CA-C 113.321 0.859 . . . . 15.0 113.321 -173.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . 0.858 ' HG2' ' HB3' ' A' ' 463' ' ' LEU . 19.5 Cg_endo -59.59 150.15 77.96 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 123.35 2.7 . . . . 15.0 111.328 171.182 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -61.93 -12.7 19.41 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.657 0.614 . . . . 15.0 112.657 -176.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -96.72 -21.68 17.43 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.773 0.321 . . . . 15.0 111.165 178.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . 0.858 ' HB3' ' HG2' ' A' ' 460' ' ' PRO . 35.8 tp -120.22 21.96 11.55 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.146 0.498 . . . . 15.0 110.339 -174.588 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . 0.512 ' HA ' ' HD3' ' A' ' 459' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.934 0 CA-C-O 118.355 -0.831 . . . . 15.0 111.629 -176.669 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 . . . . . 0 C--O 1.236 0.377 0 CA-C-O 121.295 0.569 . . . . 15.0 109.912 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 86.9 m95 -99.41 139.62 34.8 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.076 -0.965 . . . . 15.0 109.786 178.234 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 2.7 m -128.88 144.48 51.19 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 109.93 -0.396 . . . . 15.0 109.93 177.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -103.93 118.7 37.3 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.603 -0.517 . . . . 15.0 109.603 -178.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 -114.19 140.64 48.37 Favored 'General case' 0 C--N 1.31 -1.143 0 CA-C-N 115.841 -0.618 . . . . 15.0 110.282 -179.172 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 0.844 ' HD2' ' N ' ' A' ' 444' ' ' LYS . 3.8 tppp? -101.5 133.08 46.7 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.873 0.368 . . . . 15.0 110.225 176.624 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . 0.462 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 23.9 p -89.63 150.26 22.45 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.072 -0.513 . . . . 15.0 109.877 175.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -50.82 -28.28 9.08 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 113.256 0.836 . . . . 15.0 113.256 -175.253 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -82.43 3.8 26.69 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.699 0.285 . . . . 15.0 111.31 -176.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.21 65.09 1.22 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 121.187 -0.53 . . . . 15.0 112.925 174.036 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.844 ' N ' ' HD2' ' A' ' 439' ' ' LYS . 44.8 mttt -156.02 131.54 9.58 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 114.757 1.392 . . . . 15.0 114.757 -178.063 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . 0.617 HG23 ' HE3' ' A' ' 439' ' ' LYS . 0.4 OUTLIER -97.4 144.09 27.49 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-O 120.683 0.278 . . . . 15.0 111.028 176.923 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 25.4 p90 -146.99 150.13 34.52 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.208 -0.664 . . . . 15.0 109.208 -179.63 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 74.8 m-85 -103.86 120.31 40.72 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.445 0.64 . . . . 15.0 111.235 -173.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . 0.46 ' CE1' ' HA ' ' A' ' 453' ' ' ASP . 48.0 t80 -112.61 123.78 51.07 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.046 -0.979 . . . . 15.0 110.321 -178.618 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.674 ' HB3' ' OG1' ' A' ' 452' ' ' THR . 23.7 t-20 -89.84 126.61 35.76 Favored 'General case' 0 CA--C 1.507 -0.691 0 N-CA-C 108.641 -0.874 . . . . 15.0 108.641 173.213 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 -71.99 -42.95 65.85 Favored 'General case' 0 C--N 1.314 -0.974 0 N-CA-C 112.491 0.552 . . . . 15.0 112.491 -173.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 49.0 mtm180 -90.49 -1.74 57.9 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 118.515 -1.274 . . . . 15.0 112.53 -173.332 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . 0.674 ' OG1' ' HB3' ' A' ' 449' ' ' ASN . 44.1 p -91.82 -40.25 11.31 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.383 0.611 . . . . 15.0 109.687 159.761 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 453' ' ' ASP . . . . . 0.46 ' HA ' ' CE1' ' A' ' 448' ' ' TYR . 31.6 t70 72.74 34.4 1.18 Allowed 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 113.49 -1.686 . . . . 15.0 109.189 -168.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . 0.574 ' HG2' ' OG1' ' A' ' 452' ' ' THR . 9.9 pt-20 -111.06 136.73 49.65 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.944 -0.571 . . . . 15.0 110.742 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 14.1 p -106.84 127.37 53.35 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.917 -0.583 . . . . 15.0 110.334 178.168 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 14.4 t -135.2 150.06 50.04 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.063 0.459 . . . . 15.0 110.85 -178.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 75.0 m95 -89.75 -1.94 58.13 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.129 0.49 . . . . 15.0 110.205 177.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -84.39 141.25 30.99 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.437 -0.801 . . . . 15.0 109.234 173.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . 0.51 ' HE2' ' O ' ' A' ' 463' ' ' LEU . 75.0 tttt -85.87 120.28 72.57 Favored Pre-proline 0 C--N 1.318 -0.763 0 N-CA-C 110.0 -0.37 . . . . 15.0 110.0 -177.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . 0.44 ' HD2' ' HA ' ' A' ' 459' ' ' LYS . 10.5 Cg_endo -54.07 141.55 68.34 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.927 2.418 . . . . 15.0 111.318 178.55 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 461' ' ' GLN . . . . . 0.533 ' HA ' ' HB2' ' A' ' 464' ' ' LYS . 76.0 mt-30 -68.45 -16.86 64.05 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.768 0.318 . . . . 15.0 111.366 -175.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . 0.503 ' OE2' ' HB2' ' A' ' 463' ' ' LEU . 0.1 OUTLIER -84.19 -16.2 44.25 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.249 -0.432 . . . . 15.0 111.088 179.639 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . 0.51 ' O ' ' HE2' ' A' ' 459' ' ' LYS . 18.7 tp -120.04 0.33 10.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.007 -0.542 . . . . 15.0 110.386 177.654 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . 0.533 ' HB2' ' HA ' ' A' ' 461' ' ' GLN . 3.7 tttp . . . . . 0 C--O 1.244 0.801 0 CA-C-O 118.441 -0.79 . . . . 15.0 111.118 -175.461 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 434' ' ' GLU . . . . . 0.455 ' O ' ' HA ' ' A' ' 449' ' ' ASN . 1.3 pm0 . . . . . 0 N--CA 1.466 0.362 0 N-CA-C 112.478 0.547 . . . . 15.0 112.478 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.446 ' CE3' ' HG3' ' A' ' 460' ' ' PRO . 93.8 m95 -95.78 102.11 13.87 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.371 0.605 . . . . 15.0 110.223 179.112 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 4.0 m -105.24 146.95 28.6 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.7 -0.682 . . . . 15.0 110.401 -177.223 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . 0.588 ' HG3' HD21 ' A' ' 463' ' ' LEU . 47.9 mt-10 -108.92 122.74 47.86 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.011 -0.541 . . . . 15.0 110.862 -179.375 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . 0.495 ' O ' ' HA ' ' A' ' 445' ' ' THR . 98.0 m-85 -117.62 135.26 54.1 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.409 -0.814 . . . . 15.0 109.026 176.347 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 0.677 ' HD3' ' C ' ' A' ' 444' ' ' LYS . 0.0 OUTLIER -89.71 128.1 36.05 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.321 0.582 . . . . 15.0 110.227 -176.263 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 19.7 p -89.84 150.45 22.23 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.263 -0.881 . . . . 15.0 109.428 177.542 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -51.66 -18.33 1.15 Allowed 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 113.483 0.92 . . . . 15.0 113.483 -175.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -84.12 5.28 26.73 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-O 121.188 0.518 . . . . 15.0 110.826 177.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . 0.513 ' O ' ' HG3' ' A' ' 444' ' ' LYS . . . 90.36 37.08 6.74 Favored Glycine 0 N--CA 1.452 -0.267 0 N-CA-C 115.97 1.148 . . . . 15.0 115.97 164.757 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.677 ' C ' ' HD3' ' A' ' 439' ' ' LYS . 2.5 mptt -153.39 166.97 30.96 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 117.522 0.661 . . . . 15.0 111.424 169.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . 0.495 ' HA ' ' O ' ' A' ' 438' ' ' TYR . 15.2 p -95.26 139.09 32.07 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.792 -0.64 . . . . 15.0 111.343 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . 0.466 ' CE1' ' HB2' ' A' ' 438' ' ' TYR . 31.8 p90 -106.4 142.38 36.16 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.803 -0.814 . . . . 15.0 108.803 173.46 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . 0.458 ' CZ ' ' HG3' ' A' ' 459' ' ' LYS . 38.4 m-85 -91.97 116.92 29.33 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 121.245 0.545 . . . . 15.0 110.802 -169.596 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . 0.522 ' HD1' ' HB3' ' A' ' 455' ' ' SER . 31.8 t80 -124.85 121.8 35.57 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.394 -0.821 . . . . 15.0 110.631 -172.348 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.625 ' HB3' ' OG1' ' A' ' 452' ' ' THR . 41.5 t-20 -93.15 123.62 36.54 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 108.128 -1.064 . . . . 15.0 108.128 173.294 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 54.2 m-80 -74.36 -42.36 59.47 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 112.695 0.628 . . . . 15.0 112.695 -171.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 39.8 mtm-85 -90.24 -1.71 57.96 Favored 'General case' 0 C--N 1.333 -0.114 0 C-N-CA 118.073 -1.451 . . . . 15.0 112.24 -174.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . 0.625 ' OG1' ' HB3' ' A' ' 449' ' ' ASN . 76.2 p -91.63 -37.43 13.07 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.282 0.563 . . . . 15.0 109.484 159.423 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 453' ' ' ASP . . . . . . . . . . . . . 19.2 t70 78.09 24.65 0.67 Allowed 'General case' 0 C--N 1.343 0.301 0 CA-C-N 113.653 -1.612 . . . . 15.0 109.843 -175.01 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -97.73 147.51 24.29 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 121.019 0.437 . . . . 15.0 110.91 -176.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . 0.522 ' HB3' ' HD1' ' A' ' 448' ' ' TYR . 9.1 p -123.16 123.05 39.93 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.873 -0.603 . . . . 15.0 110.282 178.83 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 9.7 t -135.74 150.18 49.43 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.196 -0.456 . . . . 15.0 110.261 -178.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 91.2 m95 -95.99 1.75 52.95 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.379 0.609 . . . . 15.0 109.793 176.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -93.56 120.47 33.87 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.152 -0.931 . . . . 15.0 109.485 177.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . 0.458 ' HG3' ' CZ ' ' A' ' 447' ' ' TYR . 19.2 tttm -68.02 113.33 14.26 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.566 -0.288 . . . . 15.0 111.062 -173.173 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . 1.055 ' HG2' ' HB3' ' A' ' 463' ' ' LEU . 1.5 Cg_endo -50.0 149.98 10.75 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 124.039 3.159 . . . . 15.0 113.309 178.679 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -60.57 -31.17 70.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 15.0 111.354 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -81.85 -18.03 45.3 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.125 -0.489 . . . . 15.0 111.21 179.222 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . 1.055 ' HB3' ' HG2' ' A' ' 460' ' ' PRO . 48.4 tp -120.12 28.74 7.89 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.982 -0.553 . . . . 15.0 110.073 -176.04 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 24.3 mmtm . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.282 -0.866 . . . . 15.0 110.695 177.487 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 . . . . . 0 C--O 1.235 0.298 0 CA-C-O 121.213 0.53 . . . . 15.0 109.731 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 58.8 m95 -102.27 118.62 37.26 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.276 -0.875 . . . . 15.0 109.762 176.37 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 10.3 m -101.02 148.4 25.09 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.935 -0.394 . . . . 15.0 109.935 179.446 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . 0.466 ' HB3' HG21 ' A' ' 445' ' ' THR . 44.2 mt-10 -102.22 128.22 48.84 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.209 0.528 . . . . 15.0 111.094 -179.531 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . 0.461 ' O ' ' HA ' ' A' ' 445' ' ' THR . 85.7 m-85 -123.6 125.37 44.72 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.616 -0.72 . . . . 15.0 109.304 173.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 0.811 ' HD3' ' C ' ' A' ' 444' ' ' LYS . 4.0 tppp? -89.91 131.95 35.56 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.154 0.502 . . . . 15.0 110.867 -175.615 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 20.3 p -89.9 150.56 22.14 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.327 -0.851 . . . . 15.0 109.734 176.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -46.03 -31.67 2.41 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 113.191 0.811 . . . . 15.0 113.191 -177.282 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -77.82 3.5 14.16 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 121.026 0.441 . . . . 15.0 111.219 -178.525 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.23 41.44 5.52 Favored Glycine 0 CA--C 1.519 0.33 0 N-CA-C 115.521 0.968 . . . . 15.0 115.521 166.079 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.811 ' C ' ' HD3' ' A' ' 439' ' ' LYS . 8.0 mptt -150.36 155.93 40.55 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 117.839 0.819 . . . . 15.0 112.048 170.625 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . 0.628 HG23 ' HE3' ' A' ' 439' ' ' LYS . 6.6 p -94.47 137.66 33.34 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-O 121.268 0.556 . . . . 15.0 111.409 179.317 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 55.2 p90 -102.34 137.61 40.36 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 107.891 -1.152 . . . . 15.0 107.891 171.071 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 63.8 m-85 -89.84 113.09 24.62 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 121.639 0.733 . . . . 15.0 110.882 -171.073 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . 0.495 ' HA ' ' O ' ' A' ' 454' ' ' GLU . 52.3 t80 -108.49 123.97 49.71 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 114.666 -1.152 . . . . 15.0 110.687 -176.624 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.539 ' HB3' ' HG2' ' A' ' 454' ' ' GLU . 24.5 t-20 -89.79 132.12 35.39 Favored 'General case' 0 CA--C 1.507 -0.684 0 N-CA-C 108.773 -0.825 . . . . 15.0 108.773 174.625 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 41.8 m-80 -75.76 -50.14 16.12 Favored 'General case' 0 C--N 1.313 -0.998 0 N-CA-C 112.874 0.694 . . . . 15.0 112.874 -172.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 60.5 mtm180 -90.26 -1.66 57.95 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 118.56 -1.256 . . . . 15.0 112.721 -170.111 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . 0.439 ' OG1' ' HB3' ' A' ' 449' ' ' ASN . 46.1 p -91.59 -38.62 12.36 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.491 0.663 . . . . 15.0 110.169 158.204 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 453' ' ' ASP . . . . . . . . . . . . . 21.6 t70 66.91 75.04 0.32 Allowed 'General case' 0 N--CA 1.462 0.15 0 CA-C-N 113.822 -1.535 . . . . 15.0 109.622 -166.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . 0.539 ' HG2' ' HB3' ' A' ' 449' ' ' ASN . 14.4 pt-20 -144.57 150.15 37.01 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.323 -0.853 . . . . 15.0 109.855 -178.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 47.0 m -123.4 120.13 32.07 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.963 0.411 . . . . 15.0 111.009 179.184 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 15.4 t -128.48 149.96 50.36 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.177 -0.465 . . . . 15.0 109.952 179.265 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 91.8 m95 -96.14 6.05 49.69 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.863 0.363 . . . . 15.0 110.438 179.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -96.38 141.74 29.34 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.136 -0.69 . . . . 15.0 109.136 175.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . 0.47 ' HA ' ' HD2' ' A' ' 460' ' ' PRO . 49.2 tttp -83.28 118.74 72.51 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 116.524 -0.307 . . . . 15.0 111.577 -172.003 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . 0.47 ' HD2' ' HA ' ' A' ' 459' ' ' LYS . 15.0 Cg_endo -59.62 143.59 99.62 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 123.09 2.527 . . . . 15.0 112.022 177.561 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 461' ' ' GLN . . . . . 0.413 ' HA ' ' HB2' ' A' ' 464' ' ' LYS . 2.0 mp0 -63.19 -30.71 71.81 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.773 -0.649 . . . . 15.0 111.127 -177.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . 0.521 ' OE2' ' HB2' ' A' ' 463' ' ' LEU . 0.0 OUTLIER -70.3 -14.13 62.46 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.663 -0.698 . . . . 15.0 111.756 -179.668 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . 0.521 ' HB2' ' OE2' ' A' ' 462' ' ' GLU . 18.6 tp -120.18 9.32 11.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.004 0.43 . . . . 15.0 110.164 178.353 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . 0.413 ' HB2' ' HA ' ' A' ' 461' ' ' GLN . 1.8 ttpm? . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.246 -0.883 . . . . 15.0 110.981 -174.546 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 . . . . . 0 C--O 1.234 0.267 0 CA-C-O 121.078 0.466 . . . . 15.0 110.808 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 70.6 m95 -99.91 119.14 37.76 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.695 -0.684 . . . . 15.0 110.536 179.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 3.3 m -114.97 146.13 41.53 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.221 -0.659 . . . . 15.0 109.221 178.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -121.54 150.33 41.79 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.408 0.623 . . . . 15.0 110.711 -177.006 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . 0.443 ' O ' ' HA ' ' A' ' 445' ' ' THR . 84.4 m-85 -135.22 137.72 42.9 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 114.78 -1.1 . . . . 15.0 109.152 -178.771 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 0.81 ' HZ3' ' HB2' ' A' ' 439' ' ' LYS . 0.0 OUTLIER -89.98 127.02 35.95 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.216 0.531 . . . . 15.0 109.978 -179.599 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 16.8 p -89.62 150.63 22.29 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.111 -0.95 . . . . 15.0 110.119 -178.207 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -49.41 -20.53 0.71 Allowed 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 113.872 1.064 . . . . 15.0 113.872 -175.104 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -79.62 -0.83 35.4 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 121.139 0.495 . . . . 15.0 110.412 177.687 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . 0.527 ' C ' ' HD2' ' A' ' 439' ' ' LYS . . . 90.1 38.81 6.27 Favored Glycine 0 N--CA 1.447 -0.567 0 CA-C-N 115.64 -0.709 . . . . 15.0 114.417 171.353 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.697 ' C ' ' HD3' ' A' ' 439' ' ' LYS . 35.9 mttp -148.53 158.03 43.86 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 117.599 0.699 . . . . 15.0 112.728 174.448 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . 0.558 HG23 ' HZ3' ' A' ' 439' ' ' LYS . 1.0 OUTLIER -97.95 141.4 30.97 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.156 -0.474 . . . . 15.0 111.929 179.14 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 31.3 p90 -117.88 149.99 39.94 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 108.685 -0.857 . . . . 15.0 108.685 172.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -103.16 129.72 50.13 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 122.102 0.953 . . . . 15.0 111.704 -172.527 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . 0.526 ' HD2' ' HB3' ' A' ' 455' ' ' SER . 39.9 t80 -123.25 121.17 35.22 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 114.227 -1.351 . . . . 15.0 109.874 -173.628 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.489 ' HB3' ' HG2' ' A' ' 454' ' ' GLU . 24.8 t-20 -90.35 132.66 35.46 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 108.959 -0.756 . . . . 15.0 108.959 175.558 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 39.5 m-80 -76.89 -48.72 17.47 Favored 'General case' 0 C--N 1.313 -1.02 0 N-CA-C 113.027 0.751 . . . . 15.0 113.027 -173.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 58.3 mtm180 -90.01 -1.74 58.01 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 118.349 -1.34 . . . . 15.0 112.853 -171.203 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . 0.476 ' OG1' ' HG2' ' A' ' 454' ' ' GLU . 76.8 p -91.36 -35.89 14.15 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.42 -0.585 . . . . 15.0 109.42 157.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 453' ' ' ASP . . . . . . . . . . . . . 26.0 t70 76.74 27.29 0.77 Allowed 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 113.664 -1.607 . . . . 15.0 109.508 -175.366 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . 0.489 ' HG2' ' HB3' ' A' ' 449' ' ' ASN . 14.4 pt-20 -97.55 137.8 35.93 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 116.022 -0.535 . . . . 15.0 111.184 -176.629 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . 0.526 ' HB3' ' HD2' ' A' ' 448' ' ' TYR . 12.2 p -110.18 121.94 46.45 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.172 -0.467 . . . . 15.0 110.375 173.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 9.9 t -137.68 150.11 47.08 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.892 0.377 . . . . 15.0 110.386 -178.408 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 81.4 m95 -90.95 7.14 41.69 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.005 0.431 . . . . 15.0 110.691 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -92.73 142.66 27.1 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.06 -0.518 . . . . 15.0 109.905 175.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . 0.597 ' HE2' ' O ' ' A' ' 463' ' ' LEU . 75.9 tttt -84.51 125.0 72.74 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 116.292 -0.413 . . . . 15.0 110.35 -177.136 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . 0.585 ' HG2' ' HB3' ' A' ' 463' ' ' LEU . 17.1 Cg_endo -57.98 140.15 92.93 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 123.208 2.605 . . . . 15.0 112.561 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -66.29 -9.97 37.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.76 -0.655 . . . . 15.0 112.23 -177.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -88.69 -20.32 25.01 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.129 -0.487 . . . . 15.0 110.587 177.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . 0.597 ' O ' ' HE2' ' A' ' 459' ' ' LYS . 19.2 tp -120.02 18.33 12.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.056 -0.52 . . . . 15.0 110.902 -169.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 25.8 mtmm . . . . . 0 C--O 1.248 0.988 0 CA-C-O 118.161 -0.923 . . . . 15.0 110.388 179.697 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 434' ' ' GLU . . . . . 0.579 ' HB3' ' ND2' ' A' ' 449' ' ' ASN . 21.2 mm-40 . . . . . 0 N--CA 1.453 -0.281 0 CA-C-O 121.062 0.458 . . . . 15.0 110.878 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.479 ' CD2' ' HB2' ' A' ' 449' ' ' ASN . 55.6 m95 -90.65 123.2 34.08 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.614 -0.721 . . . . 15.0 110.456 -176.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 2.7 m -113.69 146.47 39.77 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.001 -0.545 . . . . 15.0 109.694 177.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -90.0 113.94 25.7 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.339 0.59 . . . . 15.0 110.135 -178.456 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 80.0 m-85 -110.64 148.02 33.09 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 114.948 -1.024 . . . . 15.0 108.946 175.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 0.824 ' HD2' ' N ' ' A' ' 444' ' ' LYS . 0.1 OUTLIER -103.92 138.93 39.79 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.24 0.543 . . . . 15.0 111.044 -176.818 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . 0.517 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 29.5 p -89.75 150.43 22.29 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.329 -0.85 . . . . 15.0 109.318 173.144 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -54.13 -23.47 14.23 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 112.791 0.664 . . . . 15.0 112.791 -175.315 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -80.99 -0.8 41.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.765 0.316 . . . . 15.0 111.307 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 88.78 55.79 2.09 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 121.089 -0.577 . . . . 15.0 112.658 175.509 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.824 ' N ' ' HD2' ' A' ' 439' ' ' LYS . 14.5 mmtp -140.52 142.68 35.21 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 116.7 2.111 . . . . 15.0 116.7 -178.263 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 20.9 p -89.59 139.69 30.3 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 114.981 -1.008 . . . . 15.0 110.711 179.057 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 45.7 p90 -149.96 145.14 26.3 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.317 -0.623 . . . . 15.0 109.317 173.302 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . 0.422 ' HB3' ' HB3' ' A' ' 435' ' ' TRP . 66.4 m-85 -98.69 114.54 27.09 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-O 121.387 0.613 . . . . 15.0 110.628 -173.197 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . 0.495 ' HD2' ' HB3' ' A' ' 455' ' ' SER . 44.0 t80 -106.09 119.48 39.33 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 114.999 -1.0 . . . . 15.0 110.055 -175.237 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.579 ' ND2' ' HB3' ' A' ' 434' ' ' GLU . 21.5 t-20 -89.72 134.61 34.08 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 108.728 -0.841 . . . . 15.0 108.728 176.252 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 42.9 m-80 -76.89 -52.94 8.55 Favored 'General case' 0 C--N 1.315 -0.925 0 N-CA-C 113.1 0.778 . . . . 15.0 113.1 -171.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -90.14 -1.86 58.0 Favored 'General case' 0 CA--C 1.515 -0.392 0 C-N-CA 118.169 -1.413 . . . . 15.0 112.487 -171.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . 0.55 ' OG1' ' HB3' ' A' ' 449' ' ' ASN . 26.3 p -91.82 -32.19 15.44 Favored 'General case' 0 C--N 1.308 -1.224 0 CA-C-O 121.58 0.705 . . . . 15.0 109.436 161.015 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 453' ' ' ASP . . . . . . . . . . . . . 29.3 t70 69.9 31.64 3.36 Favored 'General case' 0 C--N 1.343 0.319 0 CA-C-N 113.656 -1.611 . . . . 15.0 110.391 178.176 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . 0.545 ' HG2' ' OG1' ' A' ' 452' ' ' THR . 14.7 pt-20 -122.01 148.88 44.27 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.667 -0.697 . . . . 15.0 110.475 -177.76 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . 0.495 ' HB3' ' HD2' ' A' ' 448' ' ' TYR . 5.9 p -117.22 130.58 56.67 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.273 -0.421 . . . . 15.0 111.037 -178.306 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 8.9 t -119.72 150.05 41.01 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.104 -0.498 . . . . 15.0 110.479 179.194 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 83.0 m95 -96.44 2.17 52.32 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.158 -0.474 . . . . 15.0 110.092 178.207 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -109.07 151.71 26.03 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.88 -0.6 . . . . 15.0 109.596 -179.228 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 9.8 mtpm? -72.62 118.7 70.14 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-O 121.159 0.504 . . . . 15.0 111.415 -177.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . 0.595 ' HG2' ' HB2' ' A' ' 463' ' ' LEU . 11.2 Cg_endo -57.65 150.34 62.08 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 123.702 2.935 . . . . 15.0 112.396 177.458 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 461' ' ' GLN . . . . . 0.4 ' O ' ' HG2' ' A' ' 464' ' ' LYS . 4.9 pm0 -56.33 -25.23 48.26 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.026 -0.534 . . . . 15.0 112.068 -179.805 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . 0.411 ' OE2' ' HB2' ' A' ' 434' ' ' GLU . 11.7 pt-20 -89.88 7.32 37.83 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 116.114 -0.494 . . . . 15.0 111.655 179.585 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . 0.595 ' HB2' ' HG2' ' A' ' 460' ' ' PRO . 31.1 tp -116.96 9.04 13.62 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.161 0.505 . . . . 15.0 110.622 179.617 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . 0.4 ' HG2' ' O ' ' A' ' 461' ' ' GLN . 21.7 pttp . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.276 -0.869 . . . . 15.0 109.961 176.025 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 434' ' ' GLU . . . . . 0.55 ' HB3' ' ND2' ' A' ' 449' ' ' ASN . 6.2 mm-40 . . . . . 0 CA--C 1.518 -0.266 0 CA-C-O 120.937 0.398 . . . . 15.0 110.772 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.521 ' HA ' ' O ' ' A' ' 448' ' ' TYR . 71.5 m95 -112.29 119.93 39.98 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.442 -0.799 . . . . 15.0 110.633 -174.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 2.4 m -99.16 145.01 27.64 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.017 -0.538 . . . . 15.0 109.592 176.461 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -104.31 123.74 47.92 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.278 0.561 . . . . 15.0 110.602 -176.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . 0.561 ' O ' ' HA ' ' A' ' 445' ' ' THR . 93.4 m-85 -123.42 140.37 53.08 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.397 -0.819 . . . . 15.0 110.285 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 0.81 ' HD3' ' C ' ' A' ' 444' ' ' LYS . 11.2 tppt? -95.17 132.91 39.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.2 0.524 . . . . 15.0 109.926 175.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 9.8 p -89.64 151.0 22.12 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.36 -0.836 . . . . 15.0 110.365 -179.154 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -50.76 -20.97 1.42 Allowed 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 113.11 0.782 . . . . 15.0 113.11 -178.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -77.64 -5.03 48.96 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 121.027 0.441 . . . . 15.0 111.001 175.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . 0.447 ' C ' ' HD2' ' A' ' 439' ' ' LYS . . . 90.15 39.39 6.08 Favored Glycine 0 N--CA 1.447 -0.583 0 CA-C-N 115.628 -0.714 . . . . 15.0 114.153 173.682 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.81 ' C ' ' HD3' ' A' ' 439' ' ' LYS . 48.0 mtpt -145.16 153.54 41.48 Favored 'General case' 0 C--O 1.221 -0.42 0 N-CA-C 113.346 0.869 . . . . 15.0 113.346 175.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . 0.561 ' HA ' ' O ' ' A' ' 438' ' ' TYR . 0.1 OUTLIER -99.41 150.11 22.49 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.833 -0.621 . . . . 15.0 112.239 -176.6 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 47.2 p90 -142.57 150.06 39.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.528 -0.76 . . . . 15.0 109.336 -177.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -98.11 126.49 43.58 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.404 0.621 . . . . 15.0 111.089 -175.155 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . 0.521 ' O ' ' HA ' ' A' ' 435' ' ' TRP . 43.0 t80 -116.65 120.12 37.64 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 115.355 -0.839 . . . . 15.0 110.315 -174.129 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.55 ' ND2' ' HB3' ' A' ' 434' ' ' GLU . 23.1 t-20 -89.77 134.36 34.22 Favored 'General case' 0 CA--C 1.507 -0.691 0 N-CA-C 108.693 -0.854 . . . . 15.0 108.693 177.726 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 41.6 m-80 -83.54 -50.18 8.5 Favored 'General case' 0 C--N 1.312 -1.03 0 N-CA-C 113.259 0.837 . . . . 15.0 113.259 -170.376 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 46.0 mtm180 -90.06 -1.76 58.01 Favored 'General case' 0 N--CA 1.462 0.173 0 C-N-CA 118.419 -1.312 . . . . 15.0 112.728 -173.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 71.2 p -91.4 -36.65 13.68 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.553 0.692 . . . . 15.0 109.54 160.069 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 453' ' ' ASP . . . . . . . . . . . . . 26.5 t70 67.51 71.38 0.35 Allowed 'General case' 0 C--O 1.231 0.125 0 CA-C-N 113.611 -1.631 . . . . 15.0 109.752 -173.047 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -150.2 150.24 31.31 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.236 -0.893 . . . . 15.0 111.001 -178.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 10.2 p -112.35 129.38 56.32 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.106 -0.497 . . . . 15.0 111.145 179.477 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 21.7 m -132.59 139.51 47.83 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.094 -0.503 . . . . 15.0 110.084 -178.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 91.3 m95 -89.01 -25.67 21.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.722 0.296 . . . . 15.0 111.497 -178.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -75.55 137.07 40.59 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.179 -0.464 . . . . 15.0 109.907 174.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . 1.056 ' HB3' ' HE3' ' A' ' 464' ' ' LYS . 32.9 tttm -67.2 114.2 17.42 Favored Pre-proline 0 C--N 1.326 -0.417 0 N-CA-C 109.792 -0.448 . . . . 15.0 109.792 -179.498 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . 0.738 ' HG2' ' HB3' ' A' ' 463' ' ' LEU . 10.1 Cg_endo -53.63 146.32 44.29 Favored 'Trans proline' 0 N--CA 1.476 0.446 0 C-N-CA 123.969 3.112 . . . . 15.0 112.901 -176.503 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -63.67 -22.85 67.12 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 111.851 0.315 . . . . 15.0 111.851 -178.114 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 2.5 pm0 -82.15 -15.48 53.15 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.711 0.291 . . . . 15.0 111.251 177.586 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . 0.738 ' HB3' ' HG2' ' A' ' 460' ' ' PRO . 29.6 tp -120.27 3.45 10.85 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.843 0.354 . . . . 15.0 110.51 -178.581 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . 1.056 ' HE3' ' HB3' ' A' ' 459' ' ' LYS . 8.3 mmtp . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.256 -0.878 . . . . 15.0 110.577 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 . . . . . 0 C--O 1.235 0.307 0 CA-C-O 120.674 0.273 . . . . 15.0 110.459 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.47 ' CZ3' HG22 ' A' ' 456' ' ' THR . 86.6 m95 -102.59 124.57 48.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.083 -0.508 . . . . 15.0 110.841 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 2.8 m -111.43 144.01 41.32 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.895 -0.409 . . . . 15.0 109.895 176.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . 0.436 ' HG2' HG22 ' A' ' 445' ' ' THR . 31.3 tt0 -99.98 122.55 43.05 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.267 0.556 . . . . 15.0 110.221 -176.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 90.4 m-85 -124.33 150.23 45.7 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.324 -0.853 . . . . 15.0 109.662 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 0.856 ' HD2' ' N ' ' A' ' 444' ' ' LYS . 13.6 tppt? -104.16 138.34 40.79 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.994 0.426 . . . . 15.0 111.054 179.325 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . 0.508 HG23 ' CE1' ' A' ' 446' ' ' TYR . 6.1 p -89.81 150.29 22.31 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.774 -0.648 . . . . 15.0 109.663 172.443 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -64.08 1.87 0.63 Allowed 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 113.314 0.857 . . . . 15.0 113.314 -174.452 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -100.52 2.28 41.82 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.797 0.332 . . . . 15.0 110.455 178.106 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.05 54.91 2.07 Favored Glycine 0 C--N 1.332 0.321 0 C-N-CA 121.243 -0.503 . . . . 15.0 112.62 178.13 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.856 ' N ' ' HD2' ' A' ' 439' ' ' LYS . 33.0 mttp -150.11 132.59 15.68 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 115.004 1.483 . . . . 15.0 115.004 -177.451 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . 0.436 HG22 ' HG2' ' A' ' 437' ' ' GLU . 0.0 OUTLIER -93.74 148.77 21.81 Favored 'General case' 0 C--N 1.315 -0.896 0 C-N-CA 121.153 -0.219 . . . . 15.0 110.632 177.506 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . 0.508 ' CE1' HG23 ' A' ' 440' ' ' THR . 54.4 p90 -149.95 150.06 31.3 Favored 'General case' 0 CA--C 1.515 -0.397 0 N-CA-C 109.612 -0.514 . . . . 15.0 109.612 -176.291 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -104.98 120.34 41.22 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.474 0.654 . . . . 15.0 111.102 -171.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . 0.574 ' CD2' ' HB3' ' A' ' 455' ' ' SER . 35.2 t80 -113.39 119.62 38.26 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 114.648 -1.16 . . . . 15.0 109.767 -176.502 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.608 ' HB3' ' OG1' ' A' ' 452' ' ' THR . 46.2 t-20 -90.13 126.97 35.98 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.978 -0.749 . . . . 15.0 108.978 177.634 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 45.6 m-80 -80.47 -41.2 24.79 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.49 -0.777 . . . . 15.0 112.623 -171.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 80.9 mtm180 -90.28 -1.49 57.93 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 118.666 -1.214 . . . . 15.0 111.793 -174.419 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . 0.608 ' OG1' ' HB3' ' A' ' 449' ' ' ASN . 42.5 p -91.55 -47.65 7.29 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.717 0.77 . . . . 15.0 109.357 160.07 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 453' ' ' ASP . . . . . . . . . . . . . 30.1 t70 81.93 36.18 0.07 Allowed 'General case' 0 C--N 1.342 0.247 0 CA-C-N 112.779 -2.009 . . . . 15.0 109.71 -172.264 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . 0.492 ' HG3' ' HB ' ' A' ' 452' ' ' THR . 1.1 pp20? -128.73 145.49 51.16 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.234 0.54 . . . . 15.0 111.045 175.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . 0.574 ' HB3' ' CD2' ' A' ' 448' ' ' TYR . 13.0 p -116.76 135.1 54.03 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.474 -0.785 . . . . 15.0 110.949 -177.435 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . 0.47 HG22 ' CZ3' ' A' ' 435' ' ' TRP . 14.4 t -133.01 150.05 52.18 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.925 -0.579 . . . . 15.0 109.719 177.211 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.588 ' HZ3' ' HB3' ' A' ' 444' ' ' LYS . 74.2 m95 -86.19 -3.28 58.93 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.122 0.487 . . . . 15.0 110.25 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -83.2 136.07 34.55 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.628 -0.715 . . . . 15.0 109.615 176.338 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . 0.521 ' HE2' ' O ' ' A' ' 463' ' ' LEU . 70.7 tttt -77.33 123.44 86.97 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 116.49 -0.323 . . . . 15.0 110.795 -175.623 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -69.18 149.16 70.24 Favored 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 122.818 2.345 . . . . 15.0 112.257 -179.174 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -57.81 -27.86 63.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.744 -0.662 . . . . 15.0 112.055 -175.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -72.4 -22.15 61.16 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.05 0.389 . . . . 15.0 112.05 -176.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . 0.521 ' O ' ' HE2' ' A' ' 459' ' ' LYS . 6.3 tp -120.23 3.28 10.88 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.675 -0.41 . . . . 15.0 111.005 -172.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 64.2 tttm . . . . . 0 C--O 1.253 1.27 0 CA-C-O 118.378 -0.82 . . . . 15.0 111.853 -174.177 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 434' ' ' GLU . . . . . 0.512 ' HG3' ' ND2' ' A' ' 449' ' ' ASN . 15.6 tp10 . . . . . 0 C--O 1.234 0.279 0 CA-C-O 121.351 0.596 . . . . 15.0 110.446 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 84.9 m95 -108.65 135.67 49.5 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.351 -0.841 . . . . 15.0 110.249 177.271 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 3.1 m -126.18 144.73 50.65 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.499 -0.556 . . . . 15.0 109.499 173.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . 0.531 ' HB3' ' CD1' ' A' ' 447' ' ' TYR . 0.2 OUTLIER -110.96 131.12 55.31 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.533 0.683 . . . . 15.0 111.103 -176.515 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -126.96 141.84 51.7 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.429 -0.805 . . . . 15.0 109.483 178.46 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 0.817 ' HD3' ' C ' ' A' ' 444' ' ' LYS . 10.6 tppt? -93.75 143.34 26.41 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.382 0.61 . . . . 15.0 110.413 -177.739 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 25.0 p -89.62 150.71 22.26 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.108 -0.951 . . . . 15.0 109.872 178.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -49.91 -25.14 2.95 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 112.966 0.728 . . . . 15.0 112.966 -179.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -80.55 -6.12 57.76 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 120.902 0.382 . . . . 15.0 110.758 178.479 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.32 51.47 2.74 Favored Glycine 0 N--CA 1.449 -0.48 0 CA-C-N 115.943 -0.571 . . . . 15.0 114.254 176.036 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.817 ' C ' ' HD3' ' A' ' 439' ' ' LYS . 42.6 mttp -146.19 149.94 34.91 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 117.489 0.645 . . . . 15.0 112.626 168.229 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . 0.564 ' N ' ' HD3' ' A' ' 439' ' ' LYS . 0.0 OUTLIER -96.66 145.3 25.89 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.17 0.509 . . . . 15.0 111.563 -179.041 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 52.0 p90 -130.09 146.81 51.77 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.282 -0.872 . . . . 15.0 108.656 175.132 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . 0.531 ' CD1' ' HB3' ' A' ' 437' ' ' GLU . 64.0 m-85 -99.98 123.69 44.5 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.379 0.609 . . . . 15.0 111.065 -174.631 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 55.1 t80 -109.43 124.09 50.44 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.247 -0.888 . . . . 15.0 110.665 -178.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.548 ' HB3' ' OG1' ' A' ' 452' ' ' THR . 24.1 t-20 -94.44 135.42 35.89 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.635 -0.876 . . . . 15.0 108.635 172.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 43.4 m-80 -76.82 -53.01 8.48 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 113.141 0.793 . . . . 15.0 113.141 -170.047 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . 0.405 ' HE ' ' CD ' ' A' ' 434' ' ' GLU . 46.6 mtm180 -88.99 -1.11 57.95 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 118.836 -1.145 . . . . 15.0 112.306 -172.288 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . 0.548 ' OG1' ' HB3' ' A' ' 449' ' ' ASN . 80.4 p -91.34 -31.49 16.06 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.422 0.629 . . . . 15.0 109.692 158.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 453' ' ' ASP . . . . . . . . . . . . . 36.8 t70 66.62 31.23 7.9 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 114.195 -1.366 . . . . 15.0 109.664 -175.159 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -101.14 141.36 34.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.663 -0.699 . . . . 15.0 110.339 -178.324 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 15.6 m -117.55 115.79 25.82 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.298 -0.63 . . . . 15.0 109.298 174.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 14.6 t -130.97 150.47 52.11 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.302 0.572 . . . . 15.0 110.842 -175.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 70.9 m95 -89.88 0.31 57.13 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.669 -0.696 . . . . 15.0 110.241 178.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -87.31 153.24 21.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.547 -0.751 . . . . 15.0 109.555 177.109 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . 0.481 ' HE2' ' O ' ' A' ' 463' ' ' LEU . 63.1 tttt -81.21 124.91 80.46 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 116.454 -0.339 . . . . 15.0 110.697 -175.587 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . 0.543 ' HG2' ' HB3' ' A' ' 463' ' ' LEU . 6.6 Cg_endo -51.95 140.71 48.35 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 123.476 2.784 . . . . 15.0 112.656 178.176 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -72.05 -1.6 15.31 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.116 -0.493 . . . . 15.0 111.724 -176.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -102.94 -4.93 24.04 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.945 0.402 . . . . 15.0 110.383 174.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . 0.543 ' HB3' ' HG2' ' A' ' 460' ' ' PRO . 21.7 tp -120.03 21.17 11.95 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.237 -0.438 . . . . 15.0 110.031 -176.313 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . 0.445 ' HG3' ' H ' ' A' ' 464' ' ' LYS . 21.2 mtmm . . . . . 0 C--O 1.248 0.984 0 CA-C-O 118.469 -0.777 . . . . 15.0 111.13 -175.564 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 434' ' ' GLU . . . . . 0.5 ' O ' ' HA ' ' A' ' 449' ' ' ASN . 14.9 mm-40 . . . . . 0 C--O 1.234 0.247 0 CA-C-O 121.176 0.513 . . . . 15.0 110.93 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.485 ' HB3' ' HB3' ' A' ' 447' ' ' TYR . 34.2 m95 -102.51 114.54 28.84 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.362 -0.835 . . . . 15.0 110.684 -173.482 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 4.9 m -91.4 146.09 24.1 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.844 -0.616 . . . . 15.0 109.65 177.158 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . 0.405 ' HG2' ' CE1' ' A' ' 447' ' ' TYR . 51.4 mt-10 -96.27 126.99 41.86 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.944 0.402 . . . . 15.0 111.462 -175.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . 0.453 ' O ' ' HA ' ' A' ' 445' ' ' THR . 78.0 m-85 -130.66 127.06 38.14 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.454 -0.793 . . . . 15.0 109.398 175.348 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 0.794 ' HD3' ' C ' ' A' ' 444' ' ' LYS . 11.9 tppt? -99.9 142.24 31.65 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 109.493 -0.558 . . . . 15.0 109.493 179.156 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 24.7 p -89.39 150.71 22.41 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 115.442 -0.799 . . . . 15.0 110.013 -178.371 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -49.58 -28.73 6.0 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 112.563 0.579 . . . . 15.0 112.563 -179.568 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -79.76 -4.11 50.55 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 121.159 0.504 . . . . 15.0 111.05 178.352 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.23 52.69 2.49 Favored Glycine 0 N--CA 1.447 -0.59 0 CA-C-N 115.728 -0.669 . . . . 15.0 114.581 174.373 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.794 ' C ' ' HD3' ' A' ' 439' ' ' LYS . 10.7 mttm -146.57 146.07 30.33 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 113.43 0.9 . . . . 15.0 113.43 169.26 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . 0.615 ' N ' ' HD3' ' A' ' 439' ' ' LYS . 0.0 OUTLIER -96.13 145.47 25.48 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.52 0.676 . . . . 15.0 112.138 -179.242 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 42.7 p90 -129.26 135.78 49.23 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 114.806 -1.088 . . . . 15.0 108.597 171.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . 0.501 ' CD2' ' HD3' ' A' ' 460' ' ' PRO . 73.2 m-85 -92.61 112.36 24.29 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.224 -0.444 . . . . 15.0 110.564 -174.248 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . 0.423 ' CE1' ' HA ' ' A' ' 453' ' ' ASP . 29.1 t80 -100.41 120.99 40.8 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.987 -0.551 . . . . 15.0 110.864 -178.332 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.557 ' HB3' ' OG1' ' A' ' 452' ' ' THR . 37.3 t-20 -89.77 129.3 36.18 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.69 -0.855 . . . . 15.0 108.69 176.725 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 40.7 m-80 -73.23 -49.99 24.82 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 113.281 0.845 . . . . 15.0 113.281 -170.638 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 31.6 mtm180 -90.18 -1.68 57.97 Favored 'General case' 0 C--N 1.333 -0.145 0 C-N-CA 118.268 -1.373 . . . . 15.0 112.225 -173.486 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . 0.621 ' OG1' ' HG2' ' A' ' 454' ' ' GLU . 70.4 p -91.2 -36.6 13.84 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.948 -0.76 . . . . 15.0 108.948 161.12 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 453' ' ' ASP . . . . . 0.423 ' HA ' ' CE1' ' A' ' 448' ' ' TYR . 36.8 t70 69.88 33.41 2.86 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 113.505 -1.679 . . . . 15.0 109.369 -174.347 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . 0.621 ' HG2' ' OG1' ' A' ' 452' ' ' THR . 10.8 pt-20 -116.99 145.15 43.84 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 115.817 -0.629 . . . . 15.0 110.212 -179.304 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 36.0 m -109.9 118.38 36.31 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.127 0.489 . . . . 15.0 110.982 -179.45 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 54.1 m -110.3 134.65 52.06 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.711 -0.677 . . . . 15.0 109.79 177.223 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 69.3 m95 -89.55 -23.65 21.95 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.145 0.498 . . . . 15.0 109.948 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -72.81 152.39 41.58 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.455 -0.793 . . . . 15.0 109.666 174.196 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . 0.63 ' HG2' ' HA ' ' A' ' 464' ' ' LYS . 18.0 tptm -64.76 120.62 67.75 Favored Pre-proline 0 C--N 1.326 -0.443 0 N-CA-C 110.208 -0.293 . . . . 15.0 110.208 -179.402 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . 0.501 ' HD3' ' CD2' ' A' ' 447' ' ' TYR . 52.5 Cg_exo -56.7 144.14 87.44 Favored 'Trans proline' 0 C--N 1.343 0.253 0 C-N-CA 123.198 2.598 . . . . 15.0 111.826 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -67.29 -9.45 40.98 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.3 0.481 . . . . 15.0 112.3 -175.364 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -98.59 -14.33 19.96 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.135 0.493 . . . . 15.0 110.578 176.219 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 31.4 tp -120.1 0.94 10.82 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.211 -0.45 . . . . 15.0 110.995 -174.236 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . 0.63 ' HA ' ' HG2' ' A' ' 459' ' ' LYS . 19.0 pttp . . . . . 0 C--O 1.245 0.857 0 CA-C-O 118.116 -0.945 . . . . 15.0 111.597 -176.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 434' ' ' GLU . . . . . 0.57 ' O ' ' HA ' ' A' ' 449' ' ' ASN . 19.8 mm-40 . . . . . 0 CA--C 1.519 -0.231 0 CA-C-O 120.884 0.373 . . . . 15.0 110.773 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.493 ' CZ3' HG22 ' A' ' 456' ' ' THR . 68.9 m95 -104.03 122.2 44.75 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.628 -0.714 . . . . 15.0 111.025 -173.328 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 6.3 m -106.04 149.02 27.08 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.811 -0.631 . . . . 15.0 109.879 176.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -101.25 121.49 41.96 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.385 0.612 . . . . 15.0 111.571 -178.264 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . 0.565 ' O ' ' HA ' ' A' ' 445' ' ' THR . 74.8 m-85 -124.72 128.12 48.3 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.252 -0.885 . . . . 15.0 109.049 174.134 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 0.736 ' HD3' ' C ' ' A' ' 444' ' ' LYS . 10.2 tppt? -89.92 125.02 35.21 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.338 0.589 . . . . 15.0 110.668 -177.611 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -89.77 150.74 22.14 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.196 -0.911 . . . . 15.0 110.013 176.662 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -47.84 -15.46 0.06 Allowed 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 114.205 1.187 . . . . 15.0 114.205 -176.448 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -80.66 -2.23 45.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.242 0.544 . . . . 15.0 110.377 177.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . 0.455 ' C ' ' HD2' ' A' ' 439' ' ' LYS . . . 89.97 35.15 7.82 Favored Glycine 0 N--CA 1.448 -0.523 0 CA-C-N 115.46 -0.791 . . . . 15.0 113.759 170.822 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.736 ' C ' ' HD3' ' A' ' 439' ' ' LYS . 33.0 mttp -150.43 157.61 43.22 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 117.093 0.446 . . . . 15.0 112.037 176.333 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . 0.565 ' HA ' ' O ' ' A' ' 438' ' ' TYR . 33.8 p -93.87 136.33 34.27 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.367 0.603 . . . . 15.0 111.4 178.23 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . 0.403 ' CZ ' ' HB2' ' A' ' 438' ' ' TYR . 52.7 p90 -100.01 136.9 39.21 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 108.412 -0.958 . . . . 15.0 108.412 171.564 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 38.7 m-85 -91.46 114.89 27.55 Favored 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 109.958 -0.386 . . . . 15.0 109.958 -176.124 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . 0.438 ' O ' ' HA ' ' A' ' 435' ' ' TRP . 52.2 t80 -109.87 125.7 53.06 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.204 -0.453 . . . . 15.0 111.062 -177.703 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.731 ' HB3' ' OG1' ' A' ' 452' ' ' THR . 43.8 t-20 -96.07 133.85 39.83 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.401 -0.592 . . . . 15.0 109.401 175.245 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 44.5 m-80 -75.94 -50.54 14.68 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 113.245 0.831 . . . . 15.0 113.245 -172.625 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 50.4 mtm180 -90.2 -1.16 57.9 Favored 'General case' 0 N--CA 1.463 0.183 0 C-N-CA 118.803 -1.159 . . . . 15.0 111.762 -172.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . 0.731 ' OG1' ' HB3' ' A' ' 449' ' ' ASN . 68.9 p -91.12 -36.08 14.2 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 108.536 -0.913 . . . . 15.0 108.536 161.654 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 453' ' ' ASP . . . . . . . . . . . . . 33.1 t70 69.06 36.26 2.51 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 113.838 -1.528 . . . . 15.0 109.287 -177.066 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . 0.475 ' HG3' ' HB ' ' A' ' 452' ' ' THR . 1.4 pp20? -134.93 150.08 50.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.708 -0.678 . . . . 15.0 111.011 178.4 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 34.5 t -120.62 134.11 55.31 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.657 -0.701 . . . . 15.0 110.693 -176.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . 0.493 HG22 ' CZ3' ' A' ' 435' ' ' TRP . 8.9 t -120.1 149.79 41.64 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.777 -0.647 . . . . 15.0 109.991 176.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 77.9 m95 -92.66 -3.41 54.97 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.34 0.59 . . . . 15.0 109.703 177.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -93.46 140.81 29.16 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.125 -0.943 . . . . 15.0 109.408 178.089 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . 1.01 ' HD3' ' HA ' ' A' ' 464' ' ' LYS . 33.9 ttmt -55.67 125.18 60.25 Favored Pre-proline 0 C--N 1.328 -0.335 0 O-C-N 123.252 0.345 . . . . 15.0 111.404 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -63.32 150.09 89.5 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 123.296 2.664 . . . . 15.0 112.142 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 32.9 mm-40 -68.21 -11.27 59.01 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.628 0.603 . . . . 15.0 112.628 -174.312 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -99.36 -3.04 34.8 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.153 0.501 . . . . 15.0 110.49 177.111 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 31.3 tp -120.09 8.76 11.02 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.733 -0.667 . . . . 15.0 110.091 -178.11 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . 1.01 ' HA ' ' HD3' ' A' ' 459' ' ' LYS . 19.0 ptpt . . . . . 0 C--O 1.252 1.223 0 CA-C-O 118.955 -0.545 . . . . 15.0 111.604 -175.204 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 . . . . . 0 C--O 1.235 0.307 0 CA-C-O 121.001 0.429 . . . . 15.0 110.329 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.488 ' HA ' ' O ' ' A' ' 448' ' ' TYR . 56.0 m95 -103.45 127.71 50.77 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.51 -0.768 . . . . 15.0 110.751 -175.697 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 3.5 m -117.34 144.02 45.35 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.352 -0.61 . . . . 15.0 109.352 175.379 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . 0.64 ' HB3' ' CD1' ' A' ' 447' ' ' TYR . 0.2 OUTLIER -121.2 134.79 55.21 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-O 121.499 0.666 . . . . 15.0 111.437 -176.481 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -122.45 138.17 54.63 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.292 -0.867 . . . . 15.0 109.085 176.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 0.843 ' HD3' ' C ' ' A' ' 444' ' ' LYS . 4.7 tppp? -89.72 127.03 35.88 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.496 -0.557 . . . . 15.0 109.496 -178.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 24.6 p -89.56 150.63 22.34 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 115.415 -0.812 . . . . 15.0 110.017 -176.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -48.19 -22.19 0.61 Allowed 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 113.173 0.805 . . . . 15.0 113.173 -176.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -78.71 -2.21 38.2 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 121.046 0.451 . . . . 15.0 111.063 177.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.94 37.62 6.74 Favored Glycine 0 N--CA 1.448 -0.554 0 CA-C-N 115.927 -0.579 . . . . 15.0 114.517 170.673 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.843 ' C ' ' HD3' ' A' ' 439' ' ' LYS . 35.5 mtmm -151.24 155.49 38.9 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 117.58 0.69 . . . . 15.0 112.472 175.101 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . 0.688 HG23 ' HE3' ' A' ' 439' ' ' LYS . 0.6 OUTLIER -98.48 143.15 29.23 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.679 -0.691 . . . . 15.0 111.615 -177.663 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 44.5 p90 -115.71 137.79 51.73 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 108.814 -0.81 . . . . 15.0 108.814 171.602 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . 0.64 ' CD1' ' HB3' ' A' ' 437' ' ' GLU . 97.1 m-85 -98.93 122.02 41.64 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-O 121.19 0.519 . . . . 15.0 110.66 -174.647 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . 0.488 ' O ' ' HA ' ' A' ' 435' ' ' TRP . 46.0 t80 -113.38 123.81 50.96 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.131 -0.941 . . . . 15.0 111.247 -174.217 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -90.11 139.04 31.01 Favored 'General case' 0 CA--C 1.513 -0.449 0 N-CA-C 109.021 -0.733 . . . . 15.0 109.021 172.162 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 31.3 m-80 -75.14 -62.21 1.63 Allowed 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 113.57 0.952 . . . . 15.0 113.57 -172.642 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -87.67 -1.57 58.04 Favored 'General case' 0 CA--C 1.513 -0.455 0 C-N-CA 118.009 -1.477 . . . . 15.0 112.796 -168.182 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 25.9 p -91.93 -29.78 16.47 Favored 'General case' 0 C--N 1.309 -1.185 0 CA-C-O 121.778 0.799 . . . . 15.0 109.688 163.05 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 453' ' ' ASP . . . . . . . . . . . . . 17.1 t70 54.76 75.35 0.3 Allowed 'General case' 0 C--O 1.231 0.109 0 CA-C-N 113.684 -1.598 . . . . 15.0 110.474 -174.225 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . 0.431 ' O ' ' HA ' ' A' ' 448' ' ' TYR . 12.6 pt-20 -144.73 142.5 30.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 114.887 -1.052 . . . . 15.0 109.961 178.302 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 15.0 m -120.88 120.79 36.53 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.11 -0.496 . . . . 15.0 109.952 -178.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 14.7 t -133.73 150.12 51.49 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.019 0.438 . . . . 15.0 111.036 -177.572 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 51.6 m95 -89.54 65.75 7.09 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.531 -0.544 . . . . 15.0 109.531 176.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -158.85 128.84 5.79 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.528 -0.76 . . . . 15.0 109.518 -178.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . 0.407 ' HA ' ' HD2' ' A' ' 460' ' ' PRO . 33.3 tttm -70.96 116.28 44.8 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 116.128 -0.487 . . . . 15.0 109.927 -177.708 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . 0.949 ' HG2' ' HB3' ' A' ' 463' ' ' LEU . 11.1 Cg_endo -53.93 150.26 31.18 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 123.625 2.883 . . . . 15.0 112.657 -178.372 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -72.2 -20.09 61.63 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.518 -0.31 . . . . 15.0 111.433 -178.436 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.08 -21.22 33.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.489 0.662 . . . . 15.0 109.907 176.717 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . 0.949 ' HB3' ' HG2' ' A' ' 460' ' ' PRO . 29.3 tp -119.98 30.77 6.84 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.184 -0.917 . . . . 15.0 109.269 -179.319 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.242 0.665 0 CA-C-N 115.362 -0.836 . . . . 15.0 110.542 -177.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 434' ' ' GLU . . . . . 0.447 ' O ' ' HA ' ' A' ' 449' ' ' ASN . 9.6 mm-40 . . . . . 0 N--CA 1.465 0.292 0 N-CA-C 112.999 0.741 . . . . 15.0 112.999 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 79.5 m95 -94.47 116.7 29.1 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.243 0.544 . . . . 15.0 111.675 -170.06 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 2.9 m -107.25 144.1 34.54 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.643 -0.708 . . . . 15.0 109.558 175.266 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -110.12 125.27 52.82 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.978 0.418 . . . . 15.0 111.354 -176.596 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . 0.457 ' O ' ' HA ' ' A' ' 445' ' ' THR . 77.7 m-85 -129.73 134.35 47.57 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.598 -0.728 . . . . 15.0 110.064 176.244 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 0.817 ' HD3' ' C ' ' A' ' 444' ' ' LYS . 4.9 tppp? -91.53 139.34 30.8 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.105 -0.498 . . . . 15.0 109.77 178.149 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 42.6 p -89.44 150.67 22.4 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.704 -0.68 . . . . 15.0 109.847 179.168 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -52.87 -19.72 2.75 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 112.925 0.713 . . . . 15.0 112.925 -178.642 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -89.07 2.75 53.62 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-O 121.381 0.61 . . . . 15.0 110.538 177.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . 0.452 ' C ' ' HD2' ' A' ' 439' ' ' LYS . . . 90.08 42.32 5.33 Favored Glycine 0 N--CA 1.45 -0.43 0 N-CA-C 115.99 1.156 . . . . 15.0 115.99 166.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.817 ' C ' ' HD3' ' A' ' 439' ' ' LYS . 4.3 mptt -148.24 153.9 39.35 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 117.992 0.896 . . . . 15.0 112.425 168.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . 0.529 HG23 ' HE3' ' A' ' 439' ' ' LYS . 1.0 OUTLIER -91.8 141.07 29.06 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.78 -0.645 . . . . 15.0 112.216 -177.297 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 54.1 p90 -114.45 141.24 47.94 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.873 -0.788 . . . . 15.0 108.873 172.409 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . 0.45 ' OH ' ' HE2' ' A' ' 459' ' ' LYS . 49.5 m-85 -97.1 123.52 40.87 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.192 -0.458 . . . . 15.0 110.418 -174.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . 0.477 ' CD2' ' HB3' ' A' ' 455' ' ' SER . 20.0 t80 -125.4 125.65 43.73 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.238 -0.437 . . . . 15.0 110.838 -173.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.521 ' HB3' ' HG2' ' A' ' 454' ' ' GLU . 46.3 t-20 -96.67 128.33 43.51 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.165 -1.05 . . . . 15.0 108.165 172.675 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 48.4 m-80 -78.98 -46.57 17.99 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 112.948 0.721 . . . . 15.0 112.948 -171.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 38.7 mtm180 -90.09 -1.7 57.99 Favored 'General case' 0 N--CA 1.463 0.194 0 C-N-CA 118.362 -1.335 . . . . 15.0 112.58 -173.728 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . 0.5 ' OG1' ' HB3' ' A' ' 449' ' ' ASN . 68.4 p -91.4 -34.46 14.85 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.712 0.768 . . . . 15.0 109.1 160.118 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 453' ' ' ASP . . . . . . . . . . . . . 30.6 t70 67.93 57.85 0.5 Allowed 'General case' 0 C--O 1.234 0.263 0 CA-C-N 113.569 -1.65 . . . . 15.0 109.925 -174.138 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . 0.521 ' HG2' ' HB3' ' A' ' 449' ' ' ASN . 13.0 pt-20 -127.78 145.77 50.81 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.055 -0.975 . . . . 15.0 110.277 -179.68 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . 0.477 ' HB3' ' CD2' ' A' ' 448' ' ' TYR . 15.3 p -121.65 121.66 37.86 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.195 -0.457 . . . . 15.0 110.056 177.297 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 13.2 t -134.01 150.14 51.23 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.21 0.529 . . . . 15.0 111.022 -177.592 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 87.2 m95 -100.15 2.13 42.73 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.939 -0.573 . . . . 15.0 110.293 178.049 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -100.96 132.9 46.15 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.226 -0.657 . . . . 15.0 109.226 177.534 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . 0.45 ' HE2' ' OH ' ' A' ' 447' ' ' TYR . 36.5 ttmt -75.56 118.34 70.15 Favored Pre-proline 0 C--N 1.324 -0.528 0 N-CA-C 112.746 0.647 . . . . 15.0 112.746 -168.237 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . 0.624 ' HG2' ' HB3' ' A' ' 463' ' ' LEU . 2.0 Cg_endo -47.13 150.26 3.14 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 124.337 3.358 . . . . 15.0 112.904 172.079 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -63.07 -34.92 78.62 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.175 -0.466 . . . . 15.0 111.004 -178.636 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -79.81 -12.32 59.78 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.7 -0.682 . . . . 15.0 111.457 -177.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . 0.624 ' HB3' ' HG2' ' A' ' 460' ' ' PRO . 21.6 tp -114.62 4.06 15.0 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.183 0.516 . . . . 15.0 110.125 -175.51 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . 0.441 ' HA ' ' CD ' ' A' ' 459' ' ' LYS . 4.6 ttmp? . . . . . 0 C--O 1.245 0.845 0 CA-C-O 118.348 -0.834 . . . . 15.0 110.097 -179.573 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 . . . . . 0 C--O 1.233 0.211 0 CA-C-O 121.044 0.449 . . . . 15.0 110.55 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 70.3 m95 -105.51 126.63 52.34 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.469 -0.787 . . . . 15.0 110.677 -178.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 3.0 m -117.36 144.54 44.82 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.249 -0.432 . . . . 15.0 109.842 175.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -99.97 125.54 46.01 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.125 0.488 . . . . 15.0 110.379 -176.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . 0.456 ' HB2' ' CZ ' ' A' ' 446' ' ' TYR . 76.8 m-85 -122.39 150.02 43.0 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.717 -0.674 . . . . 15.0 109.684 177.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 0.834 ' HD2' ' N ' ' A' ' 444' ' ' LYS . 3.4 tppp? -103.71 136.13 43.98 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.872 0.368 . . . . 15.0 111.018 179.359 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . 0.492 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 20.6 p -89.95 150.26 22.24 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.998 -0.546 . . . . 15.0 109.841 173.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -63.92 -0.66 1.16 Allowed 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 113.464 0.913 . . . . 15.0 113.464 -174.51 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -96.25 1.52 52.17 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 122.021 -0.425 . . . . 15.0 110.133 175.313 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.01 54.7 2.12 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.947 -0.644 . . . . 15.0 112.674 177.618 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.834 ' N ' ' HD2' ' A' ' 439' ' ' LYS . 35.3 mttp -147.47 132.24 17.96 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 115.301 1.593 . . . . 15.0 115.301 -177.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . 0.65 HG23 ' HE3' ' A' ' 439' ' ' LYS . 0.7 OUTLIER -90.04 141.27 28.84 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 116.125 -0.489 . . . . 15.0 111.068 176.003 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . 0.461 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 51.8 p90 -140.82 148.72 41.02 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.791 -0.448 . . . . 15.0 109.791 178.646 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 57.1 m-85 -99.7 121.03 40.64 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.565 0.698 . . . . 15.0 111.043 -176.333 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 18.0 t80 -108.42 117.42 34.13 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 114.872 -1.058 . . . . 15.0 109.567 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.665 ' HB3' ' OG1' ' A' ' 452' ' ' THR . 39.2 t-20 -91.39 128.61 37.28 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 108.587 -0.894 . . . . 15.0 108.587 174.515 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 46.1 m-80 -72.1 -47.5 50.84 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 115.895 -0.593 . . . . 15.0 112.243 -175.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 78.1 mtm180 -90.1 -1.91 58.02 Favored 'General case' 0 C--N 1.332 -0.154 0 C-N-CA 118.818 -1.153 . . . . 15.0 112.596 -173.255 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . 0.665 ' OG1' ' HB3' ' A' ' 449' ' ' ASN . 81.3 p -91.12 -39.55 12.09 Favored 'General case' 0 CA--C 1.515 -0.4 0 N-CA-C 108.722 -0.844 . . . . 15.0 108.722 159.47 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 453' ' ' ASP . . . . . . . . . . . . . 31.2 t70 75.09 36.28 0.54 Allowed 'General case' 0 C--N 1.344 0.366 0 CA-C-N 113.334 -1.757 . . . . 15.0 109.518 -175.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . 0.536 ' HG2' ' OG1' ' A' ' 452' ' ' THR . 11.7 pt-20 -114.12 149.92 34.89 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.055 -0.52 . . . . 15.0 111.016 -178.164 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 5.1 m -119.52 114.54 22.42 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.852 -0.613 . . . . 15.0 109.787 176.451 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 7.0 t -140.49 150.18 43.43 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.153 0.501 . . . . 15.0 111.635 -177.438 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.528 ' HZ3' ' HB3' ' A' ' 444' ' ' LYS . 8.0 m95 -85.92 -3.27 58.88 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.454 -0.793 . . . . 15.0 109.975 178.824 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.7 140.6 35.51 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 108.319 -0.993 . . . . 15.0 108.319 -178.793 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . 0.465 ' HA ' ' HD2' ' A' ' 460' ' ' PRO . 42.9 tttm -84.49 116.99 67.65 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-O 120.898 0.38 . . . . 15.0 111.423 -169.568 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . 0.833 ' HG2' ' HB3' ' A' ' 463' ' ' LEU . 9.4 Cg_endo -53.24 145.07 45.72 Favored 'Trans proline' 0 C--N 1.343 0.27 0 C-N-CA 123.589 2.859 . . . . 15.0 112.674 177.733 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 33.2 mm-40 -78.95 -15.84 57.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.309 -0.405 . . . . 15.0 111.661 -178.527 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -88.75 -16.54 31.93 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.395 0.616 . . . . 15.0 110.239 175.511 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . 0.833 ' HB3' ' HG2' ' A' ' 460' ' ' PRO . 31.0 tp -119.88 35.06 4.97 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.147 -1.057 . . . . 15.0 108.147 176.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 85.7 tttt . . . . . 0 C--O 1.245 0.861 0 CA-C-N 114.882 -1.053 . . . . 15.0 110.731 -174.74 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 434' ' ' GLU . . . . . 0.771 ' HG2' HD21 ' A' ' 449' ' ' ASN . 20.7 tt0 . . . . . 0 C--O 1.236 0.362 0 CA-C-O 120.763 0.316 . . . . 15.0 111.272 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 89.7 m95 -117.57 148.45 41.89 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.896 -0.593 . . . . 15.0 111.043 -173.567 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 3.9 m -150.01 145.72 26.59 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.166 -0.679 . . . . 15.0 109.166 171.479 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . 0.419 ' HA ' ' O ' ' A' ' 446' ' ' TYR . 0.7 OUTLIER -112.41 127.65 56.08 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.508 0.671 . . . . 15.0 110.247 179.24 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . 0.52 ' O ' ' HA ' ' A' ' 445' ' ' THR . 98.9 m-85 -115.8 142.79 46.3 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.008 -0.542 . . . . 15.0 110.167 -178.104 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 0.764 ' HZ2' HG23 ' A' ' 445' ' ' THR . 0.0 OUTLIER -89.87 128.51 36.2 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.404 -0.591 . . . . 15.0 109.404 178.347 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 16.4 p -89.58 150.92 22.19 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 115.299 -0.864 . . . . 15.0 110.046 -178.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -47.81 -20.49 0.3 Allowed 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 113.336 0.865 . . . . 15.0 113.336 -178.69 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -81.17 -3.62 52.76 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 121.09 0.471 . . . . 15.0 111.049 177.055 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . 0.441 ' C ' ' HD2' ' A' ' 439' ' ' LYS . . . 90.22 40.31 5.82 Favored Glycine 0 N--CA 1.449 -0.49 0 N-CA-C 114.696 0.639 . . . . 15.0 114.696 171.791 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.759 ' C ' ' HD3' ' A' ' 439' ' ' LYS . 41.6 mmtm -145.32 153.68 41.52 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 117.648 0.724 . . . . 15.0 112.627 173.148 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . 0.764 HG23 ' HZ2' ' A' ' 439' ' ' LYS . 0.6 OUTLIER -92.83 140.58 29.36 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.854 -0.612 . . . . 15.0 111.248 176.701 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . 0.419 ' O ' ' HA ' ' A' ' 437' ' ' GLU . 43.1 p90 -122.23 143.81 49.36 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.603 -0.888 . . . . 15.0 108.603 176.386 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -90.04 114.44 26.32 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-O 121.332 0.587 . . . . 15.0 110.21 -174.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -110.88 122.22 47.32 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.326 -0.852 . . . . 15.0 111.031 -175.362 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.771 HD21 ' HG2' ' A' ' 434' ' ' GLU . 24.3 t-20 -95.26 127.48 41.34 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.339 -0.986 . . . . 15.0 108.339 169.597 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 41.9 m-80 -70.96 -48.23 54.55 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 112.852 0.686 . . . . 15.0 112.852 -172.251 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 77.9 mtm180 -90.48 -1.33 57.89 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 118.604 -1.238 . . . . 15.0 112.612 -171.659 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . 0.605 ' OG1' ' HB3' ' A' ' 449' ' ' ASN . 73.6 p -91.0 -38.48 12.8 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.594 0.711 . . . . 15.0 109.142 159.433 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 453' ' ' ASP . . . . . . . . . . . . . 31.9 t70 72.09 37.33 1.01 Allowed 'General case' 0 C--N 1.343 0.324 0 CA-C-N 113.683 -1.599 . . . . 15.0 109.384 -173.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -101.22 137.12 39.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.496 -0.774 . . . . 15.0 110.876 -179.267 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 18.6 m -106.49 105.44 15.48 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.221 -0.659 . . . . 15.0 109.221 173.249 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 15.3 t -120.87 150.05 41.65 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.87 0.367 . . . . 15.0 110.725 -175.102 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 78.8 m95 -105.16 5.68 32.47 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.106 0.479 . . . . 15.0 110.231 -179.361 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -97.87 134.32 41.17 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.24 -0.652 . . . . 15.0 109.24 177.591 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . 0.962 ' HD3' ' HA ' ' A' ' 464' ' ' LYS . 27.5 ttmt -75.79 118.87 74.21 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.012 0.434 . . . . 15.0 112.061 -173.292 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . 0.5 ' HD2' ' HB3' ' A' ' 463' ' ' LEU . 14.3 Cg_exo -70.28 149.37 63.48 Favored 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 123.418 2.746 . . . . 15.0 111.852 176.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 461' ' ' GLN . . . . . 0.482 ' CD ' ' H ' ' A' ' 461' ' ' GLN . 3.3 pm0 -67.3 -19.16 65.44 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.106 -0.497 . . . . 15.0 112.211 -176.28 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -91.79 -8.16 47.51 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.81 0.338 . . . . 15.0 110.827 176.702 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . 0.5 ' HB3' ' HD2' ' A' ' 460' ' ' PRO . 32.1 tp -119.81 9.11 11.25 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.25 -0.432 . . . . 15.0 110.948 -176.259 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . 0.962 ' HA ' ' HD3' ' A' ' 459' ' ' LYS . 1.1 pptp? . . . . . 0 C--O 1.248 0.994 0 CA-C-O 119.089 -0.482 . . . . 15.0 112.059 -177.425 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 . . . . . 0 N--CA 1.455 -0.218 0 CA-C-O 120.868 0.366 . . . . 15.0 110.391 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 92.0 m95 -107.58 112.39 25.1 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.526 -0.761 . . . . 15.0 109.78 177.154 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 8.9 m -110.86 149.55 30.44 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.235 -0.439 . . . . 15.0 110.494 -178.598 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . 0.405 ' HG2' ' CE1' ' A' ' 447' ' ' TYR . 40.1 mt-10 -103.1 134.74 46.02 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.236 -0.438 . . . . 15.0 111.045 -179.572 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . 0.48 ' O ' ' HA ' ' A' ' 445' ' ' THR . 72.6 m-85 -128.57 124.84 36.97 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.867 -0.79 . . . . 15.0 108.867 171.549 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 0.801 ' HD3' ' C ' ' A' ' 444' ' ' LYS . 4.9 tppp? -89.79 121.99 32.45 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.996 0.427 . . . . 15.0 110.072 -177.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 3.3 p -89.85 150.42 22.23 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.786 -0.643 . . . . 15.0 110.12 178.011 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -48.41 -19.56 0.32 Allowed 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 114.263 1.209 . . . . 15.0 114.263 -175.216 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -74.33 -4.28 35.37 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.167 0.508 . . . . 15.0 110.381 177.436 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.2 37.38 6.71 Favored Glycine 0 N--CA 1.445 -0.705 0 CA-C-N 115.617 -0.72 . . . . 15.0 114.302 172.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.801 ' C ' ' HD3' ' A' ' 439' ' ' LYS . 29.8 mtmm -152.1 156.98 40.95 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 117.247 0.523 . . . . 15.0 112.299 173.011 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . 0.496 ' N ' ' HD3' ' A' ' 439' ' ' LYS . 18.9 p -92.54 139.01 31.02 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.717 -0.674 . . . . 15.0 111.304 177.77 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . 0.409 ' CE1' ' HB2' ' A' ' 438' ' ' TYR . 53.3 p90 -103.81 140.14 38.06 Favored 'General case' 0 N--CA 1.446 -0.641 0 N-CA-C 108.197 -1.038 . . . . 15.0 108.197 169.272 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . 0.405 ' CE1' ' HG2' ' A' ' 437' ' ' GLU . 53.4 m-85 -89.81 118.38 29.35 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-O 121.536 0.684 . . . . 15.0 110.712 -173.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 36.9 t80 -112.89 117.92 33.45 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 114.86 -1.063 . . . . 15.0 110.001 -175.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.501 ' HB3' ' OG1' ' A' ' 452' ' ' THR . 22.9 t-20 -90.07 129.56 36.36 Favored 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 108.525 -0.917 . . . . 15.0 108.525 174.442 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 52.5 m-80 -78.41 -46.51 19.68 Favored 'General case' 0 C--N 1.311 -1.07 0 N-CA-C 112.466 0.543 . . . . 15.0 112.466 -174.363 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 22.0 mtm180 -90.78 -1.66 57.84 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 118.409 -1.316 . . . . 15.0 113.017 -172.008 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . 0.501 ' OG1' ' HB3' ' A' ' 449' ' ' ASN . 73.0 p -91.55 -38.54 12.44 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 122.027 0.918 . . . . 15.0 109.184 159.016 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 453' ' ' ASP . . . . . . . . . . . . . 19.6 t70 69.47 71.46 0.25 Allowed 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 112.887 -1.961 . . . . 15.0 109.946 -171.181 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . 0.44 ' HG2' ' OG1' ' A' ' 452' ' ' THR . 12.3 pt-20 -144.32 149.97 37.07 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.476 -0.784 . . . . 15.0 111.099 179.616 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 8.9 m -116.84 117.04 28.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.066 -0.515 . . . . 15.0 110.347 177.017 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 9.9 t -133.07 146.4 51.64 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 110.211 -0.292 . . . . 15.0 110.211 -179.753 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 90.4 m95 -92.16 -3.61 55.37 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.871 0.367 . . . . 15.0 111.024 -179.667 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -92.09 143.3 26.6 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.82 -0.437 . . . . 15.0 109.82 178.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . 0.504 ' HE2' ' O ' ' A' ' 463' ' ' LEU . 64.2 tttt -74.31 120.56 82.04 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-N 116.158 -0.474 . . . . 15.0 111.226 -173.712 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . 0.582 ' HG2' ' HB3' ' A' ' 463' ' ' LEU . 6.8 Cg_endo -51.82 144.56 34.69 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 123.93 3.086 . . . . 15.0 112.819 176.632 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 461' ' ' GLN . . . . . 0.511 ' H ' ' NE2' ' A' ' 461' ' ' GLN . 0.3 OUTLIER -64.81 -21.68 66.83 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 116.118 -0.492 . . . . 15.0 111.889 -178.869 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -88.43 -2.07 58.4 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.409 -0.359 . . . . 15.0 111.331 179.181 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . 0.582 ' HB3' ' HG2' ' A' ' 460' ' ' PRO . 54.5 tp -120.29 3.21 10.85 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 111.639 0.237 . . . . 15.0 111.639 -177.61 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . 0.462 ' HD2' ' HD3' ' A' ' 459' ' ' LYS . 13.9 mmmm . . . . . 0 C--O 1.251 1.151 0 CA-C-O 117.959 -1.02 . . . . 15.0 111.664 -175.341 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 . . . . . 0 CA--C 1.537 0.455 0 N-CA-C 113.081 0.771 . . . . 15.0 113.081 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 89.1 m95 -103.56 129.23 50.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.763 0.316 . . . . 15.0 110.821 -179.283 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 3.9 m -120.91 145.84 47.25 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.753 -0.462 . . . . 15.0 109.753 175.357 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -111.38 130.05 55.81 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.411 0.624 . . . . 15.0 111.081 -177.545 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 84.6 m-85 -125.45 144.28 50.6 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.588 -0.733 . . . . 15.0 109.63 179.015 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 0.809 ' HD2' ' N ' ' A' ' 444' ' ' LYS . 0.0 OUTLIER -105.87 136.97 44.56 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.015 0.436 . . . . 15.0 110.965 -178.855 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 14.1 p -89.84 150.21 22.33 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.637 -0.711 . . . . 15.0 109.471 172.399 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -66.02 -1.68 3.33 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 113.261 0.838 . . . . 15.0 113.261 -171.624 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 30.5 p-10 -96.02 5.32 51.44 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.98 0.419 . . . . 15.0 110.629 179.384 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.07 51.23 2.85 Favored Glycine 0 N--CA 1.452 -0.292 0 CA-C-N 115.953 -0.567 . . . . 15.0 113.016 175.338 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.809 ' N ' ' HD2' ' A' ' 439' ' ' LYS . 23.0 mtmm -150.93 130.84 13.3 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 115.023 1.49 . . . . 15.0 115.023 178.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . 0.406 ' HA ' ' HA ' ' A' ' 439' ' ' LYS . 0.2 OUTLIER -98.47 150.18 21.93 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-O 121.078 0.466 . . . . 15.0 110.62 175.605 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . 0.444 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 55.0 p90 -139.31 145.11 38.69 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.508 -0.769 . . . . 15.0 109.25 -179.717 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -102.79 120.37 40.46 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.458 0.647 . . . . 15.0 111.02 -173.563 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 39.9 t80 -110.04 122.13 46.88 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.034 -0.985 . . . . 15.0 110.33 -179.501 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.671 ' HB3' ' OG1' ' A' ' 452' ' ' THR . 23.3 t-20 -89.93 128.03 36.14 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.868 -0.79 . . . . 15.0 108.868 173.752 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 44.8 m-80 -73.18 -43.32 61.61 Favored 'General case' 0 C--N 1.314 -0.938 0 N-CA-C 112.472 0.545 . . . . 15.0 112.472 -175.173 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 65.0 mtm180 -90.18 -1.9 58.0 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 118.61 -1.236 . . . . 15.0 112.416 -172.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . 0.671 ' OG1' ' HB3' ' A' ' 449' ' ' ASN . 68.9 p -91.55 -40.31 11.43 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.486 0.66 . . . . 15.0 109.718 159.47 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 453' ' ' ASP . . . . . . . . . . . . . 33.1 t70 75.52 37.46 0.43 Allowed 'General case' 0 C--N 1.344 0.335 0 CA-C-N 113.455 -1.702 . . . . 15.0 109.551 -172.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . 0.611 ' HG2' ' OG1' ' A' ' 452' ' ' THR . 14.0 pt-20 -117.96 137.5 52.8 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.885 -0.598 . . . . 15.0 111.015 178.535 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 17.0 p -112.22 118.66 35.92 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.963 -0.562 . . . . 15.0 110.078 176.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 9.0 t -130.4 150.06 51.79 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.983 0.42 . . . . 15.0 111.145 -176.166 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.541 ' HZ3' ' HB3' ' A' ' 444' ' ' LYS . 56.8 m95 -90.58 -2.22 57.88 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.279 0.561 . . . . 15.0 109.643 177.664 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -93.67 141.01 28.97 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.307 -0.861 . . . . 15.0 109.399 -176.012 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . 0.74 ' HD3' ' HA ' ' A' ' 464' ' ' LYS . 19.9 ttmm -75.69 119.02 75.21 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-O 120.968 0.413 . . . . 15.0 111.934 -173.431 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 459' ' ' LYS . 15.7 Cg_exo -69.1 149.3 70.95 Favored 'Trans proline' 0 C--N 1.343 0.258 0 C-N-CA 123.021 2.481 . . . . 15.0 111.306 175.242 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 59.3 tp60 -61.26 -32.46 72.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.52 -0.309 . . . . 15.0 111.525 -177.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -73.05 -11.77 60.67 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.996 0.427 . . . . 15.0 111.06 178.608 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 22.1 tp -119.99 22.54 11.44 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.137 0.494 . . . . 15.0 109.892 -179.036 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . 0.74 ' HA ' ' HD3' ' A' ' 459' ' ' LYS . 51.4 tptt . . . . . 0 C--O 1.251 1.155 0 CA-C-N 115.599 -0.728 . . . . 15.0 110.674 177.584 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 434' ' ' GLU . . . . . 0.441 ' O ' ' HA ' ' A' ' 449' ' ' ASN . 13.5 pt-20 . . . . . 0 CA--C 1.52 -0.175 0 CA-C-O 121.101 0.477 . . . . 15.0 110.746 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 94.0 m95 -107.02 124.19 49.28 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.518 -0.765 . . . . 15.0 109.837 175.325 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 2.8 m -122.22 144.68 48.82 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.217 -0.66 . . . . 15.0 109.217 174.282 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -95.77 150.11 20.76 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 121.48 0.657 . . . . 15.0 109.362 178.276 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -137.24 150.12 47.63 Favored 'General case' 0 C--N 1.305 -1.342 0 CA-C-N 114.702 -1.136 . . . . 15.0 108.129 178.465 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 0.935 ' HD2' ' H ' ' A' ' 444' ' ' LYS . 0.1 OUTLIER -119.25 136.18 54.34 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.007 0.432 . . . . 15.0 111.618 -173.585 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . 0.56 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 21.9 p -89.81 150.27 22.32 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.671 -0.695 . . . . 15.0 109.462 172.041 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -58.12 -14.96 7.86 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 113.572 0.953 . . . . 15.0 113.572 -172.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -89.78 0.63 56.89 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 122.078 -0.389 . . . . 15.0 111.481 -179.307 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.91 73.58 1.27 Allowed Glycine 0 C--O 1.23 -0.112 0 C-N-CA 120.757 -0.735 . . . . 15.0 112.383 177.09 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.935 ' H ' ' HD2' ' A' ' 439' ' ' LYS . 37.9 mttp -154.99 129.45 9.1 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 115.641 1.719 . . . . 15.0 115.641 -176.379 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 5.4 p -90.21 138.22 31.7 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 115.642 -0.708 . . . . 15.0 111.615 176.34 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 50.8 p90 -146.22 138.67 25.32 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 108.666 -0.864 . . . . 15.0 108.666 170.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 53.9 m-85 -105.26 126.31 51.96 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.376 0.607 . . . . 15.0 111.393 -170.122 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . 0.731 ' CD2' ' HB3' ' A' ' 455' ' ' SER . 19.0 t80 -111.92 124.43 52.35 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.024 -0.989 . . . . 15.0 109.734 -177.204 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.693 ' HB3' ' OG1' ' A' ' 452' ' ' THR . 20.4 t-20 -96.79 125.71 41.43 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 108.496 -0.927 . . . . 15.0 108.496 174.43 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 59.5 m-80 -74.6 -43.2 56.71 Favored 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 112.551 0.575 . . . . 15.0 112.551 -172.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 61.5 mtm180 -89.84 -2.05 58.12 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 118.994 -1.082 . . . . 15.0 112.604 -173.631 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . 0.693 ' OG1' ' HB3' ' A' ' 449' ' ' ASN . 77.2 p -91.16 -35.37 14.59 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.503 0.668 . . . . 15.0 109.207 159.211 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 453' ' ' ASP . . . . . . . . . . . . . 35.5 t70 76.17 25.14 1.07 Allowed 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 113.363 -1.744 . . . . 15.0 110.011 -175.186 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . 0.645 ' HG2' ' OG1' ' A' ' 452' ' ' THR . 10.5 pt-20 -114.35 144.94 42.46 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.164 0.507 . . . . 15.0 111.18 -177.443 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . 0.731 ' HB3' ' CD2' ' A' ' 448' ' ' TYR . 22.1 p -117.05 126.87 53.52 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.796 -0.638 . . . . 15.0 110.278 176.843 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 12.5 t -128.02 150.08 50.08 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.017 0.437 . . . . 15.0 110.688 -179.598 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.447 ' HZ3' ' HB3' ' A' ' 444' ' ' LYS . 74.9 m95 -92.39 -1.43 57.03 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.317 0.58 . . . . 15.0 110.152 178.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -90.57 148.42 22.7 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.574 -0.739 . . . . 15.0 109.651 178.523 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 59.8 tttp -80.81 114.54 49.1 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-N 116.559 -0.291 . . . . 15.0 110.232 -179.234 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_exo -59.57 148.63 86.52 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 123.668 2.912 . . . . 15.0 113.033 -176.37 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 461' ' ' GLN . . . . . 0.48 ' HA ' ' HB2' ' A' ' 464' ' ' LYS . 9.5 mm100 -63.52 -30.68 71.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.833 -0.621 . . . . 15.0 111.693 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -78.6 -6.73 56.4 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.128 0.49 . . . . 15.0 110.825 178.645 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . 0.434 ' O ' ' HG ' ' A' ' 463' ' ' LEU . 34.4 tp -120.0 9.65 11.27 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.694 -0.684 . . . . 15.0 109.317 178.171 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . 0.48 ' HB2' ' HA ' ' A' ' 461' ' ' GLN . 16.3 tptp . . . . . 0 C--O 1.248 1.002 0 CA-C-N 115.627 -0.715 . . . . 15.0 111.342 -171.349 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 434' ' ' GLU . . . . . 0.479 ' O ' ' HA ' ' A' ' 449' ' ' ASN . 56.9 mm-40 . . . . . 0 CA--C 1.532 0.26 0 N-CA-C 113.35 0.87 . . . . 15.0 113.35 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.427 ' CD2' ' HB2' ' A' ' 449' ' ' ASN . 79.0 m95 -101.64 126.95 48.56 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.981 0.42 . . . . 15.0 111.378 -172.3 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 6.4 m -118.77 148.0 43.29 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.299 -0.41 . . . . 15.0 110.026 176.002 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . 0.441 ' HG2' ' CE1' ' A' ' 447' ' ' TYR . 46.3 mt-10 -91.63 132.81 36.07 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.44 -0.345 . . . . 15.0 111.32 -179.279 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . 0.484 ' O ' ' HA ' ' A' ' 445' ' ' THR . 87.9 m-85 -129.6 128.65 43.11 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.342 -0.614 . . . . 15.0 109.342 172.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 0.783 ' HD3' ' C ' ' A' ' 444' ' ' LYS . 4.4 tppp? -96.64 131.75 42.98 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.139 0.495 . . . . 15.0 111.041 -174.116 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 9.0 p -89.93 150.55 22.12 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.686 -0.688 . . . . 15.0 109.381 174.639 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -53.66 -16.06 1.47 Allowed 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 113.931 1.085 . . . . 15.0 113.931 -171.738 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . 0.447 ' OD2' ' HE2' ' A' ' 444' ' ' LYS . 9.3 p-10 -81.15 0.75 34.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.201 0.524 . . . . 15.0 110.257 177.72 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . 0.48 ' C ' ' HD2' ' A' ' 439' ' ' LYS . . . 90.24 40.12 5.86 Favored Glycine 0 N--CA 1.449 -0.498 0 CA-C-N 115.574 -0.739 . . . . 15.0 114.323 170.303 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.783 ' C ' ' HD3' ' A' ' 439' ' ' LYS . 35.0 mtmt -148.69 150.76 33.74 Favored 'General case' 0 N--CA 1.468 0.475 0 N-CA-C 113.239 0.829 . . . . 15.0 113.239 173.472 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . 0.504 ' N ' ' HD3' ' A' ' 439' ' ' LYS . 2.0 p -97.33 141.97 29.77 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.497 -0.774 . . . . 15.0 112.237 -178.752 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 53.3 p90 -111.5 143.62 42.06 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.759 -0.83 . . . . 15.0 108.759 169.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . 0.441 ' CE1' ' HG2' ' A' ' 437' ' ' GLU . 42.3 m-85 -90.01 118.25 29.42 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.894 0.378 . . . . 15.0 110.646 -174.566 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 32.9 t80 -114.12 119.56 37.53 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.596 -0.729 . . . . 15.0 110.452 -175.476 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.571 ' HB3' ' OG1' ' A' ' 452' ' ' THR . 35.0 t-20 -94.5 133.62 37.92 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.697 -0.853 . . . . 15.0 108.697 175.388 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 50.7 m-80 -73.45 -53.94 9.47 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 112.964 0.727 . . . . 15.0 112.964 -174.721 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 38.8 mtm180 -90.17 -1.01 57.89 Favored 'General case' 0 N--CA 1.462 0.131 0 C-N-CA 118.729 -1.189 . . . . 15.0 112.469 -171.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . 0.579 ' OG1' ' HG2' ' A' ' 454' ' ' GLU . 71.4 p -91.14 -36.98 13.66 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.725 -0.843 . . . . 15.0 108.725 159.083 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 453' ' ' ASP . . . . . . . . . . . . . 13.5 t70 68.47 45.95 1.08 Allowed 'General case' 0 C--N 1.338 0.099 0 CA-C-N 113.76 -1.564 . . . . 15.0 110.025 -178.163 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . 0.579 ' HG2' ' OG1' ' A' ' 452' ' ' THR . 13.1 pt-20 -129.88 144.82 51.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.523 -0.762 . . . . 15.0 110.747 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 48.5 p -112.18 123.54 50.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.972 -0.558 . . . . 15.0 110.544 178.479 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 10.0 t -119.86 150.11 40.98 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.084 0.469 . . . . 15.0 110.313 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 88.1 m95 -100.54 -1.44 35.57 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.967 -0.56 . . . . 15.0 110.377 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -109.82 150.84 27.79 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.828 -0.624 . . . . 15.0 109.364 175.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -59.24 130.18 86.93 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.345 0.593 . . . . 15.0 112.599 -175.222 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -61.09 150.25 85.22 Favored 'Trans proline' 0 C--O 1.234 0.281 0 C-N-CA 123.56 2.84 . . . . 15.0 111.969 174.669 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 461' ' ' GLN . . . . . 0.492 ' OE1' ' HE3' ' A' ' 464' ' ' LYS . 18.6 mm-40 -56.07 -32.55 64.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 15.0 111.66 -177.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -80.41 -10.16 59.75 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.321 -0.4 . . . . 15.0 111.835 -179.416 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 29.5 tp -106.17 0.2 25.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.121 0.486 . . . . 15.0 110.666 -177.186 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . 0.492 ' HE3' ' OE1' ' A' ' 461' ' ' GLN . 2.2 pptp? . . . . . 0 C--O 1.248 0.983 0 CA-C-O 118.463 -0.78 . . . . 15.0 110.037 178.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.714 0 N-CA-C 111.663 -0.575 . . . . 15.0 111.663 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -85.07 171.56 11.96 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.205 0.526 . . . . 15.0 111.578 -177.015 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 9.3 p -134.55 143.82 47.62 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.556 -0.747 . . . . 15.0 110.873 178.006 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . 57.09 86.93 0.07 Allowed 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 113.491 0.923 . . . . 15.0 113.491 177.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . 0.93 HG23 HD13 ' A' ' 463' ' ' LEU . 76.3 t -103.29 96.56 4.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 N-CA-C 109.635 -0.505 . . . . 15.0 109.635 171.513 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 95.6 p 51.94 -120.79 1.72 Allowed 'General case' 0 N--CA 1.462 0.144 0 CA-C-O 122.036 0.922 . . . . 15.0 111.826 175.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -46.53 -27.64 1.18 Allowed 'General case' 0 C--N 1.291 -1.959 0 CA-C-N 113.251 -1.795 . . . . 15.0 113.357 177.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 92.5 m95 -100.35 128.96 46.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.907 0.384 . . . . 15.0 111.051 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 4.0 m -144.24 145.44 32.05 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 109.388 -0.597 . . . . 15.0 109.388 172.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . 0.549 ' HB3' ' CD1' ' A' ' 447' ' ' TYR . 1.4 pm0 -122.41 144.05 49.29 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.254 0.549 . . . . 15.0 111.321 -179.304 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . 0.421 ' O ' ' HA ' ' A' ' 445' ' ' THR . 58.2 m-85 -124.91 141.58 52.03 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.517 -0.765 . . . . 15.0 108.984 176.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 0.795 ' HD3' ' C ' ' A' ' 444' ' ' LYS . 5.2 tppp? -89.94 128.96 36.34 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.096 0.474 . . . . 15.0 110.016 179.344 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 26.8 p -89.64 150.71 22.25 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.464 -0.789 . . . . 15.0 109.896 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -44.89 -29.89 0.9 Allowed 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 113.622 0.971 . . . . 15.0 113.622 -176.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -73.96 -0.44 16.21 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 120.956 0.407 . . . . 15.0 111.099 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . 0.485 ' C ' ' HD2' ' A' ' 439' ' ' LYS . . . 90.24 37.61 6.62 Favored Glycine 0 N--CA 1.445 -0.712 0 CA-C-N 115.872 -0.604 . . . . 15.0 113.959 171.456 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.795 ' C ' ' HD3' ' A' ' 439' ' ' LYS . 39.0 mttp -148.06 150.69 34.38 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 113.2 0.815 . . . . 15.0 113.2 176.527 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . 0.499 ' N ' ' HD3' ' A' ' 439' ' ' LYS . 1.3 p -93.09 141.19 28.69 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.613 -0.721 . . . . 15.0 112.16 -179.206 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 44.4 p90 -113.99 133.49 55.46 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.018 -0.734 . . . . 15.0 109.018 170.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . 0.549 ' CD1' ' HB3' ' A' ' 437' ' ' GLU . 55.3 m-85 -97.15 116.85 30.11 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.321 -0.854 . . . . 15.0 110.345 -172.759 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -110.62 123.67 50.42 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.216 -0.902 . . . . 15.0 110.183 -173.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.548 ' HB3' ' OG1' ' A' ' 452' ' ' THR . 23.8 t-20 -99.49 125.38 45.22 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 108.492 -0.929 . . . . 15.0 108.492 171.75 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 45.8 m-80 -74.62 -45.08 47.31 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 113.134 0.79 . . . . 15.0 113.134 -171.307 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 15.2 mtm180 -90.31 -1.76 57.95 Favored 'General case' 0 C--N 1.333 -0.138 0 C-N-CA 118.249 -1.38 . . . . 15.0 112.334 -173.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . 0.548 ' OG1' ' HB3' ' A' ' 449' ' ' ASN . 69.2 p -91.46 -36.54 13.7 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.268 -0.641 . . . . 15.0 109.268 158.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 453' ' ' ASP . . . . . . . . . . . . . 32.4 t70 78.57 20.94 0.81 Allowed 'General case' 0 C--N 1.343 0.317 0 CA-C-N 113.71 -1.586 . . . . 15.0 109.804 -174.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -94.54 149.93 20.75 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.158 -0.474 . . . . 15.0 110.786 -175.077 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 13.0 m -124.62 116.14 21.93 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.001 -0.545 . . . . 15.0 109.932 176.065 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 11.2 t -127.49 149.94 49.89 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.413 -0.358 . . . . 15.0 110.241 -177.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 81.3 m95 -94.29 6.5 48.47 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.03 0.443 . . . . 15.0 110.784 -177.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -102.92 140.11 37.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.968 -0.56 . . . . 15.0 109.917 176.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . 1.016 ' HE3' ' HG ' ' A' ' 463' ' ' LEU . 45.0 tptt -69.78 119.0 68.46 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 115.716 -0.675 . . . . 15.0 110.29 -177.583 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.67 ' HG2' ' HB3' ' A' ' 463' ' ' LEU . 5.7 Cg_endo -51.92 143.96 37.78 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 123.4 2.733 . . . . 15.0 112.245 176.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . 0.438 ' H ' ' HG3' ' A' ' 461' ' ' GLN . 1.1 pp0? -74.19 -10.46 59.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.991 0.424 . . . . 15.0 112.116 -176.508 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -86.3 -11.22 52.81 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.207 0.527 . . . . 15.0 110.409 171.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 1.016 ' HG ' ' HE3' ' A' ' 459' ' ' LYS . 29.5 tp -119.98 0.34 10.76 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.532 -0.758 . . . . 15.0 110.323 -175.773 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . 0.454 ' CE ' ' HB3' ' A' ' 459' ' ' LYS . 40.5 ttmt . . . . . 0 C--O 1.25 1.122 0 CA-C-O 118.338 -0.839 . . . . 15.0 109.91 -178.291 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.637 0 N-CA-C 112.185 -0.366 . . . . 15.0 112.185 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -95.21 113.24 24.9 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.997 -0.372 . . . . 15.0 109.997 175.374 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 6.7 m -83.69 -19.21 35.71 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.124 -0.489 . . . . 15.0 111.533 -175.434 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -173.83 122.43 0.33 Allowed 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.436 -0.802 . . . . 15.0 110.525 -178.06 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 88.5 t 72.48 135.91 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 O-C-N 123.766 0.666 . . . . 15.0 111.27 177.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 20.0 m 72.62 15.59 4.92 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-O 122.085 0.945 . . . . 15.0 109.566 -178.191 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -89.95 -12.18 39.54 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 114.141 -1.39 . . . . 15.0 110.483 -179.228 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 70.2 m95 -94.26 118.42 31.56 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.572 -0.74 . . . . 15.0 109.567 176.316 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 2.6 m -115.35 144.91 43.07 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 116.259 -0.428 . . . . 15.0 110.523 -177.199 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -96.01 132.3 41.5 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.076 0.465 . . . . 15.0 110.756 -179.061 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . 0.509 ' O ' ' HA ' ' A' ' 445' ' ' THR . 94.1 m-85 -129.88 131.81 46.2 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.591 -0.731 . . . . 15.0 109.233 173.624 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 0.795 ' HD3' ' C ' ' A' ' 444' ' ' LYS . 4.2 tppp? -92.15 130.53 37.85 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.186 0.517 . . . . 15.0 110.811 -174.775 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 8.2 p -89.62 150.79 22.22 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.19 -0.914 . . . . 15.0 109.822 178.612 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -46.34 -26.34 0.81 Allowed 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 113.649 0.981 . . . . 15.0 113.649 -175.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . 0.418 ' OD2' ' HG2' ' A' ' 444' ' ' LYS . 1.5 p-10 -75.06 -5.23 43.0 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 121.243 0.544 . . . . 15.0 110.529 179.008 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . 0.571 ' O ' ' HD3' ' A' ' 444' ' ' LYS . . . 90.26 41.28 5.55 Favored Glycine 0 N--CA 1.444 -0.807 0 CA-C-N 115.573 -0.74 . . . . 15.0 114.291 174.241 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.795 ' C ' ' HD3' ' A' ' 439' ' ' LYS . 34.2 mmtm -141.8 150.51 41.77 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 118.013 0.906 . . . . 15.0 112.489 172.191 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . 0.537 ' N ' ' HD3' ' A' ' 439' ' ' LYS . 22.2 p -92.78 135.22 34.31 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 121.116 0.484 . . . . 15.0 111.508 177.114 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 55.5 p90 -103.72 147.67 26.98 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 108.695 -0.854 . . . . 15.0 108.695 172.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . 0.402 ' CE2' ' HG3' ' A' ' 459' ' ' LYS . 29.1 m-85 -94.64 112.17 23.92 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 121.45 0.643 . . . . 15.0 110.404 -174.47 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . 0.405 ' CE1' ' HA ' ' A' ' 453' ' ' ASP . 52.8 t80 -107.71 122.04 45.92 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.134 -0.939 . . . . 15.0 110.967 -176.639 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.578 ' HB3' ' OG1' ' A' ' 452' ' ' THR . 26.6 t-20 -92.16 137.08 32.66 Favored 'General case' 0 CA--C 1.513 -0.468 0 N-CA-C 109.153 -0.684 . . . . 15.0 109.153 173.256 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 25.8 m-80 -77.11 -45.93 25.27 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 113.258 0.836 . . . . 15.0 113.258 -173.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 33.5 mtm105 -90.26 -1.72 57.95 Favored 'General case' 0 C--O 1.233 0.194 0 C-N-CA 118.239 -1.384 . . . . 15.0 112.142 -172.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . 0.578 ' OG1' ' HB3' ' A' ' 449' ' ' ASN . 45.3 p -91.83 -39.12 11.94 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.351 0.595 . . . . 15.0 110.231 159.177 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 453' ' ' ASP . . . . . 0.405 ' HA ' ' CE1' ' A' ' 448' ' ' TYR . 32.9 t70 69.44 37.9 1.91 Allowed 'General case' 0 C--N 1.341 0.204 0 CA-C-N 113.979 -1.464 . . . . 15.0 108.736 -169.138 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -100.17 147.32 25.83 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.666 -0.697 . . . . 15.0 110.815 -176.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 35.1 t -119.01 110.57 17.26 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.962 -0.563 . . . . 15.0 109.731 175.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 14.8 t -137.63 150.06 47.1 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.216 -0.447 . . . . 15.0 110.016 -178.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 69.8 m95 -98.12 9.77 42.1 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.19 0.519 . . . . 15.0 110.118 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -101.12 121.18 41.35 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.194 -1.039 . . . . 15.0 108.194 -177.347 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . 0.52 ' HA ' ' HD2' ' A' ' 460' ' ' PRO . 28.8 mttm -58.42 120.53 45.22 Favored Pre-proline 0 N--CA 1.465 0.286 0 N-CA-C 113.321 0.859 . . . . 15.0 113.321 -173.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.858 ' HG2' ' HB3' ' A' ' 463' ' ' LEU . 19.5 Cg_endo -59.59 150.15 77.96 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 123.35 2.7 . . . . 15.0 111.328 171.182 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -61.93 -12.7 19.41 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.657 0.614 . . . . 15.0 112.657 -176.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -96.72 -21.68 17.43 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.773 0.321 . . . . 15.0 111.165 178.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.858 ' HB3' ' HG2' ' A' ' 460' ' ' PRO . 35.8 tp -120.22 21.96 11.55 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.146 0.498 . . . . 15.0 110.339 -174.588 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . 0.512 ' HA ' ' HD3' ' A' ' 459' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.934 0 CA-C-O 118.355 -0.831 . . . . 15.0 111.629 -176.669 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.775 0 N-CA-C 112.074 -0.41 . . . . 15.0 112.074 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -86.7 136.39 33.04 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 110.086 -0.338 . . . . 15.0 110.086 178.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 9.1 t -134.02 25.14 3.93 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 120.948 0.404 . . . . 15.0 110.727 -177.023 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . 0.449 ' O ' ' HB ' ' A' ' 432' ' ' VAL . . . -158.21 119.16 3.43 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 116.381 -0.372 . . . . 15.0 110.997 -178.005 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . 0.449 ' HB ' ' O ' ' A' ' 431' ' ' ALA . 86.9 t 83.66 139.35 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.449 0 CA-C-N 115.127 -0.942 . . . . 15.0 111.442 174.772 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 37.6 t 76.05 13.74 2.65 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 115.098 -0.955 . . . . 15.0 110.361 -179.6 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -90.15 -13.57 35.38 Favored 'General case' 0 C--N 1.309 -1.166 0 CA-C-N 114.407 -1.27 . . . . 15.0 109.912 177.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 86.9 m95 -99.41 139.62 34.8 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.076 -0.965 . . . . 15.0 109.786 178.234 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 2.7 m -128.88 144.48 51.19 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 109.93 -0.396 . . . . 15.0 109.93 177.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -103.93 118.7 37.3 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.603 -0.517 . . . . 15.0 109.603 -178.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 -114.19 140.64 48.37 Favored 'General case' 0 C--N 1.31 -1.143 0 CA-C-N 115.841 -0.618 . . . . 15.0 110.282 -179.172 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 0.844 ' HD2' ' N ' ' A' ' 444' ' ' LYS . 3.8 tppp? -101.5 133.08 46.7 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.873 0.368 . . . . 15.0 110.225 176.624 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . 0.462 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 23.9 p -89.63 150.26 22.45 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.072 -0.513 . . . . 15.0 109.877 175.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -50.82 -28.28 9.08 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 113.256 0.836 . . . . 15.0 113.256 -175.253 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -82.43 3.8 26.69 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.699 0.285 . . . . 15.0 111.31 -176.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.21 65.09 1.22 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 121.187 -0.53 . . . . 15.0 112.925 174.036 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.844 ' N ' ' HD2' ' A' ' 439' ' ' LYS . 44.8 mttt -156.02 131.54 9.58 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 114.757 1.392 . . . . 15.0 114.757 -178.063 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . 0.617 HG23 ' HE3' ' A' ' 439' ' ' LYS . 0.4 OUTLIER -97.4 144.09 27.49 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-O 120.683 0.278 . . . . 15.0 111.028 176.923 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 25.4 p90 -146.99 150.13 34.52 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.208 -0.664 . . . . 15.0 109.208 -179.63 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 74.8 m-85 -103.86 120.31 40.72 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.445 0.64 . . . . 15.0 111.235 -173.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . 0.46 ' CE1' ' HA ' ' A' ' 453' ' ' ASP . 48.0 t80 -112.61 123.78 51.07 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.046 -0.979 . . . . 15.0 110.321 -178.618 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.674 ' HB3' ' OG1' ' A' ' 452' ' ' THR . 23.7 t-20 -89.84 126.61 35.76 Favored 'General case' 0 CA--C 1.507 -0.691 0 N-CA-C 108.641 -0.874 . . . . 15.0 108.641 173.213 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 -71.99 -42.95 65.85 Favored 'General case' 0 C--N 1.314 -0.974 0 N-CA-C 112.491 0.552 . . . . 15.0 112.491 -173.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 49.0 mtm180 -90.49 -1.74 57.9 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 118.515 -1.274 . . . . 15.0 112.53 -173.332 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . 0.674 ' OG1' ' HB3' ' A' ' 449' ' ' ASN . 44.1 p -91.82 -40.25 11.31 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.383 0.611 . . . . 15.0 109.687 159.761 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 453' ' ' ASP . . . . . 0.46 ' HA ' ' CE1' ' A' ' 448' ' ' TYR . 31.6 t70 72.74 34.4 1.18 Allowed 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 113.49 -1.686 . . . . 15.0 109.189 -168.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . 0.574 ' HG2' ' OG1' ' A' ' 452' ' ' THR . 9.9 pt-20 -111.06 136.73 49.65 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.944 -0.571 . . . . 15.0 110.742 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 14.1 p -106.84 127.37 53.35 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.917 -0.583 . . . . 15.0 110.334 178.168 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 14.4 t -135.2 150.06 50.04 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.063 0.459 . . . . 15.0 110.85 -178.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 75.0 m95 -89.75 -1.94 58.13 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.129 0.49 . . . . 15.0 110.205 177.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -84.39 141.25 30.99 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.437 -0.801 . . . . 15.0 109.234 173.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . 0.51 ' HE2' ' O ' ' A' ' 463' ' ' LEU . 75.0 tttt -85.87 120.28 72.57 Favored Pre-proline 0 C--N 1.318 -0.763 0 N-CA-C 110.0 -0.37 . . . . 15.0 110.0 -177.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.44 ' HD2' ' HA ' ' A' ' 459' ' ' LYS . 10.5 Cg_endo -54.07 141.55 68.34 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.927 2.418 . . . . 15.0 111.318 178.55 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . 0.533 ' HA ' ' HB2' ' A' ' 464' ' ' LYS . 76.0 mt-30 -68.45 -16.86 64.05 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.768 0.318 . . . . 15.0 111.366 -175.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . 0.503 ' OE2' ' HB2' ' A' ' 463' ' ' LEU . 0.1 OUTLIER -84.19 -16.2 44.25 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.249 -0.432 . . . . 15.0 111.088 179.639 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.51 ' O ' ' HE2' ' A' ' 459' ' ' LYS . 18.7 tp -120.04 0.33 10.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.007 -0.542 . . . . 15.0 110.386 177.654 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . 0.533 ' HB2' ' HA ' ' A' ' 461' ' ' GLN . 3.7 tttp . . . . . 0 C--O 1.244 0.801 0 CA-C-O 118.441 -0.79 . . . . 15.0 111.118 -175.461 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.535 0 N-CA-C 112.117 -0.393 . . . . 15.0 112.117 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -68.65 120.52 14.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.709 0.29 . . . . 15.0 110.411 177.02 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 9.3 t -140.83 134.27 29.89 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.196 -0.456 . . . . 15.0 110.86 -176.586 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . 0.494 ' HB2' ' H ' ' A' ' 437' ' ' GLU . . . 66.83 106.42 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 115.486 -0.779 . . . . 15.0 112.448 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . 0.867 HG22 HD13 ' A' ' 463' ' ' LEU . 35.7 m -140.5 124.37 17.71 Favored 'Isoleucine or valine' 0 C--O 1.235 0.331 0 CA-C-O 120.994 0.426 . . . . 15.0 110.524 177.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 8.0 t 65.23 -144.52 0.22 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.709 -0.678 . . . . 15.0 111.213 172.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . 0.455 ' O ' ' HA ' ' A' ' 449' ' ' ASN . 1.3 pm0 -56.4 -26.05 51.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.892 -0.594 . . . . 15.0 112.478 -177.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.446 ' CE3' ' HG3' ' A' ' 460' ' ' PRO . 93.8 m95 -95.78 102.11 13.87 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.371 0.605 . . . . 15.0 110.223 179.112 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 4.0 m -105.24 146.95 28.6 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.7 -0.682 . . . . 15.0 110.401 -177.223 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . 0.588 ' HG3' HD21 ' A' ' 463' ' ' LEU . 47.9 mt-10 -108.92 122.74 47.86 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.011 -0.541 . . . . 15.0 110.862 -179.375 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . 0.495 ' O ' ' HA ' ' A' ' 445' ' ' THR . 98.0 m-85 -117.62 135.26 54.1 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.409 -0.814 . . . . 15.0 109.026 176.347 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 0.677 ' HD3' ' C ' ' A' ' 444' ' ' LYS . 0.0 OUTLIER -89.71 128.1 36.05 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.321 0.582 . . . . 15.0 110.227 -176.263 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 19.7 p -89.84 150.45 22.23 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.263 -0.881 . . . . 15.0 109.428 177.542 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -51.66 -18.33 1.15 Allowed 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 113.483 0.92 . . . . 15.0 113.483 -175.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -84.12 5.28 26.73 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-O 121.188 0.518 . . . . 15.0 110.826 177.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . 0.513 ' O ' ' HG3' ' A' ' 444' ' ' LYS . . . 90.36 37.08 6.74 Favored Glycine 0 N--CA 1.452 -0.267 0 N-CA-C 115.97 1.148 . . . . 15.0 115.97 164.757 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.677 ' C ' ' HD3' ' A' ' 439' ' ' LYS . 2.5 mptt -153.39 166.97 30.96 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 117.522 0.661 . . . . 15.0 111.424 169.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . 0.495 ' HA ' ' O ' ' A' ' 438' ' ' TYR . 15.2 p -95.26 139.09 32.07 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.792 -0.64 . . . . 15.0 111.343 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . 0.466 ' CE1' ' HB2' ' A' ' 438' ' ' TYR . 31.8 p90 -106.4 142.38 36.16 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.803 -0.814 . . . . 15.0 108.803 173.46 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . 0.458 ' CZ ' ' HG3' ' A' ' 459' ' ' LYS . 38.4 m-85 -91.97 116.92 29.33 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 121.245 0.545 . . . . 15.0 110.802 -169.596 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . 0.522 ' HD1' ' HB3' ' A' ' 455' ' ' SER . 31.8 t80 -124.85 121.8 35.57 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.394 -0.821 . . . . 15.0 110.631 -172.348 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.625 ' HB3' ' OG1' ' A' ' 452' ' ' THR . 41.5 t-20 -93.15 123.62 36.54 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 108.128 -1.064 . . . . 15.0 108.128 173.294 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 54.2 m-80 -74.36 -42.36 59.47 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 112.695 0.628 . . . . 15.0 112.695 -171.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 39.8 mtm-85 -90.24 -1.71 57.96 Favored 'General case' 0 C--N 1.333 -0.114 0 C-N-CA 118.073 -1.451 . . . . 15.0 112.24 -174.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . 0.625 ' OG1' ' HB3' ' A' ' 449' ' ' ASN . 76.2 p -91.63 -37.43 13.07 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.282 0.563 . . . . 15.0 109.484 159.423 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 453' ' ' ASP . . . . . . . . . . . . . 19.2 t70 78.09 24.65 0.67 Allowed 'General case' 0 C--N 1.343 0.301 0 CA-C-N 113.653 -1.612 . . . . 15.0 109.843 -175.01 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -97.73 147.51 24.29 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 121.019 0.437 . . . . 15.0 110.91 -176.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . 0.522 ' HB3' ' HD1' ' A' ' 448' ' ' TYR . 9.1 p -123.16 123.05 39.93 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.873 -0.603 . . . . 15.0 110.282 178.83 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 9.7 t -135.74 150.18 49.43 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.196 -0.456 . . . . 15.0 110.261 -178.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 91.2 m95 -95.99 1.75 52.95 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.379 0.609 . . . . 15.0 109.793 176.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -93.56 120.47 33.87 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.152 -0.931 . . . . 15.0 109.485 177.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . 0.458 ' HG3' ' CZ ' ' A' ' 447' ' ' TYR . 19.2 tttm -68.02 113.33 14.26 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.566 -0.288 . . . . 15.0 111.062 -173.173 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 1.055 ' HG2' ' HB3' ' A' ' 463' ' ' LEU . 1.5 Cg_endo -50.0 149.98 10.75 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 124.039 3.159 . . . . 15.0 113.309 178.679 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -60.57 -31.17 70.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 15.0 111.354 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -81.85 -18.03 45.3 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.125 -0.489 . . . . 15.0 111.21 179.222 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 1.055 ' HB3' ' HG2' ' A' ' 460' ' ' PRO . 48.4 tp -120.12 28.74 7.89 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.982 -0.553 . . . . 15.0 110.073 -176.04 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 24.3 mmtm . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.282 -0.866 . . . . 15.0 110.695 177.487 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.74 0 N-CA-C 111.894 -0.482 . . . . 15.0 111.894 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -68.1 130.86 44.22 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.815 0.341 . . . . 15.0 110.735 178.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 9.7 t -96.49 151.08 19.92 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.004 -0.544 . . . . 15.0 110.398 -178.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . 58.91 70.09 0.68 Allowed 'General case' 0 N--CA 1.465 0.321 0 O-C-N 123.673 0.608 . . . . 15.0 111.261 -179.036 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 67.5 t -139.92 127.77 25.31 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.416 0 CA-C-N 115.959 -0.564 . . . . 15.0 109.746 -176.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 46.4 m 77.22 20.54 1.17 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.229 -0.896 . . . . 15.0 111.352 174.313 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -90.11 -4.58 57.23 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.324 -0.853 . . . . 15.0 109.731 173.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 58.8 m95 -102.27 118.62 37.26 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.276 -0.875 . . . . 15.0 109.762 176.37 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 10.3 m -101.02 148.4 25.09 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.935 -0.394 . . . . 15.0 109.935 179.446 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . 0.466 ' HB3' HG21 ' A' ' 445' ' ' THR . 44.2 mt-10 -102.22 128.22 48.84 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.209 0.528 . . . . 15.0 111.094 -179.531 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . 0.461 ' O ' ' HA ' ' A' ' 445' ' ' THR . 85.7 m-85 -123.6 125.37 44.72 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.616 -0.72 . . . . 15.0 109.304 173.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 0.811 ' HD3' ' C ' ' A' ' 444' ' ' LYS . 4.0 tppp? -89.91 131.95 35.56 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.154 0.502 . . . . 15.0 110.867 -175.615 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 20.3 p -89.9 150.56 22.14 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.327 -0.851 . . . . 15.0 109.734 176.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -46.03 -31.67 2.41 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 113.191 0.811 . . . . 15.0 113.191 -177.282 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -77.82 3.5 14.16 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 121.026 0.441 . . . . 15.0 111.219 -178.525 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.23 41.44 5.52 Favored Glycine 0 CA--C 1.519 0.33 0 N-CA-C 115.521 0.968 . . . . 15.0 115.521 166.079 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.811 ' C ' ' HD3' ' A' ' 439' ' ' LYS . 8.0 mptt -150.36 155.93 40.55 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 117.839 0.819 . . . . 15.0 112.048 170.625 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . 0.628 HG23 ' HE3' ' A' ' 439' ' ' LYS . 6.6 p -94.47 137.66 33.34 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-O 121.268 0.556 . . . . 15.0 111.409 179.317 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 55.2 p90 -102.34 137.61 40.36 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 107.891 -1.152 . . . . 15.0 107.891 171.071 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 63.8 m-85 -89.84 113.09 24.62 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 121.639 0.733 . . . . 15.0 110.882 -171.073 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . 0.495 ' HA ' ' O ' ' A' ' 454' ' ' GLU . 52.3 t80 -108.49 123.97 49.71 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 114.666 -1.152 . . . . 15.0 110.687 -176.624 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.539 ' HB3' ' HG2' ' A' ' 454' ' ' GLU . 24.5 t-20 -89.79 132.12 35.39 Favored 'General case' 0 CA--C 1.507 -0.684 0 N-CA-C 108.773 -0.825 . . . . 15.0 108.773 174.625 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 41.8 m-80 -75.76 -50.14 16.12 Favored 'General case' 0 C--N 1.313 -0.998 0 N-CA-C 112.874 0.694 . . . . 15.0 112.874 -172.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 60.5 mtm180 -90.26 -1.66 57.95 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 118.56 -1.256 . . . . 15.0 112.721 -170.111 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . 0.439 ' OG1' ' HB3' ' A' ' 449' ' ' ASN . 46.1 p -91.59 -38.62 12.36 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.491 0.663 . . . . 15.0 110.169 158.204 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 453' ' ' ASP . . . . . . . . . . . . . 21.6 t70 66.91 75.04 0.32 Allowed 'General case' 0 N--CA 1.462 0.15 0 CA-C-N 113.822 -1.535 . . . . 15.0 109.622 -166.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . 0.539 ' HG2' ' HB3' ' A' ' 449' ' ' ASN . 14.4 pt-20 -144.57 150.15 37.01 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.323 -0.853 . . . . 15.0 109.855 -178.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 47.0 m -123.4 120.13 32.07 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.963 0.411 . . . . 15.0 111.009 179.184 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 15.4 t -128.48 149.96 50.36 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.177 -0.465 . . . . 15.0 109.952 179.265 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 91.8 m95 -96.14 6.05 49.69 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.863 0.363 . . . . 15.0 110.438 179.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -96.38 141.74 29.34 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.136 -0.69 . . . . 15.0 109.136 175.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . 0.47 ' HA ' ' HD2' ' A' ' 460' ' ' PRO . 49.2 tttp -83.28 118.74 72.51 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 116.524 -0.307 . . . . 15.0 111.577 -172.003 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.47 ' HD2' ' HA ' ' A' ' 459' ' ' LYS . 15.0 Cg_endo -59.62 143.59 99.62 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 123.09 2.527 . . . . 15.0 112.022 177.561 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . 0.413 ' HA ' ' HB2' ' A' ' 464' ' ' LYS . 2.0 mp0 -63.19 -30.71 71.81 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.773 -0.649 . . . . 15.0 111.127 -177.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . 0.521 ' OE2' ' HB2' ' A' ' 463' ' ' LEU . 0.0 OUTLIER -70.3 -14.13 62.46 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.663 -0.698 . . . . 15.0 111.756 -179.668 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.521 ' HB2' ' OE2' ' A' ' 462' ' ' GLU . 18.6 tp -120.18 9.32 11.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.004 0.43 . . . . 15.0 110.164 178.353 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . 0.413 ' HB2' ' HA ' ' A' ' 461' ' ' GLN . 1.8 ttpm? . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.246 -0.883 . . . . 15.0 110.981 -174.546 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.407 0 N-CA-C 111.585 -0.606 . . . . 15.0 111.585 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -94.98 95.64 8.75 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.811 0.339 . . . . 15.0 110.424 -178.364 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -96.17 99.68 11.39 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.066 0.46 . . . . 15.0 111.321 -179.098 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -133.79 89.96 2.65 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.933 -0.576 . . . . 15.0 110.282 177.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 14.9 p 179.9 143.79 0.1 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.337 0 N-CA-C 109.359 -0.608 . . . . 15.0 109.359 -178.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 49.8 m 66.59 23.71 10.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.378 0.609 . . . . 15.0 110.695 177.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . 0.41 ' HG2' ' H ' ' A' ' 434' ' ' GLU . 5.5 pt-20 -85.1 1.89 45.86 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.452 -0.795 . . . . 15.0 110.808 177.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 70.6 m95 -99.91 119.14 37.76 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.695 -0.684 . . . . 15.0 110.536 179.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 3.3 m -114.97 146.13 41.53 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.221 -0.659 . . . . 15.0 109.221 178.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -121.54 150.33 41.79 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.408 0.623 . . . . 15.0 110.711 -177.006 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . 0.443 ' O ' ' HA ' ' A' ' 445' ' ' THR . 84.4 m-85 -135.22 137.72 42.9 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 114.78 -1.1 . . . . 15.0 109.152 -178.771 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 0.81 ' HZ3' ' HB2' ' A' ' 439' ' ' LYS . 0.0 OUTLIER -89.98 127.02 35.95 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.216 0.531 . . . . 15.0 109.978 -179.599 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 16.8 p -89.62 150.63 22.29 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.111 -0.95 . . . . 15.0 110.119 -178.207 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -49.41 -20.53 0.71 Allowed 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 113.872 1.064 . . . . 15.0 113.872 -175.104 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -79.62 -0.83 35.4 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 121.139 0.495 . . . . 15.0 110.412 177.687 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . 0.527 ' C ' ' HD2' ' A' ' 439' ' ' LYS . . . 90.1 38.81 6.27 Favored Glycine 0 N--CA 1.447 -0.567 0 CA-C-N 115.64 -0.709 . . . . 15.0 114.417 171.353 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.697 ' C ' ' HD3' ' A' ' 439' ' ' LYS . 35.9 mttp -148.53 158.03 43.86 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 117.599 0.699 . . . . 15.0 112.728 174.448 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . 0.558 HG23 ' HZ3' ' A' ' 439' ' ' LYS . 1.0 OUTLIER -97.95 141.4 30.97 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.156 -0.474 . . . . 15.0 111.929 179.14 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 31.3 p90 -117.88 149.99 39.94 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 108.685 -0.857 . . . . 15.0 108.685 172.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -103.16 129.72 50.13 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 122.102 0.953 . . . . 15.0 111.704 -172.527 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . 0.526 ' HD2' ' HB3' ' A' ' 455' ' ' SER . 39.9 t80 -123.25 121.17 35.22 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 114.227 -1.351 . . . . 15.0 109.874 -173.628 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.489 ' HB3' ' HG2' ' A' ' 454' ' ' GLU . 24.8 t-20 -90.35 132.66 35.46 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 108.959 -0.756 . . . . 15.0 108.959 175.558 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 39.5 m-80 -76.89 -48.72 17.47 Favored 'General case' 0 C--N 1.313 -1.02 0 N-CA-C 113.027 0.751 . . . . 15.0 113.027 -173.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 58.3 mtm180 -90.01 -1.74 58.01 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 118.349 -1.34 . . . . 15.0 112.853 -171.203 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . 0.476 ' OG1' ' HG2' ' A' ' 454' ' ' GLU . 76.8 p -91.36 -35.89 14.15 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.42 -0.585 . . . . 15.0 109.42 157.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 453' ' ' ASP . . . . . . . . . . . . . 26.0 t70 76.74 27.29 0.77 Allowed 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 113.664 -1.607 . . . . 15.0 109.508 -175.366 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . 0.489 ' HG2' ' HB3' ' A' ' 449' ' ' ASN . 14.4 pt-20 -97.55 137.8 35.93 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 116.022 -0.535 . . . . 15.0 111.184 -176.629 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . 0.526 ' HB3' ' HD2' ' A' ' 448' ' ' TYR . 12.2 p -110.18 121.94 46.45 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.172 -0.467 . . . . 15.0 110.375 173.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 9.9 t -137.68 150.11 47.08 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.892 0.377 . . . . 15.0 110.386 -178.408 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 81.4 m95 -90.95 7.14 41.69 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.005 0.431 . . . . 15.0 110.691 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -92.73 142.66 27.1 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.06 -0.518 . . . . 15.0 109.905 175.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . 0.597 ' HE2' ' O ' ' A' ' 463' ' ' LEU . 75.9 tttt -84.51 125.0 72.74 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 116.292 -0.413 . . . . 15.0 110.35 -177.136 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.585 ' HG2' ' HB3' ' A' ' 463' ' ' LEU . 17.1 Cg_endo -57.98 140.15 92.93 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 123.208 2.605 . . . . 15.0 112.561 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -66.29 -9.97 37.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.76 -0.655 . . . . 15.0 112.23 -177.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -88.69 -20.32 25.01 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.129 -0.487 . . . . 15.0 110.587 177.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.597 ' O ' ' HE2' ' A' ' 459' ' ' LYS . 19.2 tp -120.02 18.33 12.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.056 -0.52 . . . . 15.0 110.902 -169.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 25.8 mtmm . . . . . 0 C--O 1.248 0.988 0 CA-C-O 118.161 -0.923 . . . . 15.0 110.388 179.697 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.739 0 N-CA-C 112.138 -0.385 . . . . 15.0 112.138 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -107.18 145.59 32.4 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 110.259 -0.275 . . . . 15.0 110.259 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 430' ' ' THR . . . . . 0.592 ' HA ' HD12 ' A' ' 463' ' ' LEU . 2.6 m -124.18 33.17 5.34 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-O 120.586 0.231 . . . . 15.0 111.588 -174.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . 71.77 128.74 0.03 OUTLIER 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.868 0.842 . . . . 15.0 111.474 177.125 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 15.3 m -83.72 56.12 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.929 0 CA-C-N 115.001 -1.0 . . . . 15.0 111.721 -177.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 10.0 t 65.3 17.17 10.9 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.028 -0.987 . . . . 15.0 110.978 178.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . 0.579 ' HB3' ' ND2' ' A' ' 449' ' ' ASN . 21.2 mm-40 -90.0 -74.0 0.5 Allowed 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 114.868 -1.06 . . . . 15.0 110.878 178.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.479 ' CD2' ' HB2' ' A' ' 449' ' ' ASN . 55.6 m95 -90.65 123.2 34.08 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.614 -0.721 . . . . 15.0 110.456 -176.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 2.7 m -113.69 146.47 39.77 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.001 -0.545 . . . . 15.0 109.694 177.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -90.0 113.94 25.7 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.339 0.59 . . . . 15.0 110.135 -178.456 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 80.0 m-85 -110.64 148.02 33.09 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 114.948 -1.024 . . . . 15.0 108.946 175.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 0.824 ' HD2' ' N ' ' A' ' 444' ' ' LYS . 0.1 OUTLIER -103.92 138.93 39.79 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.24 0.543 . . . . 15.0 111.044 -176.818 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . 0.517 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 29.5 p -89.75 150.43 22.29 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.329 -0.85 . . . . 15.0 109.318 173.144 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -54.13 -23.47 14.23 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 112.791 0.664 . . . . 15.0 112.791 -175.315 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -80.99 -0.8 41.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.765 0.316 . . . . 15.0 111.307 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 88.78 55.79 2.09 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 121.089 -0.577 . . . . 15.0 112.658 175.509 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.824 ' N ' ' HD2' ' A' ' 439' ' ' LYS . 14.5 mmtp -140.52 142.68 35.21 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 116.7 2.111 . . . . 15.0 116.7 -178.263 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 20.9 p -89.59 139.69 30.3 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 114.981 -1.008 . . . . 15.0 110.711 179.057 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 45.7 p90 -149.96 145.14 26.3 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.317 -0.623 . . . . 15.0 109.317 173.302 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . 0.422 ' HB3' ' HB3' ' A' ' 435' ' ' TRP . 66.4 m-85 -98.69 114.54 27.09 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-O 121.387 0.613 . . . . 15.0 110.628 -173.197 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . 0.495 ' HD2' ' HB3' ' A' ' 455' ' ' SER . 44.0 t80 -106.09 119.48 39.33 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 114.999 -1.0 . . . . 15.0 110.055 -175.237 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.579 ' ND2' ' HB3' ' A' ' 434' ' ' GLU . 21.5 t-20 -89.72 134.61 34.08 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 108.728 -0.841 . . . . 15.0 108.728 176.252 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 42.9 m-80 -76.89 -52.94 8.55 Favored 'General case' 0 C--N 1.315 -0.925 0 N-CA-C 113.1 0.778 . . . . 15.0 113.1 -171.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -90.14 -1.86 58.0 Favored 'General case' 0 CA--C 1.515 -0.392 0 C-N-CA 118.169 -1.413 . . . . 15.0 112.487 -171.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . 0.55 ' OG1' ' HB3' ' A' ' 449' ' ' ASN . 26.3 p -91.82 -32.19 15.44 Favored 'General case' 0 C--N 1.308 -1.224 0 CA-C-O 121.58 0.705 . . . . 15.0 109.436 161.015 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 453' ' ' ASP . . . . . . . . . . . . . 29.3 t70 69.9 31.64 3.36 Favored 'General case' 0 C--N 1.343 0.319 0 CA-C-N 113.656 -1.611 . . . . 15.0 110.391 178.176 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . 0.545 ' HG2' ' OG1' ' A' ' 452' ' ' THR . 14.7 pt-20 -122.01 148.88 44.27 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.667 -0.697 . . . . 15.0 110.475 -177.76 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . 0.495 ' HB3' ' HD2' ' A' ' 448' ' ' TYR . 5.9 p -117.22 130.58 56.67 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.273 -0.421 . . . . 15.0 111.037 -178.306 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 8.9 t -119.72 150.05 41.01 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.104 -0.498 . . . . 15.0 110.479 179.194 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 83.0 m95 -96.44 2.17 52.32 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.158 -0.474 . . . . 15.0 110.092 178.207 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -109.07 151.71 26.03 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.88 -0.6 . . . . 15.0 109.596 -179.228 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 9.8 mtpm? -72.62 118.7 70.14 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-O 121.159 0.504 . . . . 15.0 111.415 -177.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.595 ' HG2' ' HB2' ' A' ' 463' ' ' LEU . 11.2 Cg_endo -57.65 150.34 62.08 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 123.702 2.935 . . . . 15.0 112.396 177.458 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . 0.4 ' O ' ' HG2' ' A' ' 464' ' ' LYS . 4.9 pm0 -56.33 -25.23 48.26 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.026 -0.534 . . . . 15.0 112.068 -179.805 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . 0.411 ' OE2' ' HB2' ' A' ' 434' ' ' GLU . 11.7 pt-20 -89.88 7.32 37.83 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 116.114 -0.494 . . . . 15.0 111.655 179.585 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.595 ' HB2' ' HG2' ' A' ' 460' ' ' PRO . 31.1 tp -116.96 9.04 13.62 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.161 0.505 . . . . 15.0 110.622 179.617 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . 0.4 ' HG2' ' O ' ' A' ' 461' ' ' GLN . 21.7 pttp . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.276 -0.869 . . . . 15.0 109.961 176.025 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.717 0 N-CA-C 112.162 -0.375 . . . . 15.0 112.162 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -130.18 130.09 44.26 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 110.128 -0.323 . . . . 15.0 110.128 178.263 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 44.4 m 77.18 -44.77 0.46 Allowed 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 121.917 0.865 . . . . 15.0 111.686 179.287 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -96.58 82.54 3.35 Favored 'General case' 0 C--N 1.297 -1.713 0 CA-C-N 114.38 -1.282 . . . . 15.0 110.187 178.235 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 14.8 p -167.65 140.59 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.7 0 N-CA-C 109.078 -0.712 . . . . 15.0 109.078 -178.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 8.6 t 69.47 17.65 7.99 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 121.912 0.863 . . . . 15.0 109.825 -177.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . 0.55 ' HB3' ' ND2' ' A' ' 449' ' ' ASN . 6.2 mm-40 -69.79 -19.35 63.5 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.271 -1.332 . . . . 15.0 110.772 178.337 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.521 ' HA ' ' O ' ' A' ' 448' ' ' TYR . 71.5 m95 -112.29 119.93 39.98 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.442 -0.799 . . . . 15.0 110.633 -174.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 2.4 m -99.16 145.01 27.64 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.017 -0.538 . . . . 15.0 109.592 176.461 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -104.31 123.74 47.92 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.278 0.561 . . . . 15.0 110.602 -176.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . 0.561 ' O ' ' HA ' ' A' ' 445' ' ' THR . 93.4 m-85 -123.42 140.37 53.08 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.397 -0.819 . . . . 15.0 110.285 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 0.81 ' HD3' ' C ' ' A' ' 444' ' ' LYS . 11.2 tppt? -95.17 132.91 39.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.2 0.524 . . . . 15.0 109.926 175.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 9.8 p -89.64 151.0 22.12 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.36 -0.836 . . . . 15.0 110.365 -179.154 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -50.76 -20.97 1.42 Allowed 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 113.11 0.782 . . . . 15.0 113.11 -178.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -77.64 -5.03 48.96 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 121.027 0.441 . . . . 15.0 111.001 175.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . 0.447 ' C ' ' HD2' ' A' ' 439' ' ' LYS . . . 90.15 39.39 6.08 Favored Glycine 0 N--CA 1.447 -0.583 0 CA-C-N 115.628 -0.714 . . . . 15.0 114.153 173.682 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.81 ' C ' ' HD3' ' A' ' 439' ' ' LYS . 48.0 mtpt -145.16 153.54 41.48 Favored 'General case' 0 C--O 1.221 -0.42 0 N-CA-C 113.346 0.869 . . . . 15.0 113.346 175.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . 0.561 ' HA ' ' O ' ' A' ' 438' ' ' TYR . 0.1 OUTLIER -99.41 150.11 22.49 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.833 -0.621 . . . . 15.0 112.239 -176.6 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 47.2 p90 -142.57 150.06 39.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.528 -0.76 . . . . 15.0 109.336 -177.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -98.11 126.49 43.58 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.404 0.621 . . . . 15.0 111.089 -175.155 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . 0.521 ' O ' ' HA ' ' A' ' 435' ' ' TRP . 43.0 t80 -116.65 120.12 37.64 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 115.355 -0.839 . . . . 15.0 110.315 -174.129 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.55 ' ND2' ' HB3' ' A' ' 434' ' ' GLU . 23.1 t-20 -89.77 134.36 34.22 Favored 'General case' 0 CA--C 1.507 -0.691 0 N-CA-C 108.693 -0.854 . . . . 15.0 108.693 177.726 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 41.6 m-80 -83.54 -50.18 8.5 Favored 'General case' 0 C--N 1.312 -1.03 0 N-CA-C 113.259 0.837 . . . . 15.0 113.259 -170.376 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 46.0 mtm180 -90.06 -1.76 58.01 Favored 'General case' 0 N--CA 1.462 0.173 0 C-N-CA 118.419 -1.312 . . . . 15.0 112.728 -173.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 71.2 p -91.4 -36.65 13.68 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.553 0.692 . . . . 15.0 109.54 160.069 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 453' ' ' ASP . . . . . . . . . . . . . 26.5 t70 67.51 71.38 0.35 Allowed 'General case' 0 C--O 1.231 0.125 0 CA-C-N 113.611 -1.631 . . . . 15.0 109.752 -173.047 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -150.2 150.24 31.31 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.236 -0.893 . . . . 15.0 111.001 -178.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 10.2 p -112.35 129.38 56.32 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.106 -0.497 . . . . 15.0 111.145 179.477 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 21.7 m -132.59 139.51 47.83 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.094 -0.503 . . . . 15.0 110.084 -178.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 91.3 m95 -89.01 -25.67 21.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.722 0.296 . . . . 15.0 111.497 -178.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -75.55 137.07 40.59 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.179 -0.464 . . . . 15.0 109.907 174.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . 1.056 ' HB3' ' HE3' ' A' ' 464' ' ' LYS . 32.9 tttm -67.2 114.2 17.42 Favored Pre-proline 0 C--N 1.326 -0.417 0 N-CA-C 109.792 -0.448 . . . . 15.0 109.792 -179.498 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.738 ' HG2' ' HB3' ' A' ' 463' ' ' LEU . 10.1 Cg_endo -53.63 146.32 44.29 Favored 'Trans proline' 0 N--CA 1.476 0.446 0 C-N-CA 123.969 3.112 . . . . 15.0 112.901 -176.503 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -63.67 -22.85 67.12 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 111.851 0.315 . . . . 15.0 111.851 -178.114 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 2.5 pm0 -82.15 -15.48 53.15 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.711 0.291 . . . . 15.0 111.251 177.586 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.738 ' HB3' ' HG2' ' A' ' 460' ' ' PRO . 29.6 tp -120.27 3.45 10.85 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.843 0.354 . . . . 15.0 110.51 -178.581 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . 1.056 ' HE3' ' HB3' ' A' ' 459' ' ' LYS . 8.3 mmtp . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.256 -0.878 . . . . 15.0 110.577 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.768 0 N-CA-C 112.07 -0.412 . . . . 15.0 112.07 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -55.45 139.05 44.79 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-O 120.717 0.294 . . . . 15.0 111.476 -179.528 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 30.7 m 62.49 86.85 0.11 Allowed 'General case' 0 N--CA 1.455 -0.198 0 CA-C-N 115.592 -0.731 . . . . 15.0 110.994 -177.29 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -84.36 69.91 10.56 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.431 0.634 . . . . 15.0 110.029 177.379 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 75.6 t -148.42 136.08 14.13 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.586 0 CA-C-N 115.125 -0.943 . . . . 15.0 108.578 -176.333 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 91.7 p 63.98 22.11 12.84 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 124.674 1.19 . . . . 15.0 111.098 178.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -89.26 -11.23 44.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.889 -0.596 . . . . 15.0 110.459 177.47 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.47 ' CZ3' HG22 ' A' ' 456' ' ' THR . 86.6 m95 -102.59 124.57 48.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.083 -0.508 . . . . 15.0 110.841 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 2.8 m -111.43 144.01 41.32 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.895 -0.409 . . . . 15.0 109.895 176.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . 0.436 ' HG2' HG22 ' A' ' 445' ' ' THR . 31.3 tt0 -99.98 122.55 43.05 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.267 0.556 . . . . 15.0 110.221 -176.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 90.4 m-85 -124.33 150.23 45.7 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.324 -0.853 . . . . 15.0 109.662 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 0.856 ' HD2' ' N ' ' A' ' 444' ' ' LYS . 13.6 tppt? -104.16 138.34 40.79 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.994 0.426 . . . . 15.0 111.054 179.325 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . 0.508 HG23 ' CE1' ' A' ' 446' ' ' TYR . 6.1 p -89.81 150.29 22.31 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.774 -0.648 . . . . 15.0 109.663 172.443 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -64.08 1.87 0.63 Allowed 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 113.314 0.857 . . . . 15.0 113.314 -174.452 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -100.52 2.28 41.82 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.797 0.332 . . . . 15.0 110.455 178.106 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.05 54.91 2.07 Favored Glycine 0 C--N 1.332 0.321 0 C-N-CA 121.243 -0.503 . . . . 15.0 112.62 178.13 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.856 ' N ' ' HD2' ' A' ' 439' ' ' LYS . 33.0 mttp -150.11 132.59 15.68 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 115.004 1.483 . . . . 15.0 115.004 -177.451 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . 0.436 HG22 ' HG2' ' A' ' 437' ' ' GLU . 0.0 OUTLIER -93.74 148.77 21.81 Favored 'General case' 0 C--N 1.315 -0.896 0 C-N-CA 121.153 -0.219 . . . . 15.0 110.632 177.506 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . 0.508 ' CE1' HG23 ' A' ' 440' ' ' THR . 54.4 p90 -149.95 150.06 31.3 Favored 'General case' 0 CA--C 1.515 -0.397 0 N-CA-C 109.612 -0.514 . . . . 15.0 109.612 -176.291 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -104.98 120.34 41.22 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.474 0.654 . . . . 15.0 111.102 -171.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . 0.574 ' CD2' ' HB3' ' A' ' 455' ' ' SER . 35.2 t80 -113.39 119.62 38.26 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 114.648 -1.16 . . . . 15.0 109.767 -176.502 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.608 ' HB3' ' OG1' ' A' ' 452' ' ' THR . 46.2 t-20 -90.13 126.97 35.98 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.978 -0.749 . . . . 15.0 108.978 177.634 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 45.6 m-80 -80.47 -41.2 24.79 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.49 -0.777 . . . . 15.0 112.623 -171.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 80.9 mtm180 -90.28 -1.49 57.93 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 118.666 -1.214 . . . . 15.0 111.793 -174.419 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . 0.608 ' OG1' ' HB3' ' A' ' 449' ' ' ASN . 42.5 p -91.55 -47.65 7.29 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.717 0.77 . . . . 15.0 109.357 160.07 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 453' ' ' ASP . . . . . . . . . . . . . 30.1 t70 81.93 36.18 0.07 Allowed 'General case' 0 C--N 1.342 0.247 0 CA-C-N 112.779 -2.009 . . . . 15.0 109.71 -172.264 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . 0.492 ' HG3' ' HB ' ' A' ' 452' ' ' THR . 1.1 pp20? -128.73 145.49 51.16 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.234 0.54 . . . . 15.0 111.045 175.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . 0.574 ' HB3' ' CD2' ' A' ' 448' ' ' TYR . 13.0 p -116.76 135.1 54.03 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.474 -0.785 . . . . 15.0 110.949 -177.435 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . 0.47 HG22 ' CZ3' ' A' ' 435' ' ' TRP . 14.4 t -133.01 150.05 52.18 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.925 -0.579 . . . . 15.0 109.719 177.211 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.588 ' HZ3' ' HB3' ' A' ' 444' ' ' LYS . 74.2 m95 -86.19 -3.28 58.93 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.122 0.487 . . . . 15.0 110.25 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -83.2 136.07 34.55 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.628 -0.715 . . . . 15.0 109.615 176.338 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . 0.521 ' HE2' ' O ' ' A' ' 463' ' ' LEU . 70.7 tttt -77.33 123.44 86.97 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 116.49 -0.323 . . . . 15.0 110.795 -175.623 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -69.18 149.16 70.24 Favored 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 122.818 2.345 . . . . 15.0 112.257 -179.174 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -57.81 -27.86 63.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.744 -0.662 . . . . 15.0 112.055 -175.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -72.4 -22.15 61.16 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.05 0.389 . . . . 15.0 112.05 -176.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.521 ' O ' ' HE2' ' A' ' 459' ' ' LYS . 6.3 tp -120.23 3.28 10.88 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.675 -0.41 . . . . 15.0 111.005 -172.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 64.2 tttm . . . . . 0 C--O 1.253 1.27 0 CA-C-O 118.378 -0.82 . . . . 15.0 111.853 -174.177 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.581 0 N-CA-C 111.487 -0.645 . . . . 15.0 111.487 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . 71.58 148.37 0.08 Allowed 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 121.608 0.718 . . . . 15.0 112.378 178.041 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 28.1 m -115.79 112.5 22.09 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.578 -0.737 . . . . 15.0 110.422 177.389 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . 68.01 113.97 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.318 0 O-C-N 124.116 0.885 . . . . 15.0 112.316 177.442 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 21.0 m -112.75 38.43 0.57 Allowed 'Isoleucine or valine' 0 CA--C 1.51 -0.563 0 CA-C-O 122.778 1.275 . . . . 15.0 110.294 178.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 4.9 t 49.04 24.89 0.97 Allowed 'General case' 0 C--N 1.311 -1.107 0 CA-C-N 112.094 -2.321 . . . . 15.0 112.41 179.144 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . 0.512 ' HG3' ' ND2' ' A' ' 449' ' ' ASN . 15.6 tp10 -87.11 -22.05 25.62 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.351 0.596 . . . . 15.0 110.446 -176.318 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 84.9 m95 -108.65 135.67 49.5 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.351 -0.841 . . . . 15.0 110.249 177.271 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 3.1 m -126.18 144.73 50.65 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.499 -0.556 . . . . 15.0 109.499 173.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . 0.531 ' HB3' ' CD1' ' A' ' 447' ' ' TYR . 0.2 OUTLIER -110.96 131.12 55.31 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.533 0.683 . . . . 15.0 111.103 -176.515 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -126.96 141.84 51.7 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.429 -0.805 . . . . 15.0 109.483 178.46 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 0.817 ' HD3' ' C ' ' A' ' 444' ' ' LYS . 10.6 tppt? -93.75 143.34 26.41 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.382 0.61 . . . . 15.0 110.413 -177.739 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 25.0 p -89.62 150.71 22.26 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.108 -0.951 . . . . 15.0 109.872 178.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -49.91 -25.14 2.95 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 112.966 0.728 . . . . 15.0 112.966 -179.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -80.55 -6.12 57.76 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 120.902 0.382 . . . . 15.0 110.758 178.479 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.32 51.47 2.74 Favored Glycine 0 N--CA 1.449 -0.48 0 CA-C-N 115.943 -0.571 . . . . 15.0 114.254 176.036 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.817 ' C ' ' HD3' ' A' ' 439' ' ' LYS . 42.6 mttp -146.19 149.94 34.91 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 117.489 0.645 . . . . 15.0 112.626 168.229 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . 0.564 ' N ' ' HD3' ' A' ' 439' ' ' LYS . 0.0 OUTLIER -96.66 145.3 25.89 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.17 0.509 . . . . 15.0 111.563 -179.041 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 52.0 p90 -130.09 146.81 51.77 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.282 -0.872 . . . . 15.0 108.656 175.132 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . 0.531 ' CD1' ' HB3' ' A' ' 437' ' ' GLU . 64.0 m-85 -99.98 123.69 44.5 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.379 0.609 . . . . 15.0 111.065 -174.631 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 55.1 t80 -109.43 124.09 50.44 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.247 -0.888 . . . . 15.0 110.665 -178.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.548 ' HB3' ' OG1' ' A' ' 452' ' ' THR . 24.1 t-20 -94.44 135.42 35.89 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.635 -0.876 . . . . 15.0 108.635 172.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 43.4 m-80 -76.82 -53.01 8.48 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 113.141 0.793 . . . . 15.0 113.141 -170.047 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 0.405 ' HE ' ' CD ' ' A' ' 434' ' ' GLU . 46.6 mtm180 -88.99 -1.11 57.95 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 118.836 -1.145 . . . . 15.0 112.306 -172.288 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . 0.548 ' OG1' ' HB3' ' A' ' 449' ' ' ASN . 80.4 p -91.34 -31.49 16.06 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.422 0.629 . . . . 15.0 109.692 158.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 453' ' ' ASP . . . . . . . . . . . . . 36.8 t70 66.62 31.23 7.9 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 114.195 -1.366 . . . . 15.0 109.664 -175.159 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -101.14 141.36 34.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.663 -0.699 . . . . 15.0 110.339 -178.324 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 15.6 m -117.55 115.79 25.82 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.298 -0.63 . . . . 15.0 109.298 174.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 14.6 t -130.97 150.47 52.11 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.302 0.572 . . . . 15.0 110.842 -175.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 70.9 m95 -89.88 0.31 57.13 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.669 -0.696 . . . . 15.0 110.241 178.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -87.31 153.24 21.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.547 -0.751 . . . . 15.0 109.555 177.109 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . 0.481 ' HE2' ' O ' ' A' ' 463' ' ' LEU . 63.1 tttt -81.21 124.91 80.46 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 116.454 -0.339 . . . . 15.0 110.697 -175.587 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.543 ' HG2' ' HB3' ' A' ' 463' ' ' LEU . 6.6 Cg_endo -51.95 140.71 48.35 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 123.476 2.784 . . . . 15.0 112.656 178.176 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -72.05 -1.6 15.31 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.116 -0.493 . . . . 15.0 111.724 -176.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -102.94 -4.93 24.04 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.945 0.402 . . . . 15.0 110.383 174.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.543 ' HB3' ' HG2' ' A' ' 460' ' ' PRO . 21.7 tp -120.03 21.17 11.95 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.237 -0.438 . . . . 15.0 110.031 -176.313 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . 0.445 ' HG3' ' H ' ' A' ' 464' ' ' LYS . 21.2 mtmm . . . . . 0 C--O 1.248 0.984 0 CA-C-O 118.469 -0.777 . . . . 15.0 111.13 -175.564 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.804 0 N-CA-C 111.878 -0.489 . . . . 15.0 111.878 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . 0.574 ' O ' HG22 ' A' ' 430' ' ' THR . . . -87.51 109.62 19.74 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.993 -0.373 . . . . 15.0 109.993 177.136 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 430' ' ' THR . . . . . 0.574 HG22 ' O ' ' A' ' 429' ' ' ALA . 1.0 OUTLIER 58.81 8.75 1.0 Allowed 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.398 1.079 . . . . 15.0 112.028 -178.169 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . 0.402 ' HB1' ' HG3' ' A' ' 434' ' ' GLU . . . -137.53 100.83 4.33 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.123 -0.49 . . . . 15.0 110.085 -179.608 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 91.7 t -142.78 125.99 14.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 108.858 -0.793 . . . . 15.0 108.858 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 43.3 m 73.06 23.3 2.74 Favored 'General case' 0 C--N 1.328 -0.357 0 O-C-N 123.95 0.781 . . . . 15.0 110.292 -178.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . 0.5 ' O ' ' HA ' ' A' ' 449' ' ' ASN . 14.9 mm-40 -69.63 -27.78 65.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.496 -0.775 . . . . 15.0 110.93 -179.646 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.485 ' HB3' ' HB3' ' A' ' 447' ' ' TYR . 34.2 m95 -102.51 114.54 28.84 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.362 -0.835 . . . . 15.0 110.684 -173.482 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 4.9 m -91.4 146.09 24.1 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.844 -0.616 . . . . 15.0 109.65 177.158 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . 0.405 ' HG2' ' CE1' ' A' ' 447' ' ' TYR . 51.4 mt-10 -96.27 126.99 41.86 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.944 0.402 . . . . 15.0 111.462 -175.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . 0.453 ' O ' ' HA ' ' A' ' 445' ' ' THR . 78.0 m-85 -130.66 127.06 38.14 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.454 -0.793 . . . . 15.0 109.398 175.348 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 0.794 ' HD3' ' C ' ' A' ' 444' ' ' LYS . 11.9 tppt? -99.9 142.24 31.65 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 109.493 -0.558 . . . . 15.0 109.493 179.156 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 24.7 p -89.39 150.71 22.41 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 115.442 -0.799 . . . . 15.0 110.013 -178.371 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -49.58 -28.73 6.0 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 112.563 0.579 . . . . 15.0 112.563 -179.568 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -79.76 -4.11 50.55 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 121.159 0.504 . . . . 15.0 111.05 178.352 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.23 52.69 2.49 Favored Glycine 0 N--CA 1.447 -0.59 0 CA-C-N 115.728 -0.669 . . . . 15.0 114.581 174.373 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.794 ' C ' ' HD3' ' A' ' 439' ' ' LYS . 10.7 mttm -146.57 146.07 30.33 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 113.43 0.9 . . . . 15.0 113.43 169.26 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . 0.615 ' N ' ' HD3' ' A' ' 439' ' ' LYS . 0.0 OUTLIER -96.13 145.47 25.48 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.52 0.676 . . . . 15.0 112.138 -179.242 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 42.7 p90 -129.26 135.78 49.23 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 114.806 -1.088 . . . . 15.0 108.597 171.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . 0.501 ' CD2' ' HD3' ' A' ' 460' ' ' PRO . 73.2 m-85 -92.61 112.36 24.29 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.224 -0.444 . . . . 15.0 110.564 -174.248 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . 0.423 ' CE1' ' HA ' ' A' ' 453' ' ' ASP . 29.1 t80 -100.41 120.99 40.8 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.987 -0.551 . . . . 15.0 110.864 -178.332 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.557 ' HB3' ' OG1' ' A' ' 452' ' ' THR . 37.3 t-20 -89.77 129.3 36.18 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.69 -0.855 . . . . 15.0 108.69 176.725 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 40.7 m-80 -73.23 -49.99 24.82 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 113.281 0.845 . . . . 15.0 113.281 -170.638 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 31.6 mtm180 -90.18 -1.68 57.97 Favored 'General case' 0 C--N 1.333 -0.145 0 C-N-CA 118.268 -1.373 . . . . 15.0 112.225 -173.486 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . 0.621 ' OG1' ' HG2' ' A' ' 454' ' ' GLU . 70.4 p -91.2 -36.6 13.84 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.948 -0.76 . . . . 15.0 108.948 161.12 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 453' ' ' ASP . . . . . 0.423 ' HA ' ' CE1' ' A' ' 448' ' ' TYR . 36.8 t70 69.88 33.41 2.86 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 113.505 -1.679 . . . . 15.0 109.369 -174.347 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . 0.621 ' HG2' ' OG1' ' A' ' 452' ' ' THR . 10.8 pt-20 -116.99 145.15 43.84 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 115.817 -0.629 . . . . 15.0 110.212 -179.304 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 36.0 m -109.9 118.38 36.31 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.127 0.489 . . . . 15.0 110.982 -179.45 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 54.1 m -110.3 134.65 52.06 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.711 -0.677 . . . . 15.0 109.79 177.223 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 69.3 m95 -89.55 -23.65 21.95 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.145 0.498 . . . . 15.0 109.948 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -72.81 152.39 41.58 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.455 -0.793 . . . . 15.0 109.666 174.196 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . 0.63 ' HG2' ' HA ' ' A' ' 464' ' ' LYS . 18.0 tptm -64.76 120.62 67.75 Favored Pre-proline 0 C--N 1.326 -0.443 0 N-CA-C 110.208 -0.293 . . . . 15.0 110.208 -179.402 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.501 ' HD3' ' CD2' ' A' ' 447' ' ' TYR . 52.5 Cg_exo -56.7 144.14 87.44 Favored 'Trans proline' 0 C--N 1.343 0.253 0 C-N-CA 123.198 2.598 . . . . 15.0 111.826 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -67.29 -9.45 40.98 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.3 0.481 . . . . 15.0 112.3 -175.364 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -98.59 -14.33 19.96 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.135 0.493 . . . . 15.0 110.578 176.219 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 31.4 tp -120.1 0.94 10.82 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.211 -0.45 . . . . 15.0 110.995 -174.236 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . 0.63 ' HA ' ' HG2' ' A' ' 459' ' ' LYS . 19.0 pttp . . . . . 0 C--O 1.245 0.857 0 CA-C-O 118.116 -0.945 . . . . 15.0 111.597 -176.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.745 0 N-CA-C 111.464 -0.654 . . . . 15.0 111.464 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -87.63 149.94 23.98 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.956 -0.757 . . . . 15.0 108.956 174.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 71.3 p 55.05 15.95 1.37 Allowed 'General case' 0 N--CA 1.471 0.582 0 O-C-N 123.952 0.783 . . . . 15.0 112.367 -179.504 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -158.27 103.91 1.83 Allowed 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 116.052 -0.522 . . . . 15.0 110.03 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 57.7 t -146.22 132.82 14.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 108.745 -0.835 . . . . 15.0 108.745 -179.379 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 20.7 m 78.29 20.54 0.91 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.26 0.975 . . . . 15.0 109.656 179.227 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . 0.57 ' O ' ' HA ' ' A' ' 449' ' ' ASN . 19.8 mm-40 -68.01 -27.3 66.44 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.852 -1.067 . . . . 15.0 110.773 -179.773 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.493 ' CZ3' HG22 ' A' ' 456' ' ' THR . 68.9 m95 -104.03 122.2 44.75 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.628 -0.714 . . . . 15.0 111.025 -173.328 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 6.3 m -106.04 149.02 27.08 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.811 -0.631 . . . . 15.0 109.879 176.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -101.25 121.49 41.96 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.385 0.612 . . . . 15.0 111.571 -178.264 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . 0.565 ' O ' ' HA ' ' A' ' 445' ' ' THR . 74.8 m-85 -124.72 128.12 48.3 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.252 -0.885 . . . . 15.0 109.049 174.134 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 0.736 ' HD3' ' C ' ' A' ' 444' ' ' LYS . 10.2 tppt? -89.92 125.02 35.21 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.338 0.589 . . . . 15.0 110.668 -177.611 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -89.77 150.74 22.14 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.196 -0.911 . . . . 15.0 110.013 176.662 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -47.84 -15.46 0.06 Allowed 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 114.205 1.187 . . . . 15.0 114.205 -176.448 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -80.66 -2.23 45.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.242 0.544 . . . . 15.0 110.377 177.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . 0.455 ' C ' ' HD2' ' A' ' 439' ' ' LYS . . . 89.97 35.15 7.82 Favored Glycine 0 N--CA 1.448 -0.523 0 CA-C-N 115.46 -0.791 . . . . 15.0 113.759 170.822 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.736 ' C ' ' HD3' ' A' ' 439' ' ' LYS . 33.0 mttp -150.43 157.61 43.22 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 117.093 0.446 . . . . 15.0 112.037 176.333 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . 0.565 ' HA ' ' O ' ' A' ' 438' ' ' TYR . 33.8 p -93.87 136.33 34.27 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.367 0.603 . . . . 15.0 111.4 178.23 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . 0.403 ' CZ ' ' HB2' ' A' ' 438' ' ' TYR . 52.7 p90 -100.01 136.9 39.21 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 108.412 -0.958 . . . . 15.0 108.412 171.564 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 38.7 m-85 -91.46 114.89 27.55 Favored 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 109.958 -0.386 . . . . 15.0 109.958 -176.124 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . 0.438 ' O ' ' HA ' ' A' ' 435' ' ' TRP . 52.2 t80 -109.87 125.7 53.06 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.204 -0.453 . . . . 15.0 111.062 -177.703 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.731 ' HB3' ' OG1' ' A' ' 452' ' ' THR . 43.8 t-20 -96.07 133.85 39.83 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.401 -0.592 . . . . 15.0 109.401 175.245 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 44.5 m-80 -75.94 -50.54 14.68 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 113.245 0.831 . . . . 15.0 113.245 -172.625 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 50.4 mtm180 -90.2 -1.16 57.9 Favored 'General case' 0 N--CA 1.463 0.183 0 C-N-CA 118.803 -1.159 . . . . 15.0 111.762 -172.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . 0.731 ' OG1' ' HB3' ' A' ' 449' ' ' ASN . 68.9 p -91.12 -36.08 14.2 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 108.536 -0.913 . . . . 15.0 108.536 161.654 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 453' ' ' ASP . . . . . . . . . . . . . 33.1 t70 69.06 36.26 2.51 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 113.838 -1.528 . . . . 15.0 109.287 -177.066 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . 0.475 ' HG3' ' HB ' ' A' ' 452' ' ' THR . 1.4 pp20? -134.93 150.08 50.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.708 -0.678 . . . . 15.0 111.011 178.4 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 34.5 t -120.62 134.11 55.31 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.657 -0.701 . . . . 15.0 110.693 -176.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . 0.493 HG22 ' CZ3' ' A' ' 435' ' ' TRP . 8.9 t -120.1 149.79 41.64 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.777 -0.647 . . . . 15.0 109.991 176.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 77.9 m95 -92.66 -3.41 54.97 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.34 0.59 . . . . 15.0 109.703 177.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -93.46 140.81 29.16 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.125 -0.943 . . . . 15.0 109.408 178.089 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . 1.01 ' HD3' ' HA ' ' A' ' 464' ' ' LYS . 33.9 ttmt -55.67 125.18 60.25 Favored Pre-proline 0 C--N 1.328 -0.335 0 O-C-N 123.252 0.345 . . . . 15.0 111.404 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -63.32 150.09 89.5 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 123.296 2.664 . . . . 15.0 112.142 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 32.9 mm-40 -68.21 -11.27 59.01 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.628 0.603 . . . . 15.0 112.628 -174.312 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -99.36 -3.04 34.8 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.153 0.501 . . . . 15.0 110.49 177.111 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 31.3 tp -120.09 8.76 11.02 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.733 -0.667 . . . . 15.0 110.091 -178.11 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . 1.01 ' HA ' ' HD3' ' A' ' 459' ' ' LYS . 19.0 ptpt . . . . . 0 C--O 1.252 1.223 0 CA-C-O 118.955 -0.545 . . . . 15.0 111.604 -175.204 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.561 0 N-CA-C 111.511 -0.635 . . . . 15.0 111.511 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -70.13 149.49 47.52 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.88 0.371 . . . . 15.0 110.716 179.185 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 5.5 p -84.75 40.17 0.79 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.153 -0.476 . . . . 15.0 111.716 -178.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -129.87 92.41 3.31 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.178 -0.465 . . . . 15.0 110.353 179.074 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 9.3 p -170.25 135.97 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.911 -0.586 . . . . 15.0 110.168 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 35.3 p 53.64 29.81 9.93 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 123.669 0.788 . . . . 15.0 111.742 177.078 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -89.66 -21.33 22.82 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.089 -0.505 . . . . 15.0 110.329 178.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.488 ' HA ' ' O ' ' A' ' 448' ' ' TYR . 56.0 m95 -103.45 127.71 50.77 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.51 -0.768 . . . . 15.0 110.751 -175.697 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 3.5 m -117.34 144.02 45.35 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.352 -0.61 . . . . 15.0 109.352 175.379 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . 0.64 ' HB3' ' CD1' ' A' ' 447' ' ' TYR . 0.2 OUTLIER -121.2 134.79 55.21 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-O 121.499 0.666 . . . . 15.0 111.437 -176.481 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -122.45 138.17 54.63 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.292 -0.867 . . . . 15.0 109.085 176.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 0.843 ' HD3' ' C ' ' A' ' 444' ' ' LYS . 4.7 tppp? -89.72 127.03 35.88 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.496 -0.557 . . . . 15.0 109.496 -178.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 24.6 p -89.56 150.63 22.34 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 115.415 -0.812 . . . . 15.0 110.017 -176.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -48.19 -22.19 0.61 Allowed 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 113.173 0.805 . . . . 15.0 113.173 -176.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -78.71 -2.21 38.2 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 121.046 0.451 . . . . 15.0 111.063 177.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.94 37.62 6.74 Favored Glycine 0 N--CA 1.448 -0.554 0 CA-C-N 115.927 -0.579 . . . . 15.0 114.517 170.673 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.843 ' C ' ' HD3' ' A' ' 439' ' ' LYS . 35.5 mtmm -151.24 155.49 38.9 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 117.58 0.69 . . . . 15.0 112.472 175.101 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . 0.688 HG23 ' HE3' ' A' ' 439' ' ' LYS . 0.6 OUTLIER -98.48 143.15 29.23 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.679 -0.691 . . . . 15.0 111.615 -177.663 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 44.5 p90 -115.71 137.79 51.73 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 108.814 -0.81 . . . . 15.0 108.814 171.602 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . 0.64 ' CD1' ' HB3' ' A' ' 437' ' ' GLU . 97.1 m-85 -98.93 122.02 41.64 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-O 121.19 0.519 . . . . 15.0 110.66 -174.647 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . 0.488 ' O ' ' HA ' ' A' ' 435' ' ' TRP . 46.0 t80 -113.38 123.81 50.96 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.131 -0.941 . . . . 15.0 111.247 -174.217 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -90.11 139.04 31.01 Favored 'General case' 0 CA--C 1.513 -0.449 0 N-CA-C 109.021 -0.733 . . . . 15.0 109.021 172.162 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 31.3 m-80 -75.14 -62.21 1.63 Allowed 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 113.57 0.952 . . . . 15.0 113.57 -172.642 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -87.67 -1.57 58.04 Favored 'General case' 0 CA--C 1.513 -0.455 0 C-N-CA 118.009 -1.477 . . . . 15.0 112.796 -168.182 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 25.9 p -91.93 -29.78 16.47 Favored 'General case' 0 C--N 1.309 -1.185 0 CA-C-O 121.778 0.799 . . . . 15.0 109.688 163.05 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 453' ' ' ASP . . . . . . . . . . . . . 17.1 t70 54.76 75.35 0.3 Allowed 'General case' 0 C--O 1.231 0.109 0 CA-C-N 113.684 -1.598 . . . . 15.0 110.474 -174.225 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . 0.431 ' O ' ' HA ' ' A' ' 448' ' ' TYR . 12.6 pt-20 -144.73 142.5 30.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 114.887 -1.052 . . . . 15.0 109.961 178.302 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 15.0 m -120.88 120.79 36.53 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.11 -0.496 . . . . 15.0 109.952 -178.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 14.7 t -133.73 150.12 51.49 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.019 0.438 . . . . 15.0 111.036 -177.572 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 51.6 m95 -89.54 65.75 7.09 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.531 -0.544 . . . . 15.0 109.531 176.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -158.85 128.84 5.79 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.528 -0.76 . . . . 15.0 109.518 -178.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . 0.407 ' HA ' ' HD2' ' A' ' 460' ' ' PRO . 33.3 tttm -70.96 116.28 44.8 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 116.128 -0.487 . . . . 15.0 109.927 -177.708 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.949 ' HG2' ' HB3' ' A' ' 463' ' ' LEU . 11.1 Cg_endo -53.93 150.26 31.18 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 123.625 2.883 . . . . 15.0 112.657 -178.372 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -72.2 -20.09 61.63 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.518 -0.31 . . . . 15.0 111.433 -178.436 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.08 -21.22 33.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.489 0.662 . . . . 15.0 109.907 176.717 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.949 ' HB3' ' HG2' ' A' ' 460' ' ' PRO . 29.3 tp -119.98 30.77 6.84 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.184 -0.917 . . . . 15.0 109.269 -179.319 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.242 0.665 0 CA-C-N 115.362 -0.836 . . . . 15.0 110.542 -177.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.831 0 N-CA-C 111.566 -0.613 . . . . 15.0 111.566 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -69.5 105.69 2.72 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 108.933 -0.766 . . . . 15.0 108.933 173.229 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 430' ' ' THR . . . . . 0.501 ' HA ' ' OE1' ' A' ' 437' ' ' GLU . 1.6 p -46.56 99.4 0.02 OUTLIER 'General case' 0 C--O 1.234 0.24 0 N-CA-C 113.9 1.074 . . . . 15.0 113.9 -168.56 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . 62.73 97.24 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 114.989 -1.005 . . . . 15.0 112.303 175.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . 0.419 HG22 HD13 ' A' ' 463' ' ' LEU . 16.3 m -130.7 116.2 33.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 121.144 0.497 . . . . 15.0 110.776 177.694 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 3.8 m 59.59 -136.06 0.78 Allowed 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.757 -0.656 . . . . 15.0 111.147 175.391 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . 0.447 ' O ' ' HA ' ' A' ' 449' ' ' ASN . 9.6 mm-40 -42.62 -44.13 4.1 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 114.815 -1.084 . . . . 15.0 112.999 179.204 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 79.5 m95 -94.47 116.7 29.1 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.243 0.544 . . . . 15.0 111.675 -170.06 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 2.9 m -107.25 144.1 34.54 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.643 -0.708 . . . . 15.0 109.558 175.266 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . 0.501 ' OE1' ' HA ' ' A' ' 430' ' ' THR . 50.1 mt-10 -110.12 125.27 52.82 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.978 0.418 . . . . 15.0 111.354 -176.596 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . 0.457 ' O ' ' HA ' ' A' ' 445' ' ' THR . 77.7 m-85 -129.73 134.35 47.57 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.598 -0.728 . . . . 15.0 110.064 176.244 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 0.817 ' HD3' ' C ' ' A' ' 444' ' ' LYS . 4.9 tppp? -91.53 139.34 30.8 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.105 -0.498 . . . . 15.0 109.77 178.149 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 42.6 p -89.44 150.67 22.4 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.704 -0.68 . . . . 15.0 109.847 179.168 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -52.87 -19.72 2.75 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 112.925 0.713 . . . . 15.0 112.925 -178.642 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -89.07 2.75 53.62 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-O 121.381 0.61 . . . . 15.0 110.538 177.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . 0.452 ' C ' ' HD2' ' A' ' 439' ' ' LYS . . . 90.08 42.32 5.33 Favored Glycine 0 N--CA 1.45 -0.43 0 N-CA-C 115.99 1.156 . . . . 15.0 115.99 166.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.817 ' C ' ' HD3' ' A' ' 439' ' ' LYS . 4.3 mptt -148.24 153.9 39.35 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 117.992 0.896 . . . . 15.0 112.425 168.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . 0.529 HG23 ' HE3' ' A' ' 439' ' ' LYS . 1.0 OUTLIER -91.8 141.07 29.06 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.78 -0.645 . . . . 15.0 112.216 -177.297 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 54.1 p90 -114.45 141.24 47.94 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.873 -0.788 . . . . 15.0 108.873 172.409 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . 0.45 ' OH ' ' HE2' ' A' ' 459' ' ' LYS . 49.5 m-85 -97.1 123.52 40.87 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.192 -0.458 . . . . 15.0 110.418 -174.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . 0.477 ' CD2' ' HB3' ' A' ' 455' ' ' SER . 20.0 t80 -125.4 125.65 43.73 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.238 -0.437 . . . . 15.0 110.838 -173.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.521 ' HB3' ' HG2' ' A' ' 454' ' ' GLU . 46.3 t-20 -96.67 128.33 43.51 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.165 -1.05 . . . . 15.0 108.165 172.675 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 48.4 m-80 -78.98 -46.57 17.99 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 112.948 0.721 . . . . 15.0 112.948 -171.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 38.7 mtm180 -90.09 -1.7 57.99 Favored 'General case' 0 N--CA 1.463 0.194 0 C-N-CA 118.362 -1.335 . . . . 15.0 112.58 -173.728 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . 0.5 ' OG1' ' HB3' ' A' ' 449' ' ' ASN . 68.4 p -91.4 -34.46 14.85 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.712 0.768 . . . . 15.0 109.1 160.118 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 453' ' ' ASP . . . . . . . . . . . . . 30.6 t70 67.93 57.85 0.5 Allowed 'General case' 0 C--O 1.234 0.263 0 CA-C-N 113.569 -1.65 . . . . 15.0 109.925 -174.138 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . 0.521 ' HG2' ' HB3' ' A' ' 449' ' ' ASN . 13.0 pt-20 -127.78 145.77 50.81 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.055 -0.975 . . . . 15.0 110.277 -179.68 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . 0.477 ' HB3' ' CD2' ' A' ' 448' ' ' TYR . 15.3 p -121.65 121.66 37.86 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.195 -0.457 . . . . 15.0 110.056 177.297 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 13.2 t -134.01 150.14 51.23 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.21 0.529 . . . . 15.0 111.022 -177.592 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 87.2 m95 -100.15 2.13 42.73 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.939 -0.573 . . . . 15.0 110.293 178.049 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -100.96 132.9 46.15 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.226 -0.657 . . . . 15.0 109.226 177.534 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . 0.45 ' HE2' ' OH ' ' A' ' 447' ' ' TYR . 36.5 ttmt -75.56 118.34 70.15 Favored Pre-proline 0 C--N 1.324 -0.528 0 N-CA-C 112.746 0.647 . . . . 15.0 112.746 -168.237 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.624 ' HG2' ' HB3' ' A' ' 463' ' ' LEU . 2.0 Cg_endo -47.13 150.26 3.14 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 124.337 3.358 . . . . 15.0 112.904 172.079 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -63.07 -34.92 78.62 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.175 -0.466 . . . . 15.0 111.004 -178.636 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -79.81 -12.32 59.78 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.7 -0.682 . . . . 15.0 111.457 -177.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.624 ' HB3' ' HG2' ' A' ' 460' ' ' PRO . 21.6 tp -114.62 4.06 15.0 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.183 0.516 . . . . 15.0 110.125 -175.51 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . 0.441 ' HA ' ' CD ' ' A' ' 459' ' ' LYS . 4.6 ttmp? . . . . . 0 C--O 1.245 0.845 0 CA-C-O 118.348 -0.834 . . . . 15.0 110.097 -179.573 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.796 0 N-CA-C 112.179 -0.368 . . . . 15.0 112.179 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -167.38 146.74 5.11 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 110.1 -0.333 . . . . 15.0 110.1 -179.124 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 6.0 m -125.38 47.07 2.24 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.733 0.778 . . . . 15.0 109.822 177.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . 0.667 ' HA ' ' OE1' ' A' ' 434' ' ' GLU . . . -84.45 82.27 8.47 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.41 -0.814 . . . . 15.0 109.587 178.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 47.6 t -137.64 121.33 21.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.373 -0.83 . . . . 15.0 111.028 -178.063 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 41.9 m 63.64 25.39 14.27 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 112.998 0.74 . . . . 15.0 112.998 169.473 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . 0.667 ' OE1' ' HA ' ' A' ' 431' ' ' ALA . 5.4 pt-20 -89.01 -1.19 57.99 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.044 0.449 . . . . 15.0 110.55 176.369 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 70.3 m95 -105.51 126.63 52.34 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.469 -0.787 . . . . 15.0 110.677 -178.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 3.0 m -117.36 144.54 44.82 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.249 -0.432 . . . . 15.0 109.842 175.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -99.97 125.54 46.01 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.125 0.488 . . . . 15.0 110.379 -176.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . 0.456 ' HB2' ' CZ ' ' A' ' 446' ' ' TYR . 76.8 m-85 -122.39 150.02 43.0 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.717 -0.674 . . . . 15.0 109.684 177.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 0.834 ' HD2' ' N ' ' A' ' 444' ' ' LYS . 3.4 tppp? -103.71 136.13 43.98 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.872 0.368 . . . . 15.0 111.018 179.359 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . 0.492 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 20.6 p -89.95 150.26 22.24 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.998 -0.546 . . . . 15.0 109.841 173.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -63.92 -0.66 1.16 Allowed 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 113.464 0.913 . . . . 15.0 113.464 -174.51 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -96.25 1.52 52.17 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 122.021 -0.425 . . . . 15.0 110.133 175.313 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.01 54.7 2.12 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.947 -0.644 . . . . 15.0 112.674 177.618 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.834 ' N ' ' HD2' ' A' ' 439' ' ' LYS . 35.3 mttp -147.47 132.24 17.96 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 115.301 1.593 . . . . 15.0 115.301 -177.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . 0.65 HG23 ' HE3' ' A' ' 439' ' ' LYS . 0.7 OUTLIER -90.04 141.27 28.84 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 116.125 -0.489 . . . . 15.0 111.068 176.003 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . 0.461 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 51.8 p90 -140.82 148.72 41.02 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.791 -0.448 . . . . 15.0 109.791 178.646 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 57.1 m-85 -99.7 121.03 40.64 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.565 0.698 . . . . 15.0 111.043 -176.333 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 18.0 t80 -108.42 117.42 34.13 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 114.872 -1.058 . . . . 15.0 109.567 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.665 ' HB3' ' OG1' ' A' ' 452' ' ' THR . 39.2 t-20 -91.39 128.61 37.28 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 108.587 -0.894 . . . . 15.0 108.587 174.515 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 46.1 m-80 -72.1 -47.5 50.84 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 115.895 -0.593 . . . . 15.0 112.243 -175.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 78.1 mtm180 -90.1 -1.91 58.02 Favored 'General case' 0 C--N 1.332 -0.154 0 C-N-CA 118.818 -1.153 . . . . 15.0 112.596 -173.255 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . 0.665 ' OG1' ' HB3' ' A' ' 449' ' ' ASN . 81.3 p -91.12 -39.55 12.09 Favored 'General case' 0 CA--C 1.515 -0.4 0 N-CA-C 108.722 -0.844 . . . . 15.0 108.722 159.47 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 453' ' ' ASP . . . . . . . . . . . . . 31.2 t70 75.09 36.28 0.54 Allowed 'General case' 0 C--N 1.344 0.366 0 CA-C-N 113.334 -1.757 . . . . 15.0 109.518 -175.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . 0.536 ' HG2' ' OG1' ' A' ' 452' ' ' THR . 11.7 pt-20 -114.12 149.92 34.89 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.055 -0.52 . . . . 15.0 111.016 -178.164 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 5.1 m -119.52 114.54 22.42 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.852 -0.613 . . . . 15.0 109.787 176.451 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 7.0 t -140.49 150.18 43.43 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.153 0.501 . . . . 15.0 111.635 -177.438 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.528 ' HZ3' ' HB3' ' A' ' 444' ' ' LYS . 8.0 m95 -85.92 -3.27 58.88 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.454 -0.793 . . . . 15.0 109.975 178.824 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.7 140.6 35.51 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 108.319 -0.993 . . . . 15.0 108.319 -178.793 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . 0.465 ' HA ' ' HD2' ' A' ' 460' ' ' PRO . 42.9 tttm -84.49 116.99 67.65 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-O 120.898 0.38 . . . . 15.0 111.423 -169.568 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.833 ' HG2' ' HB3' ' A' ' 463' ' ' LEU . 9.4 Cg_endo -53.24 145.07 45.72 Favored 'Trans proline' 0 C--N 1.343 0.27 0 C-N-CA 123.589 2.859 . . . . 15.0 112.674 177.733 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 33.2 mm-40 -78.95 -15.84 57.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.309 -0.405 . . . . 15.0 111.661 -178.527 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -88.75 -16.54 31.93 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.395 0.616 . . . . 15.0 110.239 175.511 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.833 ' HB3' ' HG2' ' A' ' 460' ' ' PRO . 31.0 tp -119.88 35.06 4.97 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.147 -1.057 . . . . 15.0 108.147 176.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 85.7 tttt . . . . . 0 C--O 1.245 0.861 0 CA-C-N 114.882 -1.053 . . . . 15.0 110.731 -174.74 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.678 0 N-CA-C 111.485 -0.646 . . . . 15.0 111.485 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . 0.673 ' HB3' HD12 ' A' ' 463' ' ' LEU . . . -119.12 154.04 33.87 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.364 -0.606 . . . . 15.0 109.364 175.271 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 430' ' ' THR . . . . . 0.811 HG22 ' HA ' ' A' ' 433' ' ' SER . 5.1 m -94.78 -15.76 23.55 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.908 0.385 . . . . 15.0 110.965 -178.439 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . 0.7 ' HB3' ' HB2' ' A' ' 435' ' ' TRP . . . 44.43 74.99 0.11 Allowed 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.468 -0.787 . . . . 15.0 112.393 177.766 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 34.2 m 42.93 41.67 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 124.132 0.973 . . . . 15.0 112.434 -177.259 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . 0.811 ' HA ' HG22 ' A' ' 430' ' ' THR . 17.4 m 54.73 12.68 0.6 Allowed 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 113.095 -1.866 . . . . 15.0 113.746 -179.363 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . 0.771 ' HG2' HD21 ' A' ' 449' ' ' ASN . 20.7 tt0 -90.61 -36.06 14.63 Favored 'General case' 0 C--N 1.304 -1.373 0 CA-C-N 115.936 -0.575 . . . . 15.0 111.272 -176.295 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.7 ' HB2' ' HB3' ' A' ' 431' ' ' ALA . 89.7 m95 -117.57 148.45 41.89 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.896 -0.593 . . . . 15.0 111.043 -173.567 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 3.9 m -150.01 145.72 26.59 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.166 -0.679 . . . . 15.0 109.166 171.479 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . 0.419 ' HA ' ' O ' ' A' ' 446' ' ' TYR . 0.7 OUTLIER -112.41 127.65 56.08 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.508 0.671 . . . . 15.0 110.247 179.24 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . 0.52 ' O ' ' HA ' ' A' ' 445' ' ' THR . 98.9 m-85 -115.8 142.79 46.3 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.008 -0.542 . . . . 15.0 110.167 -178.104 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 0.764 ' HZ2' HG23 ' A' ' 445' ' ' THR . 0.0 OUTLIER -89.87 128.51 36.2 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.404 -0.591 . . . . 15.0 109.404 178.347 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 16.4 p -89.58 150.92 22.19 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 115.299 -0.864 . . . . 15.0 110.046 -178.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -47.81 -20.49 0.3 Allowed 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 113.336 0.865 . . . . 15.0 113.336 -178.69 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -81.17 -3.62 52.76 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 121.09 0.471 . . . . 15.0 111.049 177.055 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . 0.441 ' C ' ' HD2' ' A' ' 439' ' ' LYS . . . 90.22 40.31 5.82 Favored Glycine 0 N--CA 1.449 -0.49 0 N-CA-C 114.696 0.639 . . . . 15.0 114.696 171.791 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.759 ' C ' ' HD3' ' A' ' 439' ' ' LYS . 41.6 mmtm -145.32 153.68 41.52 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 117.648 0.724 . . . . 15.0 112.627 173.148 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . 0.764 HG23 ' HZ2' ' A' ' 439' ' ' LYS . 0.6 OUTLIER -92.83 140.58 29.36 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.854 -0.612 . . . . 15.0 111.248 176.701 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . 0.419 ' O ' ' HA ' ' A' ' 437' ' ' GLU . 43.1 p90 -122.23 143.81 49.36 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.603 -0.888 . . . . 15.0 108.603 176.386 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -90.04 114.44 26.32 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-O 121.332 0.587 . . . . 15.0 110.21 -174.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -110.88 122.22 47.32 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.326 -0.852 . . . . 15.0 111.031 -175.362 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.771 HD21 ' HG2' ' A' ' 434' ' ' GLU . 24.3 t-20 -95.26 127.48 41.34 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.339 -0.986 . . . . 15.0 108.339 169.597 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 41.9 m-80 -70.96 -48.23 54.55 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 112.852 0.686 . . . . 15.0 112.852 -172.251 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 77.9 mtm180 -90.48 -1.33 57.89 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 118.604 -1.238 . . . . 15.0 112.612 -171.659 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . 0.605 ' OG1' ' HB3' ' A' ' 449' ' ' ASN . 73.6 p -91.0 -38.48 12.8 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.594 0.711 . . . . 15.0 109.142 159.433 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 453' ' ' ASP . . . . . . . . . . . . . 31.9 t70 72.09 37.33 1.01 Allowed 'General case' 0 C--N 1.343 0.324 0 CA-C-N 113.683 -1.599 . . . . 15.0 109.384 -173.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -101.22 137.12 39.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.496 -0.774 . . . . 15.0 110.876 -179.267 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 18.6 m -106.49 105.44 15.48 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.221 -0.659 . . . . 15.0 109.221 173.249 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 15.3 t -120.87 150.05 41.65 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.87 0.367 . . . . 15.0 110.725 -175.102 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 78.8 m95 -105.16 5.68 32.47 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.106 0.479 . . . . 15.0 110.231 -179.361 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -97.87 134.32 41.17 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.24 -0.652 . . . . 15.0 109.24 177.591 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . 0.962 ' HD3' ' HA ' ' A' ' 464' ' ' LYS . 27.5 ttmt -75.79 118.87 74.21 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.012 0.434 . . . . 15.0 112.061 -173.292 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.5 ' HD2' ' HB3' ' A' ' 463' ' ' LEU . 14.3 Cg_exo -70.28 149.37 63.48 Favored 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 123.418 2.746 . . . . 15.0 111.852 176.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . 0.482 ' CD ' ' H ' ' A' ' 461' ' ' GLN . 3.3 pm0 -67.3 -19.16 65.44 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.106 -0.497 . . . . 15.0 112.211 -176.28 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -91.79 -8.16 47.51 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.81 0.338 . . . . 15.0 110.827 176.702 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.673 HD12 ' HB3' ' A' ' 429' ' ' ALA . 32.1 tp -119.81 9.11 11.25 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.25 -0.432 . . . . 15.0 110.948 -176.259 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . 0.962 ' HA ' ' HD3' ' A' ' 459' ' ' LYS . 1.1 pptp? . . . . . 0 C--O 1.248 0.994 0 CA-C-O 119.089 -0.482 . . . . 15.0 112.059 -177.425 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.759 0 N-CA-C 112.239 -0.344 . . . . 15.0 112.239 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -97.83 145.27 26.57 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.753 0.311 . . . . 15.0 110.643 179.526 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 11.2 t 179.64 -20.48 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.901 -0.59 . . . . 15.0 110.596 -178.635 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . 0.404 ' HB2' HD13 ' A' ' 463' ' ' LEU . . . 61.78 110.97 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 115.337 -0.847 . . . . 15.0 111.195 -176.133 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 5.2 t -82.43 47.96 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 122.245 1.021 . . . . 15.0 110.701 -176.134 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 49.2 m 50.82 15.93 0.28 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 113.709 -1.587 . . . . 15.0 113.249 -179.075 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -90.29 -21.28 22.14 Favored 'General case' 0 C--N 1.311 -1.1 0 CA-C-N 115.442 -0.799 . . . . 15.0 110.391 178.474 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 92.0 m95 -107.58 112.39 25.1 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.526 -0.761 . . . . 15.0 109.78 177.154 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 8.9 m -110.86 149.55 30.44 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.235 -0.439 . . . . 15.0 110.494 -178.598 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . 0.405 ' HG2' ' CE1' ' A' ' 447' ' ' TYR . 40.1 mt-10 -103.1 134.74 46.02 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.236 -0.438 . . . . 15.0 111.045 -179.572 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . 0.48 ' O ' ' HA ' ' A' ' 445' ' ' THR . 72.6 m-85 -128.57 124.84 36.97 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.867 -0.79 . . . . 15.0 108.867 171.549 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 0.801 ' HD3' ' C ' ' A' ' 444' ' ' LYS . 4.9 tppp? -89.79 121.99 32.45 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.996 0.427 . . . . 15.0 110.072 -177.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 3.3 p -89.85 150.42 22.23 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.786 -0.643 . . . . 15.0 110.12 178.011 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -48.41 -19.56 0.32 Allowed 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 114.263 1.209 . . . . 15.0 114.263 -175.216 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -74.33 -4.28 35.37 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.167 0.508 . . . . 15.0 110.381 177.436 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.2 37.38 6.71 Favored Glycine 0 N--CA 1.445 -0.705 0 CA-C-N 115.617 -0.72 . . . . 15.0 114.302 172.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.801 ' C ' ' HD3' ' A' ' 439' ' ' LYS . 29.8 mtmm -152.1 156.98 40.95 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 117.247 0.523 . . . . 15.0 112.299 173.011 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . 0.496 ' N ' ' HD3' ' A' ' 439' ' ' LYS . 18.9 p -92.54 139.01 31.02 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.717 -0.674 . . . . 15.0 111.304 177.77 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . 0.409 ' CE1' ' HB2' ' A' ' 438' ' ' TYR . 53.3 p90 -103.81 140.14 38.06 Favored 'General case' 0 N--CA 1.446 -0.641 0 N-CA-C 108.197 -1.038 . . . . 15.0 108.197 169.272 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . 0.405 ' CE1' ' HG2' ' A' ' 437' ' ' GLU . 53.4 m-85 -89.81 118.38 29.35 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-O 121.536 0.684 . . . . 15.0 110.712 -173.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 36.9 t80 -112.89 117.92 33.45 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 114.86 -1.063 . . . . 15.0 110.001 -175.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.501 ' HB3' ' OG1' ' A' ' 452' ' ' THR . 22.9 t-20 -90.07 129.56 36.36 Favored 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 108.525 -0.917 . . . . 15.0 108.525 174.442 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 52.5 m-80 -78.41 -46.51 19.68 Favored 'General case' 0 C--N 1.311 -1.07 0 N-CA-C 112.466 0.543 . . . . 15.0 112.466 -174.363 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 22.0 mtm180 -90.78 -1.66 57.84 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 118.409 -1.316 . . . . 15.0 113.017 -172.008 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . 0.501 ' OG1' ' HB3' ' A' ' 449' ' ' ASN . 73.0 p -91.55 -38.54 12.44 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 122.027 0.918 . . . . 15.0 109.184 159.016 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 453' ' ' ASP . . . . . . . . . . . . . 19.6 t70 69.47 71.46 0.25 Allowed 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 112.887 -1.961 . . . . 15.0 109.946 -171.181 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . 0.44 ' HG2' ' OG1' ' A' ' 452' ' ' THR . 12.3 pt-20 -144.32 149.97 37.07 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.476 -0.784 . . . . 15.0 111.099 179.616 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 8.9 m -116.84 117.04 28.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.066 -0.515 . . . . 15.0 110.347 177.017 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 9.9 t -133.07 146.4 51.64 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 110.211 -0.292 . . . . 15.0 110.211 -179.753 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 90.4 m95 -92.16 -3.61 55.37 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.871 0.367 . . . . 15.0 111.024 -179.667 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -92.09 143.3 26.6 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.82 -0.437 . . . . 15.0 109.82 178.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . 0.504 ' HE2' ' O ' ' A' ' 463' ' ' LEU . 64.2 tttt -74.31 120.56 82.04 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-N 116.158 -0.474 . . . . 15.0 111.226 -173.712 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.582 ' HG2' ' HB3' ' A' ' 463' ' ' LEU . 6.8 Cg_endo -51.82 144.56 34.69 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 123.93 3.086 . . . . 15.0 112.819 176.632 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . 0.511 ' H ' ' NE2' ' A' ' 461' ' ' GLN . 0.3 OUTLIER -64.81 -21.68 66.83 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 116.118 -0.492 . . . . 15.0 111.889 -178.869 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -88.43 -2.07 58.4 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.409 -0.359 . . . . 15.0 111.331 179.181 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.582 ' HB3' ' HG2' ' A' ' 460' ' ' PRO . 54.5 tp -120.29 3.21 10.85 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 111.639 0.237 . . . . 15.0 111.639 -177.61 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . 0.462 ' HD2' ' HD3' ' A' ' 459' ' ' LYS . 13.9 mmmm . . . . . 0 C--O 1.251 1.151 0 CA-C-O 117.959 -1.02 . . . . 15.0 111.664 -175.341 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.804 0 N-CA-C 112.619 -0.193 . . . . 15.0 112.619 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -91.58 142.43 27.64 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.922 0.361 . . . . 15.0 110.239 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 430' ' ' THR . . . . . 0.445 ' H ' ' CD ' ' A' ' 437' ' ' GLU . 0.3 OUTLIER -94.46 -31.52 13.92 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.59 0.709 . . . . 15.0 109.948 -179.031 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . 0.43 ' HA ' ' HA ' ' A' ' 436' ' ' THR . . . 52.84 77.65 0.16 Allowed 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 113.855 -1.52 . . . . 15.0 110.629 -175.576 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . 0.856 HG11 HD13 ' A' ' 463' ' ' LEU . 3.0 p -75.54 92.32 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.585 0.707 . . . . 15.0 110.107 178.156 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 21.9 t 62.01 -135.79 0.52 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.313 -0.858 . . . . 15.0 109.902 -179.279 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . 0.426 ' H ' ' HG2' ' A' ' 434' ' ' GLU . 9.3 pt-20 -64.13 -10.63 23.84 Favored 'General case' 0 C--N 1.305 -1.339 0 CA-C-N 114.599 -1.182 . . . . 15.0 113.081 178.621 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.509 ' HB2' HG13 ' A' ' 432' ' ' VAL . 89.1 m95 -103.56 129.23 50.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.763 0.316 . . . . 15.0 110.821 -179.283 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.43 ' HA ' ' HA ' ' A' ' 431' ' ' ALA . 3.9 m -120.91 145.84 47.25 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.753 -0.462 . . . . 15.0 109.753 175.357 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . 0.445 ' CD ' ' H ' ' A' ' 430' ' ' THR . 0.9 OUTLIER -111.38 130.05 55.81 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.411 0.624 . . . . 15.0 111.081 -177.545 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 84.6 m-85 -125.45 144.28 50.6 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.588 -0.733 . . . . 15.0 109.63 179.015 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 0.809 ' HD2' ' N ' ' A' ' 444' ' ' LYS . 0.0 OUTLIER -105.87 136.97 44.56 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.015 0.436 . . . . 15.0 110.965 -178.855 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 14.1 p -89.84 150.21 22.33 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.637 -0.711 . . . . 15.0 109.471 172.399 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -66.02 -1.68 3.33 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 113.261 0.838 . . . . 15.0 113.261 -171.624 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 30.5 p-10 -96.02 5.32 51.44 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.98 0.419 . . . . 15.0 110.629 179.384 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.07 51.23 2.85 Favored Glycine 0 N--CA 1.452 -0.292 0 CA-C-N 115.953 -0.567 . . . . 15.0 113.016 175.338 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.809 ' N ' ' HD2' ' A' ' 439' ' ' LYS . 23.0 mtmm -150.93 130.84 13.3 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 115.023 1.49 . . . . 15.0 115.023 178.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . 0.406 ' HA ' ' HA ' ' A' ' 439' ' ' LYS . 0.2 OUTLIER -98.47 150.18 21.93 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-O 121.078 0.466 . . . . 15.0 110.62 175.605 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . 0.444 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 55.0 p90 -139.31 145.11 38.69 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.508 -0.769 . . . . 15.0 109.25 -179.717 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -102.79 120.37 40.46 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.458 0.647 . . . . 15.0 111.02 -173.563 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 39.9 t80 -110.04 122.13 46.88 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.034 -0.985 . . . . 15.0 110.33 -179.501 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.671 ' HB3' ' OG1' ' A' ' 452' ' ' THR . 23.3 t-20 -89.93 128.03 36.14 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.868 -0.79 . . . . 15.0 108.868 173.752 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 44.8 m-80 -73.18 -43.32 61.61 Favored 'General case' 0 C--N 1.314 -0.938 0 N-CA-C 112.472 0.545 . . . . 15.0 112.472 -175.173 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 65.0 mtm180 -90.18 -1.9 58.0 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 118.61 -1.236 . . . . 15.0 112.416 -172.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . 0.671 ' OG1' ' HB3' ' A' ' 449' ' ' ASN . 68.9 p -91.55 -40.31 11.43 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.486 0.66 . . . . 15.0 109.718 159.47 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 453' ' ' ASP . . . . . . . . . . . . . 33.1 t70 75.52 37.46 0.43 Allowed 'General case' 0 C--N 1.344 0.335 0 CA-C-N 113.455 -1.702 . . . . 15.0 109.551 -172.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . 0.611 ' HG2' ' OG1' ' A' ' 452' ' ' THR . 14.0 pt-20 -117.96 137.5 52.8 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.885 -0.598 . . . . 15.0 111.015 178.535 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 17.0 p -112.22 118.66 35.92 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.963 -0.562 . . . . 15.0 110.078 176.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 9.0 t -130.4 150.06 51.79 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.983 0.42 . . . . 15.0 111.145 -176.166 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.541 ' HZ3' ' HB3' ' A' ' 444' ' ' LYS . 56.8 m95 -90.58 -2.22 57.88 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.279 0.561 . . . . 15.0 109.643 177.664 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -93.67 141.01 28.97 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.307 -0.861 . . . . 15.0 109.399 -176.012 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . 0.74 ' HD3' ' HA ' ' A' ' 464' ' ' LYS . 19.9 ttmm -75.69 119.02 75.21 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-O 120.968 0.413 . . . . 15.0 111.934 -173.431 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 459' ' ' LYS . 15.7 Cg_exo -69.1 149.3 70.95 Favored 'Trans proline' 0 C--N 1.343 0.258 0 C-N-CA 123.021 2.481 . . . . 15.0 111.306 175.242 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 59.3 tp60 -61.26 -32.46 72.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.52 -0.309 . . . . 15.0 111.525 -177.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -73.05 -11.77 60.67 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.996 0.427 . . . . 15.0 111.06 178.608 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.856 HD13 HG11 ' A' ' 432' ' ' VAL . 22.1 tp -119.99 22.54 11.44 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.137 0.494 . . . . 15.0 109.892 -179.036 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . 0.74 ' HA ' ' HD3' ' A' ' 459' ' ' LYS . 51.4 tptt . . . . . 0 C--O 1.251 1.155 0 CA-C-N 115.599 -0.728 . . . . 15.0 110.674 177.584 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.505 0 N-CA-C 112.74 -0.144 . . . . 15.0 112.74 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . 0.414 ' O ' HD12 ' A' ' 463' ' ' LEU . . . -148.23 163.11 38.01 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.109 -0.7 . . . . 15.0 109.109 176.424 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 25.3 m -59.59 119.72 8.08 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.852 0.358 . . . . 15.0 110.573 -179.582 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . 0.49 ' O ' ' HG2' ' A' ' 434' ' ' GLU . . . -78.83 67.38 4.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.969 -0.56 . . . . 15.0 111.81 -175.714 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 2.7 t 43.45 39.01 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 CA-C-O 122.619 1.199 . . . . 15.0 112.123 175.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 23.0 t 43.87 19.39 0.02 OUTLIER 'General case' 0 C--N 1.308 -1.198 0 CA-C-N 112.754 -2.021 . . . . 15.0 114.183 -176.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . 0.49 ' HG2' ' O ' ' A' ' 431' ' ' ALA . 13.5 pt-20 -90.46 -24.55 20.68 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-O 121.101 0.477 . . . . 15.0 110.746 179.624 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.426 ' HB2' ' HB3' ' A' ' 431' ' ' ALA . 94.0 m95 -107.02 124.19 49.28 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.518 -0.765 . . . . 15.0 109.837 175.325 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 2.8 m -122.22 144.68 48.82 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.217 -0.66 . . . . 15.0 109.217 174.282 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -95.77 150.11 20.76 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 121.48 0.657 . . . . 15.0 109.362 178.276 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -137.24 150.12 47.63 Favored 'General case' 0 C--N 1.305 -1.342 0 CA-C-N 114.702 -1.136 . . . . 15.0 108.129 178.465 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 0.935 ' HD2' ' H ' ' A' ' 444' ' ' LYS . 0.1 OUTLIER -119.25 136.18 54.34 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.007 0.432 . . . . 15.0 111.618 -173.585 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . 0.56 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 21.9 p -89.81 150.27 22.32 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.671 -0.695 . . . . 15.0 109.462 172.041 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -58.12 -14.96 7.86 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 113.572 0.953 . . . . 15.0 113.572 -172.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -89.78 0.63 56.89 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 122.078 -0.389 . . . . 15.0 111.481 -179.307 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.91 73.58 1.27 Allowed Glycine 0 C--O 1.23 -0.112 0 C-N-CA 120.757 -0.735 . . . . 15.0 112.383 177.09 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.935 ' H ' ' HD2' ' A' ' 439' ' ' LYS . 37.9 mttp -154.99 129.45 9.1 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 115.641 1.719 . . . . 15.0 115.641 -176.379 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 5.4 p -90.21 138.22 31.7 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 115.642 -0.708 . . . . 15.0 111.615 176.34 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 50.8 p90 -146.22 138.67 25.32 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 108.666 -0.864 . . . . 15.0 108.666 170.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 53.9 m-85 -105.26 126.31 51.96 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.376 0.607 . . . . 15.0 111.393 -170.122 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . 0.731 ' CD2' ' HB3' ' A' ' 455' ' ' SER . 19.0 t80 -111.92 124.43 52.35 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.024 -0.989 . . . . 15.0 109.734 -177.204 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.693 ' HB3' ' OG1' ' A' ' 452' ' ' THR . 20.4 t-20 -96.79 125.71 41.43 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 108.496 -0.927 . . . . 15.0 108.496 174.43 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 59.5 m-80 -74.6 -43.2 56.71 Favored 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 112.551 0.575 . . . . 15.0 112.551 -172.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 61.5 mtm180 -89.84 -2.05 58.12 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 118.994 -1.082 . . . . 15.0 112.604 -173.631 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . 0.693 ' OG1' ' HB3' ' A' ' 449' ' ' ASN . 77.2 p -91.16 -35.37 14.59 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.503 0.668 . . . . 15.0 109.207 159.211 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 453' ' ' ASP . . . . . . . . . . . . . 35.5 t70 76.17 25.14 1.07 Allowed 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 113.363 -1.744 . . . . 15.0 110.011 -175.186 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . 0.645 ' HG2' ' OG1' ' A' ' 452' ' ' THR . 10.5 pt-20 -114.35 144.94 42.46 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.164 0.507 . . . . 15.0 111.18 -177.443 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . 0.731 ' HB3' ' CD2' ' A' ' 448' ' ' TYR . 22.1 p -117.05 126.87 53.52 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.796 -0.638 . . . . 15.0 110.278 176.843 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 12.5 t -128.02 150.08 50.08 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.017 0.437 . . . . 15.0 110.688 -179.598 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.447 ' HZ3' ' HB3' ' A' ' 444' ' ' LYS . 74.9 m95 -92.39 -1.43 57.03 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.317 0.58 . . . . 15.0 110.152 178.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -90.57 148.42 22.7 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.574 -0.739 . . . . 15.0 109.651 178.523 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 59.8 tttp -80.81 114.54 49.1 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-N 116.559 -0.291 . . . . 15.0 110.232 -179.234 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_exo -59.57 148.63 86.52 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 123.668 2.912 . . . . 15.0 113.033 -176.37 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . 0.48 ' HA ' ' HB2' ' A' ' 464' ' ' LYS . 9.5 mm100 -63.52 -30.68 71.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.833 -0.621 . . . . 15.0 111.693 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -78.6 -6.73 56.4 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.128 0.49 . . . . 15.0 110.825 178.645 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.434 ' O ' ' HG ' ' A' ' 463' ' ' LEU . 34.4 tp -120.0 9.65 11.27 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.694 -0.684 . . . . 15.0 109.317 178.171 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . 0.48 ' HB2' ' HA ' ' A' ' 461' ' ' GLN . 16.3 tptp . . . . . 0 C--O 1.248 1.002 0 CA-C-N 115.627 -0.715 . . . . 15.0 111.342 -171.349 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.849 0 N-CA-C 112.065 -0.414 . . . . 15.0 112.065 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . 0.501 ' HA ' ' HB2' ' A' ' 437' ' ' GLU . . . -157.81 90.72 1.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.923 0.392 . . . . 15.0 110.193 176.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 2.3 m -97.96 134.5 40.99 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.278 -0.419 . . . . 15.0 110.787 -178.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -97.22 80.81 2.95 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.669 -0.493 . . . . 15.0 109.669 172.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 2.9 p -87.83 91.78 3.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.506 0.67 . . . . 15.0 110.327 -179.322 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 5.2 m 56.62 -134.46 1.29 Allowed 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.453 -0.794 . . . . 15.0 110.521 179.555 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . 0.479 ' O ' ' HA ' ' A' ' 449' ' ' ASN . 56.9 mm-40 -50.33 -32.31 16.82 Favored 'General case' 0 C--N 1.306 -1.292 0 CA-C-N 114.994 -1.003 . . . . 15.0 113.35 178.777 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.427 ' CD2' ' HB2' ' A' ' 449' ' ' ASN . 79.0 m95 -101.64 126.95 48.56 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.981 0.42 . . . . 15.0 111.378 -172.3 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 6.4 m -118.77 148.0 43.29 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.299 -0.41 . . . . 15.0 110.026 176.002 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . 0.501 ' HB2' ' HA ' ' A' ' 429' ' ' ALA . 46.3 mt-10 -91.63 132.81 36.07 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.44 -0.345 . . . . 15.0 111.32 -179.279 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . 0.484 ' O ' ' HA ' ' A' ' 445' ' ' THR . 87.9 m-85 -129.6 128.65 43.11 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.342 -0.614 . . . . 15.0 109.342 172.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 0.783 ' HD3' ' C ' ' A' ' 444' ' ' LYS . 4.4 tppp? -96.64 131.75 42.98 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.139 0.495 . . . . 15.0 111.041 -174.116 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 9.0 p -89.93 150.55 22.12 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.686 -0.688 . . . . 15.0 109.381 174.639 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -53.66 -16.06 1.47 Allowed 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 113.931 1.085 . . . . 15.0 113.931 -171.738 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . 0.447 ' OD2' ' HE2' ' A' ' 444' ' ' LYS . 9.3 p-10 -81.15 0.75 34.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.201 0.524 . . . . 15.0 110.257 177.72 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . 0.48 ' C ' ' HD2' ' A' ' 439' ' ' LYS . . . 90.24 40.12 5.86 Favored Glycine 0 N--CA 1.449 -0.498 0 CA-C-N 115.574 -0.739 . . . . 15.0 114.323 170.303 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.783 ' C ' ' HD3' ' A' ' 439' ' ' LYS . 35.0 mtmt -148.69 150.76 33.74 Favored 'General case' 0 N--CA 1.468 0.475 0 N-CA-C 113.239 0.829 . . . . 15.0 113.239 173.472 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . 0.504 ' N ' ' HD3' ' A' ' 439' ' ' LYS . 2.0 p -97.33 141.97 29.77 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.497 -0.774 . . . . 15.0 112.237 -178.752 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 53.3 p90 -111.5 143.62 42.06 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.759 -0.83 . . . . 15.0 108.759 169.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . 0.441 ' CE1' ' HG2' ' A' ' 437' ' ' GLU . 42.3 m-85 -90.01 118.25 29.42 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.894 0.378 . . . . 15.0 110.646 -174.566 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 32.9 t80 -114.12 119.56 37.53 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.596 -0.729 . . . . 15.0 110.452 -175.476 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.571 ' HB3' ' OG1' ' A' ' 452' ' ' THR . 35.0 t-20 -94.5 133.62 37.92 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.697 -0.853 . . . . 15.0 108.697 175.388 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 50.7 m-80 -73.45 -53.94 9.47 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 112.964 0.727 . . . . 15.0 112.964 -174.721 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 38.8 mtm180 -90.17 -1.01 57.89 Favored 'General case' 0 N--CA 1.462 0.131 0 C-N-CA 118.729 -1.189 . . . . 15.0 112.469 -171.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . 0.579 ' OG1' ' HG2' ' A' ' 454' ' ' GLU . 71.4 p -91.14 -36.98 13.66 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.725 -0.843 . . . . 15.0 108.725 159.083 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 453' ' ' ASP . . . . . . . . . . . . . 13.5 t70 68.47 45.95 1.08 Allowed 'General case' 0 C--N 1.338 0.099 0 CA-C-N 113.76 -1.564 . . . . 15.0 110.025 -178.163 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . 0.579 ' HG2' ' OG1' ' A' ' 452' ' ' THR . 13.1 pt-20 -129.88 144.82 51.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.523 -0.762 . . . . 15.0 110.747 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 48.5 p -112.18 123.54 50.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.972 -0.558 . . . . 15.0 110.544 178.479 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 10.0 t -119.86 150.11 40.98 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.084 0.469 . . . . 15.0 110.313 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 88.1 m95 -100.54 -1.44 35.57 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.967 -0.56 . . . . 15.0 110.377 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -109.82 150.84 27.79 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.828 -0.624 . . . . 15.0 109.364 175.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -59.24 130.18 86.93 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.345 0.593 . . . . 15.0 112.599 -175.222 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -61.09 150.25 85.22 Favored 'Trans proline' 0 C--O 1.234 0.281 0 C-N-CA 123.56 2.84 . . . . 15.0 111.969 174.669 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . 0.492 ' OE1' ' HE3' ' A' ' 464' ' ' LYS . 18.6 mm-40 -56.07 -32.55 64.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 15.0 111.66 -177.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -80.41 -10.16 59.75 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.321 -0.4 . . . . 15.0 111.835 -179.416 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 29.5 tp -106.17 0.2 25.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.121 0.486 . . . . 15.0 110.666 -177.186 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . 0.492 ' HE3' ' OE1' ' A' ' 461' ' ' GLN . 2.2 pptp? . . . . . 0 C--O 1.248 0.983 0 CA-C-O 118.463 -0.78 . . . . 15.0 110.037 178.565 . . . . . . . . 1 1 . 1 stop_ save_